Phase and structural behavior of SmAlO{sub 3}–RAlO{sub 3} (R = Eu, Gd) systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ohon, N.; Vasylechko, L., E-mail: crystal-lov@polynet.lviv.ua; Prots, Yu.

2014-02-01

Highlights: • Continuous solid solutions exist in the SmAlO{sub 3}–RAlO{sub 3} (R = Eu, Gd) systems. • Lattice parameter crossover was found in solid solutions Sm{sub 1−x}R{sub x}AlO{sub 3} (R = Eu, Gd). • Thermally induced lattice crossovers occur in Sm{sub 0.9}R{sub 0.1}AlO{sub 3} at elevated temperatures. • First-order structural phase transition Pbnm↔R3{sup ¯}c was found in Sm{sub 1−x}R{sub x}AlO{sub 3} (R = Eu, Gd). • Phase diagram of the systems SmAlO{sub 3}–EuAlO{sub 3} and SmAlO{sub 3}–GdAlO{sub 3} has been constructed. - Abstract: Phase and structural behavior in the SmAlO{sub 3}–RAlO{sub 3} (R = Eu, Gd) systems has been studiedmore » in a whole concentration range by means of laboratory X-ray diffraction, in situ synchrotron powder diffraction and differential thermal analysis techniques. Continuous solid solutions with orthorhombic perovskite structure have been found in both systems. Peculiarity of the solid solutions of Sm{sub 1−x}Eu{sub x}AlO{sub 3} and Sm{sub 1−x}Gd{sub x}AlO{sub 3} is the existence of two lattice parameter crossovers in each system occurred at x{sub Eu} = 0.07 and 0.62 and at x{sub Gd} = 0.04 and 0.33, respectively. The temperature induced lattice crossovers in the Sm{sub 0.9}Eu{sub 0.1}AlO{sub 3} and Sm{sub 0.9}Gd{sub 0.1}AlO{sub 3} samples have been found at 387 and 922 K and at 501 and 894 K. First-order reversible structural phase transformations Pbnm↔R3{sup ¯}c have been detected in both systems at the elevated temperatures. The temperatures of these transitions increase linearly with the decreasing of the samarium content. Phase diagrams of the pseudo-binary systems SmAlO{sub 3}–EuAlO{sub 3} and SmAlO{sub 3}–GdAlO{sub 3} have been constructed.« less

Triclinic lysozyme at 0.65 angstrom resolution.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, J.; Dauter, M.; Alkire, R.

The crystal structure of triclinic hen egg-white lysozyme (HEWL) has been refined against diffraction data extending to 0.65 {angstrom} resolution measured at 100 K using synchrotron radiation. Refinement with anisotropic displacement parameters and with the removal of stereochemical restraints for the well ordered parts of the structure converged with a conventional R factor of 8.39% and an R{sub free} of 9.52%. The use of full-matrix refinement provided an estimate of the variances in the derived parameters. In addition to the 129-residue protein, a total of 170 water molecules, nine nitrate ions, one acetate ion and three ethylene glycol molecules weremore » located in the electron-density map. Eight sections of the main chain and many side chains were modeled with alternate conformations. The occupancies of the water sites were refined and this step is meaningful when assessed by use of the free R factor. A detailed description and comparison of the structure are made with reference to the previously reported triclinic HEWL structures refined at 0.925 {angstrom} (at the low temperature of 120 K) and at 0.95 {angstrom} resolution (at room temperature).« less

Abiotic Factors Affecting Benthic Invertebrate Biomass and Community Structure in a Fourth-Order Rocky Mountain Watershed

NASA Astrophysics Data System (ADS)

Chanat, J. G.; Clements, W. H.; MacDonald, L. H.

2005-05-01

The potential ecological impact of excess streambed sediment resulting from forest management activities is a persistent concern for land managers. This study examined the relationship between streambed sediment, along with other site- and reach-scale abiotic factors, and benthic macroinvertebrate community structure in a 272 km2 basin in the Colorado Front Range. Physical habitat parameters and invertebrates were sampled in late summer at 68 sites located in sixteen stream reaches. Invertebrate data were used to formulate twenty indices of community structure. Multiple regression identified site-level substrate particle size as the most important predictor of six indices, including total density (R2 = 0.22), biomass (R2 = 0.17), and taxa richness (R2 = 0.32). All of the remaining fourteen indices were most strongly predicted by reach-level variables, including discharge (percent shredders, R2 = 0.24; Plecoptera density, R2 = 0.29), and elevation (percent collector-filterers, R2 = 0.28; Trichoptera density, R2 = 0.37). Although the sites represented a wide range of substrate composition and embeddedness, no physical variable associated with fine sediment appeared as a strong predictor of any of the twenty indices. Thus, sediment is not among the most important factors associated with site-to-site variability of benthic community structure in this relatively pristine watershed.

The link between diffusion MRI and tumor heterogeneity: Mapping cell eccentricity and density by diffusional variance decomposition (DIVIDE).

PubMed

Szczepankiewicz, Filip; van Westen, Danielle; Englund, Elisabet; Westin, Carl-Fredrik; Ståhlberg, Freddy; Lätt, Jimmy; Sundgren, Pia C; Nilsson, Markus

2016-11-15

The structural heterogeneity of tumor tissue can be probed by diffusion MRI (dMRI) in terms of the variance of apparent diffusivities within a voxel. However, the link between the diffusional variance and the tissue heterogeneity is not well-established. To investigate this link we test the hypothesis that diffusional variance, caused by microscopic anisotropy and isotropic heterogeneity, is associated with variable cell eccentricity and cell density in brain tumors. We performed dMRI using a novel encoding scheme for diffusional variance decomposition (DIVIDE) in 7 meningiomas and 8 gliomas prior to surgery. The diffusional variance was quantified from dMRI in terms of the total mean kurtosis (MK T ), and DIVIDE was used to decompose MK T into components caused by microscopic anisotropy (MK A ) and isotropic heterogeneity (MK I ). Diffusion anisotropy was evaluated in terms of the fractional anisotropy (FA) and microscopic fractional anisotropy (μFA). Quantitative microscopy was performed on the excised tumor tissue, where structural anisotropy and cell density were quantified by structure tensor analysis and cell nuclei segmentation, respectively. In order to validate the DIVIDE parameters they were correlated to the corresponding parameters derived from microscopy. We found an excellent agreement between the DIVIDE parameters and corresponding microscopy parameters; MK A correlated with cell eccentricity (r=0.95, p<10 -7 ) and MK I with the cell density variance (r=0.83, p<10 -3 ). The diffusion anisotropy correlated with structure tensor anisotropy on the voxel-scale (FA, r=0.80, p<10 -3 ) and microscopic scale (μFA, r=0.93, p<10 -6 ). A multiple regression analysis showed that the conventional MK T parameter reflects both variable cell eccentricity and cell density, and therefore lacks specificity in terms of microstructure characteristics. However, specificity was obtained by decomposing the two contributions; MK A was associated only to cell eccentricity, and MK I only to cell density variance. The variance in meningiomas was caused primarily by microscopic anisotropy (mean±s.d.) MK A =1.11±0.33 vs MK I =0.44±0.20 (p<10 -3 ), whereas in the gliomas, it was mostly caused by isotropic heterogeneity MK I =0.57±0.30 vs MK A =0.26±0.11 (p<0.05). In conclusion, DIVIDE allows non-invasive mapping of parameters that reflect variable cell eccentricity and density. These results constitute convincing evidence that a link exists between specific aspects of tissue heterogeneity and parameters from dMRI. Decomposing effects of microscopic anisotropy and isotropic heterogeneity facilitates an improved interpretation of tumor heterogeneity as well as diffusion anisotropy on both the microscopic and macroscopic scale. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

Refinement of the crystal structures of biomimetic weddellites produced by microscopic fungus Aspergillus niger

NASA Astrophysics Data System (ADS)

Rusakov, A. V.; Frank-Kamenetskaya, O. V.; Gurzhiy, V. V.; Zelenskaya, M. S.; Izatulina, A. R.; Sazanova, K. V.

2014-05-01

The single-crystal structures of four biomimetic weddellites CaC2O4 · (2 + x)H2O with different contents of zeolitic water ( x = 0.10-0.24 formula units) produced by the microscopic fungus Aspergillus niger were refined from X-ray diffraction data ( R = 0.029-0.038). The effect of zeolitic water content on the structural stability of weddellite was analyzed. The parameter a was shown to increase with increasing x due to the increase in the distance between water molecules along this direction. The water content and structural parameters of the synthesized weddellites are similar to those of weddellites from biofilms and kidney stones.

Femoral anteversion and tibial torsion only explain 25% of variance in regression analysis of foot progression angle in children with diplegic cerebral palsy

PubMed Central

2013-01-01

Background The relationship between torsional bony deformities and rotational gait parameters has not been sufficiently investigated. This study was to investigate the degree of contribution of torsional bony deformities to rotational gait parameters in patients with diplegic cerebral palsy (CP). Methods Thirty three legs from 33 consecutive ambulatory patients (average age 9.5 years, SD 6.9 years; 20 males and 13 females) with diplegic CP who underwent preoperative three dimensional gait analysis, foot radiographs, and computed tomography (CT) were included. Adjusted foot progression angle (FPA) was retrieved from gait analysis by correcting pelvic rotation from conventional FPA, which represented the rotational gait deviation of the lower extremity from the tip of the femoral head to the foot. Correlations between rotational gait parameters (FPA, adjusted FPA, average pelvic rotation, average hip rotation, and average knee rotation) and radiologic measurements (acetabular version, femoral anteversion, knee torsion, tibial torsion, and anteroposteriortalo-first metatarsal angle) were analyzed. Multiple regression analysis was performed to identify significant contributing radiographic measurements to adjusted FPA. Results Adjusted FPA was significantly correlated with FPA (r=0.837, p<0.001), contralateral FPA (r=0.492, p=0.004), pelvic rotation during gait (r=−0.489, p=0.004), knee rotation during gait (r=0.376, p=0.031), and femoral anteversion (r=0.350, p=0.046). In multiple regression analysis, femoral anteversion (p=0.026) and tibial torsion (p=0.034) were found to be the significant contributing structural deformities to the adjusted FPA (R2=0.247). Conclusions Femoral anteversion and tibial torsion were found to be the significant structural deformities that could affect adjusted FPA in patients with diplegic CP. Femoral anteversion and tibial torsion could explain only 24.7% of adjusted FPA. PMID:23767833

Quantitative correlational study of microbubble-enhanced ultrasound imaging and magnetic resonance imaging of glioma and early response to radiotherapy in a rat model.

PubMed

Yang, Chen; Lee, Dong-Hoon; Mangraviti, Antonella; Su, Lin; Zhang, Kai; Zhang, Yin; Zhang, Bin; Li, Wenxiao; Tyler, Betty; Wong, John; Wang, Ken Kang-Hsin; Velarde, Esteban; Zhou, Jinyuan; Ding, Kai

2015-08-01

Radiotherapy remains a major treatment method for malignant tumors. Magnetic resonance imaging (MRI) is the standard modality for assessing glioma treatment response in the clinic. Compared to MRI, ultrasound imaging is low-cost and portable and can be used during intraoperative procedures. The purpose of this study was to quantitatively compare contrast-enhanced ultrasound (CEUS) imaging and MRI of irradiated gliomas in rats and to determine which quantitative ultrasound imaging parameters can be used for the assessment of early response to radiation in glioma. Thirteen nude rats with U87 glioma were used. A small thinned skull window preparation was performed to facilitate ultrasound imaging and mimic intraoperative procedures. Both CEUS and MRI with structural, functional, and molecular imaging parameters were performed at preradiation and at 1 day and 4 days postradiation. Statistical analysis was performed to determine the correlations between MRI and CEUS parameters and the changes between pre- and postradiation imaging. Area under the curve (AUC) in CEUS showed significant difference between preradiation and 4 days postradiation, along with four MRI parameters, T2, apparent diffusion coefficient, cerebral blood flow, and amide proton transfer-weighted (APTw) (all p < 0.05). The APTw signal was correlated with three CEUS parameters, rise time (r = - 0.527, p < 0.05), time to peak (r = - 0.501, p < 0.05), and perfusion index (r = 458, p < 0.05). Cerebral blood flow was correlated with rise time (r = - 0.589, p < 0.01) and time to peak (r = - 0.543, p < 0.05). MRI can be used for the assessment of radiotherapy treatment response and CEUS with AUC as a new technique and can also be one of the assessment methods for early response to radiation in glioma.

Building up a QSAR model for toxicity toward Tetrahymena pyriformis by the Monte Carlo method: A case of benzene derivatives.

PubMed

Toropova, Alla P; Schultz, Terry W; Toropov, Andrey A

2016-03-01

Data on toxicity toward Tetrahymena pyriformis is indicator of applicability of a substance in ecologic and pharmaceutical aspects. Quantitative structure-activity relationships (QSARs) between the molecular structure of benzene derivatives and toxicity toward T. pyriformis (expressed as the negative logarithms of the population growth inhibition dose, mmol/L) are established. The available data were randomly distributed three times into the visible training and calibration sets, and invisible validation sets. The statistical characteristics for the validation set are the following: r(2)=0.8179 and s=0.338 (first distribution); r(2)=0.8682 and s=0.341 (second distribution); r(2)=0.8435 and s=0.323 (third distribution). These models are built up using only information on the molecular structure: no data on physicochemical parameters, 3D features of the molecular structure and quantum mechanics descriptors are involved in the modeling process. Copyright © 2016 Elsevier B.V. All rights reserved.

Optical Experiments With Manganese Doped Yttrium Orthoaluminate, a Potential Material for Holographic Recording and Data Storage

NASA Technical Reports Server (NTRS)

Warren, Matthew E.; Loutts, George

1998-01-01

The YAlO3 host crystal has a distorted perovskite structure that belongs to the orthorhombic centrosymmetric Pbnm space group. The cationic sites in the structure available for Mn substitution are the relatively large strongly distorted YO12 polyhedral (Y3+ ionic radius R(sub Y) = 1.02 A) and the smaller nearly ideal AlO6 octahedra R(sub Al) = 0.53 A). Manganese may enter YAlO3 in the form of Mn2+ ions (R(sub Mn)= 0.96 A), substituting most likely Y3+ ions, and Mn3+ ions (R(sub Mn) = 0.65 A) or Mn4+ ions (R(sub Mn) = 0.53 A) substituting Al3+ ions. The latter substitution is most probable because of dimensional parameters. Point defects, which are common in YAl03, may provide the charge compensation required for substitution.

Correlations between impulsiveness and biochemical parameters in women with polycystic ovary syndrome.

PubMed

Özdil Demiryürek, Esra; Tekin, Atilla; Çakmak, Engin; Temizkan, Osman; Karamustafalıoğlu, Oğuz; Gökova, Sibel; Demiryürek, Enes

2016-12-01

The aim of this study was to investigate the relationship between anger, impulsiveness, and biochemical parameters (testosterone, insulin, insulin resistance) in women with polycystic ovary syndrome. We recruited 84 women diagnosed with polycystic ovary syndrome according to the Rotterdam diagnostic criteria. Psychiatric interviews were performed using the Structured Clinical Interview for DSM-IV Axis I Disorders. The Barratt Impulsiveness Scale and the State Trait Anger Expression Inventory were also administered to each participant. Lastly, the women's biochemical parameters, which included total testosterone, free androgen index, dehydroepiandrosterone sulfate, insulin and insulin resistance, thyroid functions, and prolactin, were measured. A statistically significant correlation was found between participants' increasing total testosterone levels and total impulsiveness scores, and their increasing free androgen index levels and motor and non-planning-related impulsiveness (r=0.24, p=0.027; r=0.27, p=0.015; and r=0.26, p=0.017, respectively). High insulin and insulin resistance levels were associated with high non-planning-related impulsiveness scores (r=0.26, p=0.018; and r=0.26, p=0.019). Lastly, high trait anger and anger expression scores were related to high total testosterone and insulin and insulin resistance levels. Androgens and glucose dysregulation seemingly affect anger expression as well as the attentional, motor, and non-planning-related impulsiveness of women with polycystic ovary syndrome. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Global stability of an age-structure epidemic model with imperfect vaccination and relapse

NASA Astrophysics Data System (ADS)

Cao, Bin; Huo, Hai-Feng; Xiang, Hong

2017-11-01

A new age-structured epidemic model with imperfect vaccination and relapse is proposed. The total population of our model is partitioned into five subclasses: susceptible class S, vaccinated class V, exposed class E, infectious class I and removed class R. Age-structures are equipped with in exposed and recovered classes. Furthermore, imperfect vaccination is also introduced in our model. The basic reproduction number R0 is defined and proved as a threshold parameter of the model. Asymptotic smoothness of solutions and uniform persistence of the system are showed via reformulating the system as a system of Volterra integral equation. Furthermore, by constructing proper Volterra-type Lyapunov functional we get when R0 < 1, the disease-free equilibrium is globally asymptotically stable. When R0 > 1, the endemic equilibrium is globally stable. Our results show that to increase the efficiency of vaccination and reduce influence of relapse are vital essential for controlling epidemic.

Delamination properity of 2060 aluminium lithium alloy laminate

NASA Astrophysics Data System (ADS)

Guo, Xiang; Huang, Yi; Tong, Dihua; Ma, Shaojun

2018-03-01

Delamination is an significant property of aluminium lithium alloy laminate for damage tolerance design. Double Crack Lap Shear specimens of "2/1" structure are used for testing delamination properity. Experiments of 2 stress ratio conditions R=0.06, 0.5 are conducted, and 5 stress levels for each stress ratio. Delamination growth data b-N are obtained from 4 crack tips’ locations. The energy release rate, Gd, of the "2/1" structure laminate are calculated. Alderliesten modelis used for describing delamination growth db/dN and energy release rate Gd. Parameters Cd and nd in Alderliesten model are determined for R=0.06 and R=0.5 by linear fitting. An analysis is made by comparing the results of different stress ratio conditons.

Structural and functional correlations in stable renal allografts.

PubMed

Fulladosa, Xavier; Moreso, Francesc; Torras, Joan; Hueso, Miquel; Grinyó, Josep M; Serón, Daniel

2003-05-01

Renal functional reserve (RFR) has been proposed as a surrogate marker of renal mass, but its significance in well-functioning renal transplants is controversial. Thus, we used early protocol biopsies to analyze structural and functional correlations in stable grafts. We studied 32 cyclosporine (CsA)-treated stable cadaveric transplants at 5 months. Biopsies were evaluated according to Banff criteria and histomorphometry. Inulin and p-aminohippurate clearances were used to calculate glomerular filtration rate (GFR) and effective renal plasma flow (ERPF). RFR after an amino acid infusion (RFR-AA) and after a combined amino acid and dopamine infusion (RFR-AA-DOPA) was evaluated. Baseline GFR was 54 +/- 16 mL/min/1.73 m2, and ERPF was 219 +/- 55 mL/min/1.73 m2. RFR-AA was 9% +/- 13%, and RFR-AA-DOPA was 22% +/- 20%. RFR-AA correlated with CsA dose (R = 0.39; P = 0.02), whereas RFR-AA-DOPA correlated with CsA dose (R = 0.36; P = 0.04) and CsA levels (R = 0.40; P = 0.02). The only histological parameter associated with RFR was the presence of arteriolar hyalinosis (AH). Patients showing an AH score of 1 or greater (n = 7) had lower RFR-AA (0% +/- 9% versus 11% +/- 13%; P = 0.02) and lower RFR-AA-DOPA (9% +/- 17% versus 26% +/- 19%; P = 0.03). Multivariate analysis showed that an AH score of 1 or greater, but not CsA dose or levels, was associated with RFR-AA (R = 0.42; P = 0.01). RFR-AA-DOPA was associated with hyaline arteriolar damage (R = 0.43; P = 0.01), as well as CsA levels (R = 0.54; P = 0.006). The presence of AH is the only histological parameter associated with impaired RFR in well-functioning grafts.

Constraining models of f(R) gravity with Planck and WiggleZ power spectrum data

NASA Astrophysics Data System (ADS)

Dossett, Jason; Hu, Bin; Parkinson, David

2014-03-01

In order to explain cosmic acceleration without invoking ``dark'' physics, we consider f(R) modified gravity models, which replace the standard Einstein-Hilbert action in General Relativity with a higher derivative theory. We use data from the WiggleZ Dark Energy survey to probe the formation of structure on large scales which can place tight constraints on these models. We combine the large-scale structure data with measurements of the cosmic microwave background from the Planck surveyor. After parameterizing the modification of the action using the Compton wavelength parameter B0, we constrain this parameter using ISiTGR, assuming an initial non-informative log prior probability distribution of this cross-over scale. We find that the addition of the WiggleZ power spectrum provides the tightest constraints to date on B0 by an order of magnitude, giving log10(B0) < -4.07 at 95% confidence limit. Finally, we test whether the effect of adding the lensing amplitude ALens and the sum of the neutrino mass ∑mν is able to reconcile current tensions present in these parameters, but find f(R) gravity an inadequate explanation.

Theoretical studies of the EPR parameters and local structures for Cu2+-doped cobalt ammonium phosphate hexahydrate

NASA Astrophysics Data System (ADS)

Li, Chao-Ying; Liu, Shi-Fei; Fu, Jin-Xian

2015-11-01

High-order perturbation formulas for a 3d9 ion in rhombically elongated octahedral was applied to calculate the electron paramagnetic resonance (EPR) parameters (the g factors, gi, and the hyperfine structure constants Ai, i = x, y, z) of the rhombic Cu2+ center in CoNH4PO4.6H2O. In the calculations, the required crystal-field parameters are estimated from the superposition model which enables correlation of the crystal-field parameters and hence the EPR parameters with the local structure of the rhombic Cu2+ center. Based on the calculations, the ligand octahedral (i.e. [Cu(H2O)6]2+ cluster) are found to experience the local bond length variations ΔZ (≈0.213 Å) and δr (≈0.132 Å) along axial and perpendicular directions due to the Jahn-Teller effect. Theoretical EPR parameters based on the above local structure are in good agreement with the observed values; the results are discussed.

Tree crown structural characterization: A study using terrestrial laser scanning and three-dimensional radiative transfer modeling

NASA Astrophysics Data System (ADS)

Moorthy, Inian

Spectroscopic observational data for vegetated environments, have been coupled with 3D physically-based radiative transfer models for retrievals of biochemical and biophysical indicators of vegetation health and condition. With the recent introduction of Terrestrial Laser Scanning (TLS) units, there now exists a means of rapidly measuring intricate structural details of vegetation canopies, which can also serve as input into 3D radiative transfer models. In this investigation, Intelligent Laser Ranging and Imaging System (ILRIS-3D) data was acquired of individual tree crowns in laboratory, and field-based experiments. The ILRIS-3D uses the Time-Of-Flight (TOF) principle to measure the distances of objects based on the time interval between laser pulse exitance and return, upon reflection from an object. At the laboratory-level, this exploratory study demonstrated and validated innovative approaches for retrieving crown-level estimates of Leaf Area Index (LAI) (r2 = 0.98, rmse = 0.26m2/m2), a critical biophysical parameter for vegetation monitoring and modeling. These methods were implemented and expanded in field experiments conducted in olive (Olea europaea L.) orchards in Cordoba, Spain, where ILRIS-3D observations for 24 structurally-variable trees were made. Robust methodologies were developed to characterize diagnostic architectural parameters, such as tree height (r2 = 0.97, rmse = 0.21m), crown width (r 2 = 0.98, rmse = 0.12m), crown height (r2 = 0.81, rmse = 0.11m), crown volume (r2 = 0.99, rmse = 2.6m3), and LAI (r2 = 0.76, rmse = 0.27m2/ m2). These parameters were subsequently used as direct inputs into the Forest LIGHT (FLIGHT) 3D ray tracing model for characterization of the spectral behavior of the olive crowns. Comparisons between FLIGHT-simulated spectra and measured data showed small differences in the visible (< 3%) and near infrared (< 10%) spectral ranges. These differences between model simulations and measurements were significantly correlated to TLS-derived tree crown complexity metrics. The specific implications of internal crown complexity on estimating leaf chlorophyll concentration, a pertinent physiological health indicator, is highlighted. This research demonstrates that TLS systems can potentially be the new observational tool and benchmark for precise characterization of vegetation architecture for synergy with 3D radiative transfer models for improved operational management of agricultural crops.

Analysis of Anatomic and Functional Measures in X-Linked Retinoschisis

PubMed Central

Cukras, Catherine A.; Huryn, Laryssa A.; Jeffrey, Brett P.; Turriff, Amy; Sieving, Paul A.

2018-01-01

Purpose To examine the symmetry of structural and functional parameters between eyes in patients with X-linked retinoschisis (XLRS), as well as changes in visual acuity and electrophysiology over time. Methods This is a single-center observational study of 120 males with XLRS who were evaluated at the National Eye Institute. Examinations included best-corrected visual acuity for all participants, as well as ERG recording and optical coherence tomography (OCT) on a subset of participants. Statistical analyses were performed using nonparametric Spearman correlations and linear regression. Results Our analyses demonstrated a statistically significant correlation of structural and functional measures between the two eyes of XLRS patients for all parameters. OCT central macular thickness (n = 78; Spearman r = 0.83, P < 0.0001) and ERG b/a ratio (n = 78; Spearman r = 0.82, P < 0.0001) were the most strongly correlated between a participant's eyes, whereas visual acuity was less strongly correlated (n = 120; Spearman r = 0.47, P < 0.0001). Stability of visual acuity was observed with an average change of less than one letter (n = 74; OD −0.66 and OS −0.70 letters) in a mean follow-up time of 6.8 years. There was no statistically significant change in the ERG b/a ratio within eyes over time. Conclusions Although a broad spectrum of clinical phenotypes is observed across individuals with XLRS, our study demonstrates a significant correlation of structural and functional findings between the two eyes and stability of measures of acuity and ERG parameters over time. These results highlight the utility of the fellow eye as a useful reference for monocular interventional trials.

Macular Thickness Assessment in Patients with Glaucoma and Its Correlation with Visual Fields

PubMed Central

Vaz, Fernando T; Ramalho, Mário; Pedrosa, Catarina; Lisboa, Maria; Kaku, Paulo; Esperancinha, Florindo

2016-01-01

Aim To determine the relationship between macular thickness (MT) and visual field (VF) parameters, as well as with changes in the retinal nerve fiber layer (RNFL) thickness in patients with glaucoma and ocular hypertension (OH). Materials and methods Cross-sectional statistical analysis of spectral domain optical coherence tomography (SD-OCT) compared with several VF parameters (mean defect - MD and loss variance - LV), in a nonrandom sample of 70 eyes from patients with glaucoma or OH. Statistical analysis was performed using Statistical Package for Social Sciences®. The correlation coefficient used was determined by Spearman correlation and the value of p < 0.05 was considered statistically significant. Results A significant correlation was seen between VF parameters and decrease in MT (MD: r = –0.363, p = 0.002; LV: r=–0.378, p = 0.001). The results were more significant when we compared the LV in the group with average MT 270 to 300 μm (r = –0.413, p = 0.015). Asymmetry between the superior macula and inferior macula correlated with LV (r = 0.432, p = 0.019) in the group with MT < 270 μm. There was also a significant correlation between thinning of superior-temporal and inferior-temporal RNFL and the decrease of the superior and inferior MT respectively (p < 0.001). Conclusion Spectral domain optical coherence tomography measurements of retinal thickness in the macula correlate with VF parameters and RNFL parameters in glaucoma patients. This relationship was first demonstrated with static computerized perimetry made with Octopus 101®. These results can be a valuable aid for evaluating and monitoring of glaucoma patients, establishing a correlation between structure and function. Measurements of retinal thickness in the macula may be an additional instrument for early detection of structural changes and its correlation with functional defects. How to cite this article Mota M, Vaz FT, Ramalho M, Pedrosa C, Lisboa M, Kaku P, Esperancinha F. Macular Thickness Assessment in Patients with Glaucoma and Its Correlation with Visual Fields. J Curr Glaucoma Pract 2016;10(3):85-90. PMID:27857487

Crystallite size strain analysis of nanocrystalline La0.7Sr0.3MnO3 perovskite by Williamson-Hall plot method

NASA Astrophysics Data System (ADS)

Kumar, Dinesh; Verma, Narendra Kumar; Singh, Chandra Bhal; Singh, Akhilesh Kumar

2018-04-01

The nanocrystalline Sr-doped LaMnO3 (La0.7Sr0.3MnO3 = LSMO) perovskite manganites having different crystallite size were synthesized using the nitrate-glycine auto-combustion method. The phase purity of the manganites was checked by X-ray diffraction (XRD) measurement. The XRD patterns of the sample reveal that La0.7S0.3MnO3 crystallizes into rhombohedral crystal structure with space group R-3c. The size-dependence of structural lattice parameters have been investigated with the help of Rietveld refinement. The structural parameters increase as a function of crystallite size. The crystallite-size and internal strain as a function of crystallite-size have been calculated using Williamson-Hall plot.

Blending Determinism with Evolutionary Computing: Applications to the Calculation of the Molecular Electronic Structure of Polythiophene.

PubMed

Sarkar, Kanchan; Sharma, Rahul; Bhattacharyya, S P

2010-03-09

A density matrix based soft-computing solution to the quantum mechanical problem of computing the molecular electronic structure of fairly long polythiophene (PT) chains is proposed. The soft-computing solution is based on a "random mutation hill climbing" scheme which is modified by blending it with a deterministic method based on a trial single-particle density matrix [P((0))(R)] for the guessed structural parameters (R), which is allowed to evolve under a unitary transformation generated by the Hamiltonian H(R). The Hamiltonian itself changes as the geometrical parameters (R) defining the polythiophene chain undergo mutation. The scale (λ) of the transformation is optimized by making the energy [E(λ)] stationary with respect to λ. The robustness and the performance levels of variants of the algorithm are analyzed and compared with those of other derivative free methods. The method is further tested successfully with optimization of the geometry of bipolaron-doped long PT chains.

Use of biopartitioning micellar chromatography and RP-HPLC for the determination of blood-brain barrier penetration of α-adrenergic/imidazoline receptor ligands, and QSPR analysis.

PubMed

Vucicevic, J; Popovic, M; Nikolic, K; Filipic, S; Obradovic, D; Agbaba, D

2017-03-01

For this study, 31 compounds, including 16 imidazoline/α-adrenergic receptor (IRs/α-ARs) ligands and 15 central nervous system (CNS) drugs, were characterized in terms of the retention factors (k) obtained using biopartitioning micellar and classical reversed phase chromatography (log k BMC and log k wRP , respectively). Based on the retention factor (log k wRP ) and slope of the linear curve (S) the isocratic parameter (φ 0 ) was calculated. Obtained retention factors were correlated with experimental log BB values for the group of examined compounds. High correlations were obtained between logarithm of biopartitioning micellar chromatography (BMC) retention factor and effective permeability (r(log k BMC /log BB): 0.77), while for RP-HPLC system the correlations were lower (r(log k wRP /log BB): 0.58; r(S/log BB): -0.50; r(φ 0 /P e ): 0.61). Based on the log k BMC retention data and calculated molecular parameters of the examined compounds, quantitative structure-permeability relationship (QSPR) models were developed using partial least squares, stepwise multiple linear regression, support vector machine and artificial neural network methodologies. A high degree of structural diversity of the analysed IRs/α-ARs ligands and CNS drugs provides wide applicability domain of the QSPR models for estimation of blood-brain barrier penetration of the related compounds.

The Value of Quality Improvement Process in the Detection and Correction of Common Errors in Echocardiographic Hemodynamic Parameters in a Busy Echocardiography Laboratory

PubMed Central

Fanari, Zaher; Choudhry, Usman I; Reddy, Vivek K; Eze-Nliam, Chete; Hammami, Sumaya; Kolm, Paul; Weintraub, William S.; Marshall, Erik S

2015-01-01

Background Accurate assessment of cardiac structures, ventricular function, and hemodynamics are essential for any echocardiographic laboratory. Quality Improvement (QI) processes described by the American Society of Echocardiography (ASE) and the Intersocietal Commission (IAC) should be instrumental in reaching this goal. Methods All patients undergoing transthoracic echocardiogram (TTE) followed by cardiac catheterization within 24 hours at Christiana Care Health System in 2011 and 2012 were identified, with 126 and 133 cases respectively. Hemodynamic parameters of diastolic function, Pulmonary Artery Systolic Pressure (PASP) on TTE correlated poorly with catheterization in 2011. An educational process was developed and implemented at quarterly QI meetings based on ASE and IAC recommendations to target frequently encountered errors and provide methods for improved performance. The hemodynamic parameters were then re-examined in 2012 post-intervention. Results Following the QI process, there was significant improvement in the correlation between invasive and echocardiographic hemodynamic measurements in both systolic and diastolic function, and PASP. This reflected in significant better correlations between echo and cath LVEF [R = 0.88, ICC=0.87 vs. R = 0.85, ICC=0.85; p <0.001], Average E/E’ and of left Ventricle End Diastolic Pressure (LVEDP) [R = 0.62vs. R = 0.09, p = 0.006] and a better correlation for PASP [R= 0.77, ICC=0.77 vs. R = 0.30, ICC=0.31; p = 0.05] in 2012 compared to 2011. Conclusion The QI process, as recommended by ASE and IAC, can allow for identification as well as rectification of quality issues in a large regional academic medical center hospital. PMID:26033297

The Value of Quality Improvement Process in the Detection and Correction of Common Errors in Echocardiographic Hemodynamic Parameters in a Busy Echocardiography Laboratory.

PubMed

Fanari, Zaher; Choudhry, Usman I; Reddy, Vivek K; Eze-Nliam, Chete; Hammami, Sumaya; Kolm, Paul; Weintraub, William S; Marshall, Erik S

2015-12-01

Accurate assessment of cardiac structures, ventricular function, and hemodynamics is essential for any echocardiographic laboratory. Quality improvement (QI) processes described by the American Society of Echocardiography (ASE) and the Intersocietal Commission (IAC) should be instrumental in reaching this goal. All patients undergoing transthoracic echocardiogram (TTE) followed by cardiac catheterization within 24 hours at Christiana Care Health System in 2011 and 2012 were identified, with 126 and 133 cases, respectively. Hemodynamic parameters of diastolic function and pulmonary artery systolic pressure (PASP) on TTE correlated poorly with catheterization in 2011. An educational process was developed and implemented at quarterly QI meetings based on ASE and IAC recommendations to target frequently encountered errors and provide methods for improved performance. The hemodynamic parameters were then reexamined in 2012 postintervention. Following the QI process, there was significant improvement in the correlation between invasive and echocardiographic hemodynamic measurements in both systolic and diastolic function, and PASP. This reflected in significant better correlations between echo and cath LVEF [R = 0.88, ICC = 0.87 vs. R = 0.85, ICC = 0.85; P < 0.001], average E/E' and of left ventricle end-diastolic pressure (LVEDP) [R = 0.62 vs. R = 0.09, P = 0.006] and a better correlation for PASP [R = 0.77, ICC = 0.77 vs. R = 0.30, ICC = 0.31; P = 0.05] in 2012 compared to 2011. The QI process, as recommended by ASE and IAC, can allow for identification as well as rectification of quality issues in a large regional academic medical center hospital. © 2015, Wiley Periodicals, Inc.

Lattice crossover and phase transitions in NdAlO{sub 3}-GdAlO{sub 3} system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vasylechko, L., E-mail: crystal-lov@polynet.lviv.ua; Shmanko, H.; Ohon, N.

2013-02-15

Phase and structural behaviour in the (1-x)NdAlO{sub 3}-xGdAlO{sub 3} system in a whole concentration range has been studied by means of in situ high-resolution X-ray synchrotron powder diffraction technique and differential thermal analysis. Two kinds of solid solutions Nd{sub 1-x}Gd{sub x}AlO{sub 3} have been found at room temperature: one with rhombohedral (x<0.15) and one with orthorhombic (x{>=}0.20) symmetry. A morphotropic phase transition occurs at x Almost-Equal-To 0.15, where the co-existence of both phases was observed. Peculiarity of the orthorhombic solid solution is the lattice parameter crossover at the compositions with x=0.33, 0.49 and 0.62. First-order structural transition Pbnm{r_reversible}R3{sup Macron }cmore » has been detected both from in situ powder diffraction and thermal analysis data. Continuous phase transformation R3{sup Macron }c{r_reversible}Pm3{sup Macron }m above 2140 K has been predicted for Nd-rich sample Nd{sub 0.85}Gd{sub 0.15}AlO{sub 3} from the extrapolation of high-temperature behaviour of the lattice parameter ratio of the rhombohedral phase. Based on the experimental data, the phase diagram of the pseudo-binary system NdAlO{sub 3}-GdAlO{sub 3} has been constructed. - Graphical abstract: Concentration dependencies of normalized lattice parameters of Nd{sub 1-x}Gd{sub x}AlO{sub 3} perovskite solid solutions. Highlights: Black-Right-Pointing-Pointer Two kinds of solid solutions Nd{sub 1-x}Gd{sub x}AlO{sub 3} were found in the NdAlO{sub 3}-GdAlO{sub 3} system. Black-Right-Pointing-Pointer Morphotropic transition between both perovskite phases occurs at x Almost-Equal-To 0.15. Black-Right-Pointing-Pointer Lattice parameter crossover was found in orthorhombic solid solution. Black-Right-Pointing-Pointer Temperature driven first-order phase transition Pbnm{r_reversible}R3{sup Macron }c was found in Nd{sub 1-x}Gd{sub x}AlO{sub 3}. Black-Right-Pointing-Pointer Phase diagram of the pseudo-binary system NdAlO{sub 3}-GdAlO{sub 3} has been constructed.« less

Quantitative correlational study of microbubble-enhanced ultrasound imaging and magnetic resonance imaging of glioma and early response to radiotherapy in a rat model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Chen; Lee, Dong-Hoon; Zhang, Kai

Purpose: Radiotherapy remains a major treatment method for malignant tumors. Magnetic resonance imaging (MRI) is the standard modality for assessing glioma treatment response in the clinic. Compared to MRI, ultrasound imaging is low-cost and portable and can be used during intraoperative procedures. The purpose of this study was to quantitatively compare contrast-enhanced ultrasound (CEUS) imaging and MRI of irradiated gliomas in rats and to determine which quantitative ultrasound imaging parameters can be used for the assessment of early response to radiation in glioma. Methods: Thirteen nude rats with U87 glioma were used. A small thinned skull window preparation was performedmore » to facilitate ultrasound imaging and mimic intraoperative procedures. Both CEUS and MRI with structural, functional, and molecular imaging parameters were performed at preradiation and at 1 day and 4 days postradiation. Statistical analysis was performed to determine the correlations between MRI and CEUS parameters and the changes between pre- and postradiation imaging. Results: Area under the curve (AUC) in CEUS showed significant difference between preradiation and 4 days postradiation, along with four MRI parameters, T{sub 2}, apparent diffusion coefficient, cerebral blood flow, and amide proton transfer-weighted (APTw) (all p < 0.05). The APTw signal was correlated with three CEUS parameters, rise time (r = − 0.527, p < 0.05), time to peak (r = − 0.501, p < 0.05), and perfusion index (r = 458, p < 0.05). Cerebral blood flow was correlated with rise time (r = − 0.589, p < 0.01) and time to peak (r = − 0.543, p < 0.05). Conclusions: MRI can be used for the assessment of radiotherapy treatment response and CEUS with AUC as a new technique and can also be one of the assessment methods for early response to radiation in glioma.« less

Theoretical study of the local structures and the EPR parameters for RLNKB glasses with VO2+ and Cu2+ dopants

NASA Astrophysics Data System (ADS)

Ding, Chang-Chun; Wu, Shao-Yi; Wu, Li-Na; Zhang, Li-Juan; Peng, Li; Wu, Ming-He; Teng, Bao-Hua

2018-02-01

The electron paramagnetic resonance (EPR) parameters and local structures for impurities VO2+ and Cu2+ in RO-Li2O-Na2O-K2O-B2O3 (RLNKB; R = Zn, Mg, Sr and Ba) glasses are theoretically investigated by using the perturbation formulas of the EPR parameters for tetragonally compressed octahedral 3d1 and tetragonally elongated octahedral 3d9 clusters, respectively. The VO2+ and Cu2+ dopants are found to undergo the tetragonal compression (characterized by the negative relative distortion ratios ρ ≈ -3%, -0.98%, -1% and -0.8% for R = Zn, Mg, Sr and Ba) and elongation (characterized by the positive relative distortion ratios ρ ≈ 29%, 17%, 16% and 28%), respectively, due to the Jahn-Teller effect. Both dopants show similar overall decreasing trends of cubic field parameter Dq and covalency factor N with decreasing electronegativity of alkali earth cation R. The conventional optical basicities Λth and local optical basicities Λloc are calculated for both systems, and the local Λloc are higher for Cu2+ than for VO2+ in the same RLNKB glass, despite the opposite relationship for the conventional Λth. This point is supported by the weaker covalency or stronger ionicity for Cu2+ than VO2+ in the same RLNKB system, characterized by the larger N in the former. The above comparative analysis on the spectral and local structural properties would be helpful to understand structures and spectroscopic properties for the similar oxide glasses with transition-metal dopants of complementary electronic configurations.

CCD UBVRI photometry of NGC 6811

NASA Astrophysics Data System (ADS)

Yontan, T.; Bilir, S.; Bostancı, Z. F.; Ak, T.; Karaali, S.; Güver, T.; Ak, S.; Duran, Ş.; Paunzen, E.

2015-02-01

We present the results of CCD UBVRI observations of the open cluster NGC 6811 obtained on 18th July 2012 with the 1 m telescope at the TÜBİTAK National Observatory (TUG). Using these photometric results, we determine the structural and astrophysical parameters of the cluster. The mean photometric uncertainties are better than 0.02 mag in the V magnitude and B- V, V- R, and V- I colour indices to about 0.03 mag for U- B among stars brighter than magnitude V=18. Cluster member stars were separated from the field stars using the Galaxia model of Sharma et al. (2011) together with other techniques. The core radius of the cluster is found to be r c =3.60 arcmin. The astrophysical parameters were determined simultaneously via Bayesian statistics using the colour-magnitude diagrams V versus B- V, V versus V- I, V versus V- R, and V versus R- I of the cluster. The resulting most likely parameters were further confirmed using independent methods, removing any possible degeneracies. The colour excess, distance modulus, metallicity and the age of the cluster are determined simultaneously as E( B- V)=0.05±0.01 mag, μ=10.06±0.08 mag, [ M/ H]=-0.10±0.01 dex and t=1.00±0.05 Gyr, respectively. Distances of five red clump stars which were found to be members of the cluster further confirm our distance estimation.

Model-independent fit to Planck and BICEP2 data

NASA Astrophysics Data System (ADS)

Barranco, Laura; Boubekeur, Lotfi; Mena, Olga

2014-09-01

Inflation is the leading theory to describe elegantly the initial conditions that led to structure formation in our Universe. In this paper, we present a novel phenomenological fit to the Planck, WMAP polarization (WP) and the BICEP2 data sets using an alternative parametrization. Instead of starting from inflationary potentials and computing the inflationary observables, we use a phenomenological parametrization due to Mukhanov, describing inflation by an effective equation of state, in terms of the number of e-folds and two phenomenological parameters α and β. Within such a parametrization, which captures the different inflationary models in a model-independent way, the values of the scalar spectral index ns, its running and the tensor-to-scalar ratio r are predicted, given a set of parameters (α ,β). We perform a Markov Chain Monte Carlo analysis of these parameters, and we show that the combined analysis of Planck and WP data favors the Starobinsky and Higgs inflation scenarios. Assuming that the BICEP2 signal is not entirely due to foregrounds, the addition of this last data set prefers instead the ϕ2 chaotic models. The constraint we get from Planck and WP data alone on the derived tensor-to-scalar ratio is r <0.18 at 95% C.L., value which is consistent with the one quoted from the BICEP2 Collaboration analysis, r =0.16-0.05+0-06, after foreground subtraction. This is not necessarily at odds with the 2σ tension found between Planck and BICEP2 measurements when analyzing data in terms of the usual ns and r parameters, given that the parametrization used here, for the preferred value ns≃0.96, allows only for a restricted parameter space in the usual (ns,r) plane.

Importance of the structure and nanoporosity of organic matter on the desorption kinetics of benzo[a]pyrene in sediments.

PubMed

Huang, Youda; Zhang, Dainan; Duan, Dandan; Yang, Yu; Xiong, Yongqiang; Ran, Yong

2017-06-01

The desorption kinetics and mechanism were investigated using a Tenax extraction technique on different sediments spiked with radiocarbon-labeled benzo[a]pyrene (BaP). Five sedimentary fractions were sequentially fractionated, and the only nonhydrolyzable organic carbon fractions (NHC) were characterized using advanced solid-state 13 C nuclear magnetic resonance spectroscopy (NMR), improved six end-member model, and a CO 2 gas adsorption technique. The sediments contained high percentages of algaenan and/or sporopollenin but low percentages of black carbon and lignin. A first-order, two-compartment kinetics model described the desorption process very well (R 2  > 0.990). Although some of the organic carbon fractions were significantly related to the desorption kinetics parameters, the NHC fractions showed the highly significant correlation. Moreover, the nanoporosity or specific surface area (SSA) of the NHC fractions was highly related to their OC contents and aliphatic C (R 2  = 0.960, p < 0.01). The multiple regression equations among the desorption kinetics parameters, structural parameters, and nanoporosity were well established (R 2 =>0.999). Nanoporosity and aromatic C were the dominant contributors. Furthermore, the enhanced percentages of desorbed BaP at elevated temperatures significantly showed a linear regression with the structure and nanoporosity. To our knowledge, the above evidence demonstrates for the first time that the transfer (or diffusion) of BaP in the nanopores of condensed aromatic components is the dominant mechanism of the desorption kinetics of BaP at organic matter particle scale. Copyright © 2017 Elsevier Ltd. All rights reserved.

A net reproductive number for periodic matrix models.

PubMed

Cushing, J M; Ackleh, A S

2012-01-01

We give a definition of a net reproductive number R (0) for periodic matrix models of the type used to describe the dynamics of a structured population with periodic parameters. The definition is based on the familiar method of studying a periodic map by means of its (period-length) composite. This composite has an additive decomposition that permits a generalization of the Cushing-Zhou definition of R (0) in the autonomous case. The value of R (0) determines whether the population goes extinct (R (0)<1) or persists (R (0)>1). We discuss the biological interpretation of this definition and derive formulas for R (0) for two cases: scalar periodic maps of arbitrary period and periodic Leslie models of period 2. We illustrate the use of the definition by means of several examples and by applications to case studies found in the literature. We also make some comparisons of this definition of R (0) with another definition given recently by Bacaër.

Structure determination of myrtenal by microwave spectroscopy and quantum chemical calculations

NASA Astrophysics Data System (ADS)

Chrayteh, Mhamad; Dréan, Pascal; Huet, Thérèse R.

2017-06-01

The rotational spectrum of myrtenal has been investigated using a Fourier transform microwave spectrometer coupled to a supersonic expansion in the 2-20 GHz frequency range. Of the two possible conformers expected in the gas phase, only the s-trans conformer which was calculated 12kJmol-1 lower in energy than the s-cis conformer was observed. The spectra of the ten 13C and 18O isotopic species of s-trans-myrtenal were observed in natural abundance. The ground state rotational constants are A = 1666.269706 (55)MHz, B = 962.344291 (40)MHz and C = 836.903508 (43)MHz . A partial rs structure was calculated using Kraitchman's equations. A r0 structure was also derived using additional data from a B3LYP/6-311++G(d,p) calculation. The structural parameters of the sbnd Cdbnd Csbnd Cdbnd O pattern of myrtenal (r0(Cdbnd C) = 1.341(16) Å, r0(Csbnd C) = 1.479(98) Å, r0(Cdbnd O) = 1.220(13) Å, ∠(OCC) = 124.4(13)° and ∠ (CCC) = 119.3 (11) °) are very close to those in trans-acrolein and in trans-trans-cinnamaldehyde.

QSAR studies in substituted 1,2,3,4,6,7,12,12a-octa-hydropyrazino[2',1':6,1]pyrido[3,4-b]indoles--a potent class of neuroleptics.

PubMed

Saxena, Anil K; Ram, Siya; Saxena, Mridula; Singh, Nidhi; Prathipati, Philip; Jain, Padam C; Singh, H K; Anand, Nitya

2003-05-01

A series of nineteen substituted 1,2,3,4,6,7,12,12a-octahydropyrazino[2',1':6,1]pyrido[3, 4-b]indoles analogues of neuroleptic drug, Centbutindole have been studied using quantitative structure-activity relationship analysis. The derived models display good fits to the experimental data (r>or=0.75) having good predictive power (r(cv)>or=0.688). The best model describes a high correlation between predicted and experimental activity data (r=0.967). Statistical analysis of the equation populations indicates that hydrophobicity (as measured by pi(R), logP(o/w) and SlogP_VSA8), dipole y and structural parameters in terms of indicator variable, (In(1)) and globularity are important variables in describing the variation in the neuroleptic activity in the series.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buta, R.; de Vaucouleurs, G.

The diameters d/sub r/ of inner ring structures in disk galaxies are used as geometric distance indicators to derive the distances of 453 spiral and lenticular galaxies, mainly in the distance interval 4<..delta..<63 Mpc. The diameters are weighted means from the catalogs to Kormendy, Pedreros and Madore, and the authors. The distances are calculated by means of the two- and three-parameter formulae of Paper II; the adopted mean distance moduli ..mu../sub 0/(r) have mean errors from all sources of 0.6--0.7 mag for the well-observed galaxies.

Effects of a Thin Ru-Doped PVP Interface Layer on Electrical Behavior of Ag/n-Si Structures

NASA Astrophysics Data System (ADS)

Badali, Yosef; Nikravan, Afsoun; Altındal, Şemsettin; Uslu, İbrahim

2018-03-01

The aim of this study is to improve the electrical property of Ag/n-Si metal-semiconductor (MS) structure by growing an Ru-doped PVP interlayer between Ag and n-Si using electrospinning technique. To illustrate the utility of the Ru-doped PVP interface layer, current-voltage (I-V) characteristics of Ag/n-Si (MS) and Ag/Ru-doped PVP/n-Si metal-polymer-semiconductor (MPS) structures was carried out. In addition, the main electrical parameters of the fabricated Ag/Ru-doped PVP/n-Si structures were investigated as a function of frequency and electric field using impedance spectroscopy method (ISM). The capacitance-voltage (C-V) plot showed an anomalous peak in the depletion region due to the special density distribution of interface traps/states (D it /N ss) and interlayer. Both the values of series resistance (R s) and N ss were drawn as a function of voltage and frequency between 0.5 kHz and 5 MHz at room temperature and they had a peak behavior in the depletion region. Some important parameters of the sample such as the donor concentration atoms (N D), Fermi energy (E F ), thickness of the depletion region (W D), barrier height (Φ B0 ) and R s were determined from the C -2 versus V plot for each frequency. The values of N D , W D , Φ B0 and R s were changed from 1 × 1015 cm-3, 9.61 × 10-5 cm, 0.94 eV and 19,055 Ω (at 0.5 kHz) to 0.13 × 1015 cm-3, 27.4 × 10-4 cm, 1.04 eV and 70 Ω (at 5 MHz), respectively. As a result of the experiments, it is observed that the change in electrical parameters becomes more effective at lower frequencies due to the N ss and their relaxation time (τ), dipole and surface polarizations.

Effects of a Thin Ru-Doped PVP Interface Layer on Electrical Behavior of Ag/n-Si Structures

NASA Astrophysics Data System (ADS)

Badali, Yosef; Nikravan, Afsoun; Altındal, Şemsettin; Uslu, İbrahim

2018-07-01

The aim of this study is to improve the electrical property of Ag/n-Si metal-semiconductor (MS) structure by growing an Ru-doped PVP interlayer between Ag and n-Si using electrospinning technique. To illustrate the utility of the Ru-doped PVP interface layer, current-voltage ( I-V) characteristics of Ag/n-Si (MS) and Ag/Ru-doped PVP/n-Si metal-polymer-semiconductor (MPS) structures was carried out. In addition, the main electrical parameters of the fabricated Ag/Ru-doped PVP/n-Si structures were investigated as a function of frequency and electric field using impedance spectroscopy method (ISM). The capacitance-voltage ( C-V) plot showed an anomalous peak in the depletion region due to the special density distribution of interface traps/states ( D it /N ss) and interlayer. Both the values of series resistance ( R s) and N ss were drawn as a function of voltage and frequency between 0.5 kHz and 5 MHz at room temperature and they had a peak behavior in the depletion region. Some important parameters of the sample such as the donor concentration atoms ( N D), Fermi energy ( E F ), thickness of the depletion region ( W D), barrier height ( Φ B0 ) and R s were determined from the C - 2 versus V plot for each frequency. The values of N D , W D , Φ B0 and R s were changed from 1 × 1015 cm-3, 9.61 × 10-5 cm, 0.94 eV and 19,055 Ω (at 0.5 kHz) to 0.13 × 1015 cm-3, 27.4 × 10-4 cm, 1.04 eV and 70 Ω (at 5 MHz), respectively. As a result of the experiments, it is observed that the change in electrical parameters becomes more effective at lower frequencies due to the N ss and their relaxation time ( τ), dipole and surface polarizations.

On the saturation of the refractive index structure function. II - Influence of the correlation length on astronomical 'seeing'

NASA Technical Reports Server (NTRS)

Venkatakrishnan, P.

1987-01-01

A physical length scale in the wavefront corresponding to the parameter (r sub 0) characterizing the loss in detail in a long exposure image is identified, and the influence of the correlation scale of turbulence as r sub 0 approaches this scale is shown. Allowing for the effect of 2-point correlations in the fluctuations of the refractive index, Venkatakrishnan and Chatterjee (1987) proposed a modified law for the phase structure function. It is suggested that the departure of the phase structure function from the 5/3 power law for length scales in the wavefront approaching the correlation scale of turbulence may lead to better 'seeing' at longer wavelengths.

Thermal expansion of phosphates with the NaZr2(PO4)3 structure containing lanthanides and zirconium: R 0.33Zr2(PO4)3 ( R = Nd, Eu, Er) and Er0.33(1- x) Zr0.25 x Zr2(PO4)3

NASA Astrophysics Data System (ADS)

Volgutov, V. Yu.; Orlova, A. I.

2015-09-01

Phosphates R 0.33Zr2(PO4)3 ( R = Nd, Eu, or Er) and Er0.33(1- х)Zr0.25Zr2(PO4)3 ( х = 0, 0.25, 0.5, 0.75, 1.0) of the NaZr2(PO4)3 family have been synthesized and investigated by high-temperature X-ray diffraction. The crystallochemical approach is used to obtain compounds with expected small and controllable thermal-expansion parameters. Phosphates with close-to-zero thermal-expansion parameters, including those with low thermal-expansion anisotropy, have been obtained: Nd0.33Zr2(PO4)3 with α a =-2.21 × 10-6 °С-1, α c = 0.81 × 10-6 °С-1, and Δα = 3.02 × 10-6 °С-1 and Er0.08Zr0.19Zr2(PO4)3 with α a =-1.86 × 10-6 °С-1, α c = 1.73 × 10-6 °С-1, and Δα = 3.58 × 10-6 °С-1.

Quantitative structure-property relationship modeling of beta-cyclodextrin complexation free energies.

PubMed

Katritzky, Alan R; Fara, Dan C; Yang, Hongfang; Karelson, Mati; Suzuki, Takahiro; Solov'ev, Vitaly P; Varnek, Alexandre

2004-01-01

CODESSA-PRO was used to model binding energies for 1:1 complexation systems between 218 organic guest molecules and beta-cyclodextrin, using a seven-parameter equation with R2 = 0.796 and Rcv2 = 0.779. Fragment-based TRAIL calculations gave a better fit with R2 = 0.943 and Rcv2 = 0.848 for 195 data points in the database. The advantages and disadvantages of each approach are discussed, and it is concluded that a combination of the two approaches has much promise from a practical viewpoint.

Symmetry analysis of the behavior of the family R6M23 compounds upon hydrogenation

NASA Astrophysics Data System (ADS)

Kuna, Agnieszka; Sikora, Wiesława

2011-06-01

Symmetry analysis was applied in this work to discuss the behavior of the family R6M23 compounds upon hydrogenation (deuteration), where different structural transformations and magnetic properties, depending on the type of R and M atoms and hydrogen (deuterium) concentrations, have been found. The crystallographic structure of these compounds is described by the Fm3m space group and contain 116 atoms per unit cell occupying the positions 24e(R), 4b, 24d, 32f1 and 32f2(M). Additionally in the elementary cell, there could be up to 100 atoms of hydrogen (or deuterium) occupying the interstitial positions 4a, 32f3, 96j1 and 96k1. The symmetry analysis in the frame of the theory of space groups and their representation gives the opportunity to find all possible transformations from high symmetry parent structure to the structures with symmetry belonging to one of its subgroups. For a given transformation it indicates possible displacements of atoms from initial positions in the parent structure, ordering of hydrogen over interstitial sites and also ordering of magnetic moments, described by the smallest possible number of free parameters. The analysis was carried out by means of the MODY computer program for vectors k = (0; 0; 0) and k = (0; 0; 1) describing the changes of translational symmetry and all positions occupied by the R, M and D atoms.

Structures and phase transitions of the A7PSe6 (A = Ag, Cu) argyrodite-type ionic conductors. II. Beta- and gamma-Cu7PSe6

PubMed

Gaudin; Boucher; Petricek; Taulelle; Evain

2000-06-01

The crystal structures of two of the three polymorphic forms of the Cu7PSe6 argyrodite compound are determined by means of single-crystal X-ray diffraction. In the high-temperature form, at 353 K, i.e. 33 K above the first phase transition, gamma-Cu7PSe6 crystallizes in cubic symmetry, space group F43m. The full-matrix least-squares refinement of the structure leads to the residual factors R = 0.0201 and wR = 0.0245 for 31 parameters and 300 observed independent reflections. In the intermediate form, at room temperature, beta-Cu7PSe6 crystallizes again in cubic symmetry, but with space group P2(1)3. Taking into account a merohedric twinning, the refinement of the beta-Cu7PSe6 structure leads to the residual factors R = 0.0297 and wR = 0.0317 for 70 parameters and 874 observed, independent reflections. The combination of a Gram-Charlier development of the Debye-Waller factor and a split model for copper cations reveals the possible diffusion paths of the d10 species in the gamma-Cu7PSe6 ionic conducting phase. The partial ordering of the Cu+ d10 element at the phase transition is found in concordance with the highest probability density sites of the high-temperature phase diffusion paths. A comparison between the two Cu7PSe6 and Ag7PSe6 analogues is carried out, stressing the different mobility of Cu+ and Ag+ and their relative stability in low-coordination chalcogenide environments.

Membership and Dynamical Parameters of the Open Cluster NGC 1039

NASA Astrophysics Data System (ADS)

Wang, Jiaxin; Ma, Jun; Wu, Zhenyu; Zhou, Xu

2017-11-01

In this paper, we analyze the open cluster NGC 1039. This young open cluster is observed as a part of Beijing-Arizona-Taiwan-Connecticut Multicolor Sky Survey. Combining our observations with the Sloan Digital Sky Survey photometric data, we employ the Padova stellar model and the zero-age main-sequence curve to the data to derive a reddening, E(B-V)=0.10+/- 0.02, and a distance modulus, {(m-M)}0=8.4+/- 0.2, for NGC 1039. The photometric membership probabilities of stars in the region of NGC 1039 are derived using the spectral energy distribution-fitting method. According to the membership probabilities ({P}{SED}) obtained here, 582 stars are cluster members with {P}{SED} larger than 60%. In addition, we determine the structural parameters of NGC 1039 by fitting its radial density profile with the King model. These parameters are a core radius, {R}{{c}}=4.44+/- 1.31 {pc}; a tidal radius, {R}{{t}}=13.57+/- 4.85 {pc}; and a concentration parameter of {C}0={log}({R}{{t}}/{R}{{c}})=0.49+/- 0.20. We also fit the observed mass function of NGC 1039 with masses from 0.3 {M}⊙ to 1.65 {M}⊙ with a power-law function {{Φ }}(m)\\propto {m}α to derive its slopes of mass functions of different spatial regions. The results obtained here show that the slope of the mass function of NGC 1039 is flatter in the central regions (α = 0.117), becomes steeper at larger radii (α = -2.878), and breaks at {m}{break}≈ 0.80 {M}⊙ . In particular, for the first time, our results show that the mass segregation appears in NGC 1039.

The barium iron ruthenium oxide system

NASA Technical Reports Server (NTRS)

Kemmler-Sack, S.; Ehmann, A.

1986-01-01

In the system BaFe(1-x)Ru(x)O(3-y), three phases, separated by immiscibility gaps, are present: an Fe-rich phase (x = 0 to 0.75) with hexagonal BaTiO3 structure (6H; sequence (hcc)2), a Ru-rich phase (x = 0.9) of hexagonal 4H-type (sequence (hc)2), and the pure Ru compounds BaRuO3 with rhombohedral 9R structure (sequence (hhc)3). By vibrational spectroscopic investigations in the 6H phase a transition from n-type semiconduction (Fe-rich compounds with complete O lattice) can be detected. The 4H and 9R stacking polytypes are good, metal-like conductors. The lattice parameters are given.

Role of thromboelastography and rapid thromboelastography to assess the pharmacodynamic effects of vitamin K antagonists.

PubMed

Franchi, Francesco; Hammad, Jafri Syed; Rollini, Fabiana; Tello-Montoliu, Antonio; Patel, Ronakkumar; Darlington, Andrew; Kraemer, Dale F; Cho, Jung Rae; DeGroat, Christopher; Bhatti, Mona; Taha, Mohamad; Angiolillo, Dominick J

2015-07-01

Thromboelastography (TEG) measures the effects of antithrombotic agents by assessing global functional clotting status by evaluating the viscoelastic properties of in vitro clot formation. Recently, rapid TEG (r-TEG), which uses tissue factor in addition to standard kaolin to accelerate activation of the clotting cascade, has been proposed to obtain more immediate results. The correlation between results of TEG or r-TEG with international normalized ratio (INR) in patients on vitamin K antagonist (VKA) therapy has not been explored and represents the aim of this study. Patients on chronic therapy with VKAs (n = 100) were included in an observational prospective pharmacodynamic study. The correlation between TEG parameters, in particular markers of thrombus generation [Reaction time (R), maximum rate of thrombus generation (MRTG), and time to maximum rate of thrombus generation (TMRTG)], and INR values as well as the concordance between these parameters and therapeutic INR ranges were evaluated. In addition, in a subgroup of subjects (n = 17), the correlation of r-TEG parameters with TEG parameters and INR values was also assessed. No correlation was found between INR and TEG parameters of thrombus generation, in particular between INR and R (r = 0.189, p = 0.06), MRTG (r = -0.027, p = 0.79), and TMRTG (r = 0.188, p = 0.06). Further, no concordance was found between these parameters and recommended INR ranges. Significant Spearman correlations were found between INR and activated clotting time (rS = 0.546, p < 0.001), r-R (rS = 0.572, p = 0.017), and r-TMRTG (rS = 0.510, p = 0.037), but not r-MRTG (rS = 0.131, p = 0.617). Results were obtained in 24 ± 6 versus 12 ± 4 min with TEG and r-TEG, respectively (p < 0.001). In patients on chronic VKA therapy, TEG is not a useful tool to evaluate VKA anticoagulant effect, compared with standard INR measurements. However, r-TEG parameters of thrombus generation correlate with INR levels, suggesting a possible role of this assay for measuring more expeditiously anticoagulant treatment effects.

Quantitative Structure-Activity Relationship of Insecticidal Activity of Benzyl Ether Diamidine Derivatives

NASA Astrophysics Data System (ADS)

Zhai, Mengting; Chen, Yan; Li, Jing; Zhou, Jun

2017-12-01

The molecular electrongativity distance vector (MEDV-13) was used to describe the molecular structure of benzyl ether diamidine derivatives in this paper, Based on MEDV-13, The three-parameter (M 3, M 15, M 47) QSAR model of insecticidal activity (pIC 50) for 60 benzyl ether diamidine derivatives was constructed by leaps-and-bounds regression (LBR) . The traditional correlation coefficient (R) and the cross-validation correlation coefficient (R CV ) were 0.975 and 0.971, respectively. The robustness of the regression model was validated by Jackknife method, the correlation coefficient R were between 0.971 and 0.983. Meanwhile, the independent variables in the model were tested to be no autocorrelation. The regression results indicate that the model has good robust and predictive capabilities. The research would provide theoretical guidance for the development of new generation of anti African trypanosomiasis drugs with efficiency and low toxicity.

From Graphene Oxide to Reduced Graphene Oxide: Impact on the Physiochemical and Mechanical Properties of Graphene-Cement Composites.

PubMed

Gholampour, Aliakbar; Valizadeh Kiamahalleh, Meisam; Tran, Diana N H; Ozbakkaloglu, Togay; Losic, Dusan

2017-12-13

Graphene materials have been extensively explored and successfully used to improve performances of cement composites. These formulations were mainly optimized based on different dosages of graphene additives, but with lack of understanding of how other parameters such as surface chemistry, size, charge, and defects of graphene structures could impact the physiochemical and mechanical properties of the final material. This paper presents the first experimental study to evaluate the influence of oxygen functional groups of graphene and defectiveness of graphene structures on the axial tension and compression properties of graphene-cement mortar composites. A series of reduced graphene oxide (rGO) samples with different levels of oxygen groups (high, mild, and low) were prepared by the reduction of graphene oxide (GO) using different concentrations of hydrazine (wt %, 0.1, 0.15, 0.2, 0.3, and 0.4%) and different reduction times (5, 10, 15, 30, and 60 min) and were added to cement mortar composites at an optimal dosage of 0.1%. A series of characterization methods including scanning electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction, thermogravimetric analysis, and Fourier transform infrared spectroscopy were performed to determine the distribution and mixing of the prepared rGO in the cement matrix and were correlated with the observed mechanical properties of rGO-cement mortar composites. The measurement of the axial tension and compression properties revealed that the oxygen level of rGO additives has a significant influence on the mechanical properties of cement composites. An addition of 0.1% rGO prepared by 15 min reduction and 0.2% (wt %) hydrazine with mild level of oxygen groups resulted in a maximum enhancement of 45.0 and 83.7%, respectively, in the 28-day tensile and compressive strengths in comparison with the plain cement mortar and were higher compared to the composite prepared with GO (37.5 and 77.7%, respectively). These results indicate that there is a strong influence of the level of oxygen groups and crystallinity of graphene structures on the physiochemical and mechanical properties. The influence of these two parameters are interconnected and their careful balancing is required to provide an optimum level of oxygen groups on rGO sheets to ensure that there is sufficient bonding between the calcium silicate hydrate (C-S-H) components in the cement matrix and minimum level of defects and higher crystallinity of graphene structures, which will improve the mechanical properties of the composite. Finding the optimized balance between these two parameters is required to formulate graphene cement composites with the highest performance.

ClotChip: A Microfluidic Dielectric Sensor for Point-of-Care Assessment of Hemostasis.

PubMed

Maji, Debnath; Suster, Michael A; Kucukal, Erdem; Sekhon, Ujjal D S; Gupta, Anirban Sen; Gurkan, Umut A; Stavrou, Evi X; Mohseni, Pedram

2017-12-01

This paper describes the design, fabrication, and testing of a microfluidic sensor for dielectric spectroscopy of human whole blood during coagulation. The sensor, termed ClotChip, employs a three-dimensional, parallel-plate, capacitive sensing structure with a floating electrode integrated into a microfluidic channel. Interfaced with an impedance analyzer, the ClotChip measures the complex relative dielectric permittivity, ϵ r , of human whole blood in the frequency range of 40 Hz to 100 MHz. The temporal variation in the real part of the blood dielectric permittivity at 1 MHz features a time to reach a permittivity peak, , as well as a maximum change in permittivity after the peak, , as two distinct parameters of ClotChip readout. The ClotChip performance was benchmarked against rotational thromboelastometry (ROTEM) to evaluate the clinical utility of its readout parameters in capturing the clotting dynamics arising from coagulation factors and platelet activity. exhibited a very strong positive correlation ( r = 0.99, p < 0.0001) with the ROTEM clotting time parameter, whereas exhibited a strong positive correlation (r = 0.85,  p < 0.001) with the ROTEM maximum clot firmness parameter. This paper demonstrates the ClotChip potential as a point-of-care platform to assess the complete hemostatic process using <10 μL of human whole blood.

Structure and magnetic properties of ScFe 10Si 2

NASA Astrophysics Data System (ADS)

Bodak, O. I.; Stȩpień-Damm, J.; Drulis, H.; Kotur, B.; Suski, W.; Vagizov, F. G.; Wochowski, K.; Mydlarz, T.

1995-02-01

ScFe 10Si 2 crystallizes in the ThMn 12-type tetragonal structure with the space group I4/mmm and the lattice parameters: a = 0.8280 (1) nm, c = 0.4706 (1) nm and c/ a = 0.57. In the refinement performed for 317 independent reflections and 10 variable parameters, a final discrepancy factor R = 4.69% has been reached. The compound is ferromagnetic below 506 K ( 57Fe ME) and 560 K (magnetic). The distribution of the Fe atoms in the 8( i), 8( j) and 8( f) positions corresponds to 40, 31 and 29%, respectively. The Debye temperature determined from the temperature dependence of the isomer shift is 340 K.

Quantitative structure toxicity relationships for phenols in isolated rat hepatocytes.

PubMed

Moridani, Majid Y; Siraki, Arno; O'Brien, Peter J

2003-05-06

Quantitative structure toxicity relationship (QSTR) equations were obtained to predict and describe the cytotoxicity of 31 phenols using logLD(50) as a concentration to induce 50% cytotoxicity of isolated rat hepatocytes in 2 h and logP as octanol/water partitioning: logLD(50) (microM)=-0.588(+/-0.059)logP+4.652(+/-0.153) (n=27, r(2)=0.801, s=0.261, P<1 x 10(-9)). Hydroquinone, catechol, 4-nitrophenol, and 2,4-dinitrophenol were outliers for this equation. When the ionization constant pK(a) was considered as a contributing factor a two-parameter QSTR equation was derived: logLD(50) (microM)=-0.595(+/-0.051)logP+0.197(+/-0.029)pK(a)+2.665(+/-0.281) (n=28, r(2)=0.859, s=0.218, P<1 x 10(-6)). Using sigma+, the Brown variation of the Hammet electronic constant, as a contributing parameter, the cytotoxicity of phenols towards hepatocytes were defined by logLD(50) (microM)=-0.594(+/-0.052)logP-0.552(+/-0.085)sigma+ +4.540(+/-0.132) (n=28, r(2)=0.853, s=0.223, P<1 x 10(-6)). Replacing sigma+ with the homolytic bond dissociation energy (BDE) for (X-PhOH+PhO.-->X-PhO.+PhOH) led to logLD(50) (microM)=-0.601(+/-0.066)logP-0.040(+/-0.018)BDE+4.611(+/-0.166) (n=23, r(2)=0.827, s=0.223, P<0.05). Hydroquinone, catechol and 2-nitrophenol were outliers for the above equations. Using redox potential and logP led to a new correlation: logLD(50) (microM)=-0.529(+/-0.135)logP+2.077(+/-0.892)E(p/2)+2.806(+/-0.592) (n=15, r(2)=0.561, s=0.383, P<0.05) with 4-nitrophenol as an outlier. Our findings indicate that phenols with higher lipophilicity, BDE, or sigma+ values or with lower pK(a) and redox potential were more toxic towards hepatocytes. We also showed that a collapse of hepatocyte mitochondrial membrane potential preceded the cytotoxicity of most phenols. Our study indicates that one or a combination of mechanisms; i.e. mitochondrial uncoupling, phenoxy radicals, or phenol metabolism to quinone methides and quinones, contribute to phenol cytotoxicity towards hepatocytes depending on the phenol chemical structure.

Effect of structural carbohydrates and lignin content on the anaerobic digestion of paper and paper board materials by anaerobic granular sludge.

PubMed

Gonzalez-Estrella, Jorge; Asato, Caitlin M; Jerke, Amber C; Stone, James J; Gilcrease, Patrick C

2017-05-01

Anaerobic digestion (AD) of lignocellulosic materials is commonly limited by the hydrolysis step. Unlike unprocessed lignocellulosic materials, paper and paper board (PPB) are processed for their fabrication. Such modifications may affect their methane yields and methane production rates. Previous studies have investigated the correlation between lignin and biomethane yields of unprocessed lignocellulosic materials; nevertheless, there is limited knowledge regarding the relationship between the AD kinetic parameters and composition of PPB. This study evaluated correlations of methane yields and Monod and Gompertz kinetic parameters with structural carbohydrates, lignin, and ash concentration of five types of PPBs. All components were used as single and combined independent variables in linear regressions to predict methane yield, maximum specific methanogenic activity (SMA max ), saturation constant (K s ), and lag phase (λ). Additionally, microbial community profiles were obtained for each PPB assay. Results showed methane yields ranging from 69.2 ± 8.61 to 97.2 ± 2.29% of PPB substrates provided. The highest correlation coefficients were obtained for SMA max as function of hemicellulose/(lignin + ash) (R 2  = 0.86) and for λ as a function of lignin + cellulose (R 2  = 0.85). All other parameters exhibited weaker correlations (R 2  ≤ 0.77). Relative abundance analyses revealed no major changes in the community profile for each of the substrates evaluated. The overall findings of this study are: (i) combinations of structural carbohydrates, lignin, and ash used as ratios of degradable to either non-degradable or slowly degradable fractions predict AD kinetic parameters of PPB materials better than single independent variables; and (ii) other components added during their fabrication may also influence both methane yield and kinetic parameters. Biotechnol. Bioeng. 2017;114: 951-960. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Theoretical studies of the defect structures for the two Cr3+ centers in KCl

NASA Astrophysics Data System (ADS)

Liu, Xu-Sheng; Wu, Shao-Yi; Wu, Li-Na; Zhang, Li-Juan; Guo, Jia-Xing; Dong, Hui-Ning

2017-06-01

The spin Hamiltonian (SH) parameters (i.e. the zero-field splitting parameters (ZFSPs) and g factors) and local structures of the two Cr3+ centers I and II at room temperature in KCl single crystals are theoretically investigated from the perturbation calculations for a rhombically distorted octahedral 3d3 cluster. The impurity systems are attributed to the doped Cr(CN)63- groups into KCl replacing the host KCl65- ones, associated with two nearest neighbor potassium vacancies VK in [011] and [ 0 1 bar 1 bar ] axes in center I and one nearest neighbor VK along [ 0 1 bar 1 ] and another next-nearest neighbor VK along [100] axis in center II, respectively. In center I, the four coplanar and two axial ligands CN- undergo the shifts ∆R1 (≈0.0044 nm) away from the VK and ∆R2‧ (≈0.0144 nm) away from the central ion along Z axis, respectively, because of the electrostatic interactions. In center II, the impurity Cr3+ is found to undergo the shift ∆RC (≈0.0063 nm) towards the nearest neighbor VK along [ 0 1 bar 1 ] axis, while the two ligands in [001] and [ 0 1 bar 0 ] axes closest to the VK undergo the shifts ∆R1 (≈0.0081 nm) away from the respective VK, and the ligand intervening in the VK and the central ion experiences the shift ∆R2 (≈0.0238 nm) away from the VK along [100] axis. The charge-transfer (CT) contributions to g-shifts are found to be opposite in sign and more than half (characterized by the ratios |ΔgCT/ΔgCF|>50%) in magnitude compared with the CF ones for both centers. The local structures and the microscopic mechanisms of the relevant impurity and ligand shifts are discussed for the two centers.

Foot Type Biomechanics Part 2: are structure and anthropometrics related to function?

PubMed

Mootanah, Rajshree; Song, Jinsup; Lenhoff, Mark W; Hafer, Jocelyn F; Backus, Sherry I; Gagnon, David; Deland, Jonathan T; Hillstrom, Howard J

2013-03-01

Many foot pathologies are associated with specific foot types. If foot structure and function are related, measurement of either could assist with differential diagnosis of pedal pathologies. Biomechanical measures of foot structure and function are related in asymptomatic healthy individuals. Sixty-one healthy subjects' left feet were stratified into cavus (n=12), rectus (n=27) and planus (n=22) foot types. Foot structure was assessed by malleolar valgus index, arch height index, and arch height flexibility. Anthropometrics (height and weight), age, and walking speed were measured. Foot function was assessed by center of pressure excursion index, peak plantar pressure, maximum force, and gait pattern parameters. Foot structure and anthropometric variables were entered into stepwise linear regression models to identify predictors of function. Measures of foot structure and anthropometrics explained 10-37% of the model variance (adjusted R(2)) for gait pattern parameters. When walking speed was included, the adjusted R(2) increased to 45-77% but foot structure was no longer a factor. Foot structure and anthropometrics predicted 7-47% of the model variance for plantar pressure and 16-64% for maximum force parameters. All multivariate models were significant (p<0.05), supporting acceptance of the hypothesis. Foot structure and function are related in asymptomatic healthy individuals. The structural parameters employed are basic measurements that do not require ionizing radiation and could be used in a clinical setting. Further research is needed to identify additional predictive parameters (plantar soft tissue characteristics, skeletal alignment, and neuromuscular control) and to include individuals with pathology. Copyright © 2012. Published by Elsevier B.V.

Foot Type Biomechanics Part 2: Are structure and anthropometrics related to function?

PubMed Central

Mootanah, Rajshree; Song, Jinsup; Lenhoff, Mark W.; Hafer, Jocelyn F.; Backus, Sherry I.; Gagnon, David; Deland, Jonathan T.; Hillstrom, Howard J.

2013-01-01

Background Many foot pathologies are associated with specific foot types. If foot structure and function are related, measurement of either could assist with differential diagnosis of pedal pathologies. Hypothesis Biomechanical measures of foot structure and function are related in asymptomatic healthy individuals. Methods Sixty-one healthy subjects' left feet were stratified into cavus (n = 12), rectus (n = 27) and planus (n = 22) foot types. Foot structure was assessed by malleolar valgus index, arch height index, and arch height flexibility. Anthropometrics (height and weight), age, and walking speed were measured. Foot function was assessed by center of pressure excursion index, peak plantar pressure, maximum force, and gait pattern parameters. Foot structure and anthropometric variables were entered into stepwise linear regression models to identify predictors of function. Results Measures of foot structure and anthropometrics explained 10–37% of the model variance (adjusted R2) for gait pattern parameters. When walking speed was included, the adjusted R2 increased to 45–77% but foot structure was no longer a factor. Foot structure and anthropometrics predicted 7–47% of the model variance for plantar pressure and 16–64% for maximum force parameters. All multivariate models were significant (p < 0.05), supporting acceptance of the hypothesis. Discussion and conclusion Foot structure and function are related in asymptomatic healthy individuals. The structural parameters employed are basic measurements that do not require ionizing radiation and could be used in a clinical setting. Further research is needed to identify additional predictive parameters (plantar soft tissue characteristics, skeletal alignment, and neuromuscular control) and to include individuals with pathology. PMID:23107624

Brain perfusion evaluated by regional tissue oxygenation as a possible quality indicator of ongoing cardiopulmonary resuscitation. An experimental porcine cardiac arrest study.

PubMed

Bouček, Tomáš; Mlček, Mikuláš; Krupičková, Petra; Huptych, Michal; Belza, Tomáš; Kittnar, Otomar; Linhart, Aleš; Bělohlávek, Jan

2018-05-01

Relationship between regional tissue oxygenation (rSO 2 ) and microcirculatory changes during cardiac arrest (CA) are still unclear. Therefore, we designed an experimental study to correlate rSO 2 , microcirculation and systemic hemodynamic parameters in a porcine model of CA. Ventricular fibrillation was induced in 24 female pigs (50±3kg) and left for three minutes untreated followed by five minutes of mechanical CPR. Regional and peripheral saturations were assessed by near-infrared spectroscopy, sublingual microcirculation by Sidestream Dark Field technology and continuous hemodynamic parameters, including systemic blood pressure (MAP) and carotid blood flow (CF), during baseline, CA and CPR periods. The Wilcoxon Signed-Rank test, the Friedman test and the partial correlation method were used to compare these parameters. Brain and peripheral rSO 2 showed a gradual decrease during CA and only an increase of brain rSO 2 during mechanical CPR (34.5 to 42.5; p=0.0001), reflected by a rapid decrease of microcirculatory and hemodynamic parameters during CA and a slight increase during CPR. Peripheral rSO 2 was not changed significantly during CPR (38 to 38.5; p=0.09). We only found a moderate correlation of cerebral/peripheral rSO 2 to microcirculatory parameters (PVD: r=0.53/0.46; PPV: r=0.6/0.5 and MFI: r=0.64/0.52) and hemodynamic parameters (MAP: r=0.64/0.71 and CF: 0.71/0.67). Our experimental study confirmed that monitoring brain and peripheral rSO 2 is an easy-to-use method, well reflecting the hemodynamics during CA. However, only brain rSO 2 reflects the CPR efforts and might be used as a potential quality indicator for CPR.

Performance of μMRI-Based Virtual Bone Biopsy for Structural and Mechanical Analysis at the Distal Tibia at 7T Field Strength

PubMed Central

Bhagat, Yusuf A.; Rajapakse, Chamith S.; Magland, Jeremy F.; Love, James H.; Wright, Alexander C.; Wald, Michael J.; Song, Hee Kwon; Wehrli, Felix W.

2010-01-01

Purpose To assess the performance of a 3D fast spin echo (FSE) pulse sequence utilizing out-of-slab cancellation through phase alternation and micro magnetic resonance imaging (μMRI) based virtual bone biopsy processing methods to probe the serial reproducibility and sensitivity of structural and mechanical parameters of the distal tibia at 7.0T. Materials and Methods The distal tibia of five healthy subjects was imaged at three time-points with a 3D FSE sequence at 137×137×410 μm3 voxel size. Follow-up images were retrospectively 3D registered to baseline images. Coefficients of variation (CV) and intraclass correlation coefficients (ICC) for measures of scale and topology of the whole tibial trabecular bone (TB) cross-section as well as finite-element derived Young’s and shear moduli of central cuboidal TB sub-volumes (8 × 8 × 5 mm3) were evaluated as measures of reproducibility and reliability. Four additional cubic TB sub-regions (anterior, medial, lateral and posterior) of similar dimensions were extracted and analyzed to determine associations between whole cross-section and sub-regional structural parameters. Results Mean SNR over the fifteen image acquisitions was 27.5 ± 2.1. Retrospective registration yielded an average common analysis volume of 67% across the 3 exams per subject. Reproducibility (mean CV=3.6%; range, 1.5–5%) and reliability (ICCs, 0.95–0.99) of all parameters permitted parameter-based discrimination of the five subjects in spite of the narrow age range (26–36 years) covered. Parameters characterizing topology were better able to distinguish two individuals who demonstrated similar values for scalar measurements (~34% difference, p<0.001). Whole-section axial stiffness encompassing the cortex was superior at distinguishing 2 individuals relative to its central sub-regional TB counterpart (~8% difference; p<0.05). Inter-region comparisons showed that although all parameters were correlated (mean R2 = 0.78; range 0.57 to 0.99), the strongest associations observed were those for the erosion index (mean R2 = 0.95, p≤0.01). Conclusion The reproducibility, and structural and mechanical parameter-based discriminative ability achieved in five healthy subjects suggests that 7T-derived μMRI of TB can be applied towards serial patient studies of osteoporosis and may enable earlier detection of disease or treatment-based effects. PMID:21274979

Structure determination of two modulated gamma-brass structures in the Zn-Pd System through a (3 + 1)-dimensional space description.

PubMed

Gourdon, Olivier; Izaola, Zunbeltz; Elcoro, Luis; Petricek, Vaclav; Miller, Gordon J

2009-10-19

The structure determination of two composite compounds in the Zn-Pd system with close relationships to the cubic gamma-brass structure Zn(11-delta)Pd(2+delta) is reported. Their structures have been solved from single crystal X-ray diffraction data within a (3 + 1)-dimensional [(3 + 1)D] formalism. Zn(75.7(7))Pd(24.3) and Zn(78.8(7))Pd(21.2) crystallize with orthorhombic symmetry, superspace group Xmmm(00gamma)0s0 (X = [(1/2,1/2,0,0); (0,1/2,1/2,1/2); (1/2,0,1/2,1/2)]), with the following lattice parameters, respectively: a(s) = 12.929(3) A, b(s) = 9.112(4) A, c(s) = 2.5631(7) A, q = 8/13 c* and V(s) = 302.1(3) A(3) and a(s) = 12.909(3) A, b(s) = 9.115(3) A, c(s) = 2.6052(6) A, q = 11/18 c* and V(s) = 306.4(2) A(3). Their structures may be considered as commensurate because they can be refined in the conventional 3D space groups (Cmce and Cmcm, respectively) using supercells, but they also refined within the (3 + 1)D formalism to residual factors R = 3.14% for 139 parameters and 1184 independent reflections for Zn(75.7(7))Pd(24.3) and R = 3.16% for 175 parameters and 1804 independent reflections for Zn(78.8(7))Pd(21.2). The use of the (3 + 1)D formalism improves the results of the refinement and leads to a better understanding of the complexity of the atomic arrangement through the various modulations (occupation waves and displacive waves). Our refinements emphasize a unique Pd/Zn occupancy modulation at the center of distorted icosahedra, a modulation which correlates with the distortion of these polyhedra.

Forest canopy structural controls over throughfall affect soil microbial community structure in an epiphyte-laden maritime oak stand

NASA Astrophysics Data System (ADS)

Van Stan, J. T., II; Rosier, C. L.; Schrom, J. O.; Wu, T.; Reichard, J. S.; Kan, J.

2014-12-01

Identifying spatiotemporal influences on soil microbial community (SMC) structure is critical to understanding of patterns in nutrient cycling and related ecological services. Since forest canopy structure alters the spatiotemporal patterning of precipitation water and solute supplies to soils (via the "throughfall" mechanism), is it possible changes in SMC structure variability could arise from modifications in canopy elements? Our study investigates this question by monitoring throughfall water and dissolved ion supply to soils beneath a continuum of canopy structure: from a large gap (0% cover) to heavy Tillandsia usneoides L. (Spanish moss) canopy (>90% cover). Throughfall water supply diminished with increasing canopy cover, yet increased washoff/leaching of Na+, Cl-, PO43-, and SO42- from the canopy to the soils (p < 0.01). Presence of T. usneoides diminished throughfall NO3-, but enhanced NH4+, concentrations supplied to subcanopy soils. The mineral soil horizon (0-10 cm) from canopy gaps, bare canopy, and T. usneoides-laden canopy significantly differed (p < 0.05) in soil chemistry parameters (pH, Ca2+, Mg2+, CEC). PCR-DGGE banding patterns beneath similar canopy covers (experiencing similar throughfall dynamics) also produced high similarities per ANalyses Of SIMilarity (ANO-SIM), and clustered together when analyzed by Nonmetric Multidimensional Scaling (NMDS). Correlation analysis of DGGE banding patterns, throughfall dynamics, and soil chemistry yielded significant correlations (p < 0.05) between fungal communities and soil chemical properties significantly differing between canopy cover types (pH: r2 = 0.50; H+ %-base saturation: r2 = 0.48; Ca2+ %-base saturation: r2 = 0.43). Bacterial community structure correlated with throughfall NO3-, NH4+, and Ca2+ concentrations (r2 = 0.37, p = 0.16). These results suggest that modifications of forest canopy structures are capable of affecting mineral-soil horizon SMC structure via the throughfall mechanism when canopies' biomass distribution is highly heterogeneous.

Uncertainty analysis of hydrological modeling in a tropical area using different algorithms

NASA Astrophysics Data System (ADS)

Rafiei Emam, Ammar; Kappas, Martin; Fassnacht, Steven; Linh, Nguyen Hoang Khanh

2018-01-01

Hydrological modeling outputs are subject to uncertainty resulting from different sources of errors (e.g., error in input data, model structure, and model parameters), making quantification of uncertainty in hydrological modeling imperative and meant to improve reliability of modeling results. The uncertainty analysis must solve difficulties in calibration of hydrological models, which further increase in areas with data scarcity. The purpose of this study is to apply four uncertainty analysis algorithms to a semi-distributed hydrological model, quantifying different source of uncertainties (especially parameter uncertainty) and evaluate their performance. In this study, the Soil and Water Assessment Tools (SWAT) eco-hydrological model was implemented for the watershed in the center of Vietnam. The sensitivity of parameters was analyzed, and the model was calibrated. The uncertainty analysis for the hydrological model was conducted based on four algorithms: Generalized Likelihood Uncertainty Estimation (GLUE), Sequential Uncertainty Fitting (SUFI), Parameter Solution method (ParaSol) and Particle Swarm Optimization (PSO). The performance of the algorithms was compared using P-factor and Rfactor, coefficient of determination (R 2), the Nash Sutcliffe coefficient of efficiency (NSE) and Percent Bias (PBIAS). The results showed the high performance of SUFI and PSO with P-factor>0.83, R-factor <0.56 and R 2>0.91, NSE>0.89, and 0.18

Process optimization for ultrasonic vibration assisted polishing of micro-structured surfaces on super hard material

NASA Astrophysics Data System (ADS)

Sun, Zhiyuan; Guo, Bing; Rao, Zhimin; Zhao, Qingliang

2014-08-01

In consideration of the excellent property of SiC, the ground micro-structured surface quality is hard to meet the requirement - consequently the ultrasonic vibration assisted polishing (UVAP) of micro-structures of molds is proposed in this paper. Through the orthogonal experiment, the parameters of UVAP of micro-structures were optimized. The experimental results show that, abrasive polishing process, the effect of the workpiece feed rate on the surface roughness (Ra), groove tip radius (R) and material removal rate (MRR) of micro-structures is significant. While, the UVAP, the most significant effect factor for Ra, R and MRR is the ultrasonic amplitude of the ultrasonic vibration. In addition, within the scope of the polishing process parameters selected by preliminary experiments, ultrasonic amplitude of 2.5μm, polishing force of 0.5N, workpiece feed rate of 5 mm·min-1, polishing wheel rotational speed of 50rpm, polishing time of 35min, abrasive size of 100nm and the polishing liquid concentration of 15% is the best technology of UVAP of micro-structures. Under the optimal parameters, the ground traces on the micro-structured surface were removed efficiently and the integrity of the edges of the micro-structure after grinding was maintained efficiently.

[Endotoxin Contamination and Correlation with Other Water Quality Parameters of Groundwater from Self-Contained Wells in Beijing].

PubMed

Zhang, Can; Liu, Wen-jun; Ao, Lu; Shi, Yun; An, Dai-zhi; Liu, Zhi-ping

2015-12-01

A survey of endotoxin activity in groundwater from 14 self-contained wells in PLA units stationed in Beijing was conducted by the kinetic-turbid assay of Tachypleus Amebocyte Lysate (TAL). Bacteriological parameters, including total cell counts detected by flow cytometry, heterotrophic plate counts (HPC), standard plate counts and total coliforms were analyzed. Additionally, suspended particles, turbidity, dissolved organic carbon (DOC), and UV₂₅₄ were investigated. Total endotoxin activities ranged from 0. 15 to 13.20 EU · mL⁻¹, free endotoxin activities ranged from 0.10 to 5.29 EU · mL⁻¹ and bound endotoxin activities ranged from 0.01 to 8.60 EU · mL⁻¹. Most of the endotoxins in heavily contaminated groundwater existed as bound endotoxins. As for total endotoxins, the sequence of correlation coefficients with other parameters was total cell counts (r = 0.88 ) > HPC (r = 0.79) > DOC (r = 0.77) > UV₂₅₄ (r = 0.57) > total coliforms (r = 0.50) > standard plate counts (r = 0.49) = turbidity (r = 0. 49) > total particles (r = 0.41). The sequence of correlations of the bound endotoxins with other parameters was total cell counts (r = 0.81) > HPC (r = 0.66) > total coliforms (r = 0.65) > turbidity (r = 0.62) > total particles (r = 0.58) > standard plate counts (r = 0.22). Free endotoxins were correlated with DOC and UV₂₅₄, r = 0.58 and 0.26, respectively. Result showed free endotoxins had a higher correlation with DOC, and a lower correlation with UV₂₅₄.

Structure-Function Relationship between Flicker-Defined Form Perimetry and Spectral-Domain Optical Coherence Tomography in Glaucoma Suspects.

PubMed

Reznicek, Lukas; Muth, Daniel; Vogel, Michaela; Hirneiß, Christoph

2017-03-01

To evaluate the relationship between functional parameters of repeated flicker-defined form perimetry (FDF) and structural parameters of spectral-domain optical coherence tomography (SD-OCT) in glaucoma suspects with normal findings in achromatic standard automated perimetry (SAP). Patients with optic nerve heads (ONH) clinically suspicious for glaucoma and normal SAP findings were enrolled in this prospective study. Each participant underwent visual field (VF) testing with FDF perimetry, using the Heidelberg Edge Perimeter (HEP, Heidelberg Engineering, Heidelberg, Germany) at two consecutive visits. Peripapillary RNFL thickness was obtained by SD-OCT (Spectralis, Heidelberg Engineering, Heidelberg, Germany). Correlations and regression analyses of global and sectoral peripapillary RNFL thickness with corresponding global and regional VF sensitivities were investigated. A consecutive series of 65 study eyes of 36 patients were prospectively included. The second FDF test (HEP II) was used for analysis. Cluster-point based suspicious VF defects were found in 34 eyes (52%). Significant correlations were observed between mean global MD (PSD) of HEP II and SD-OCT-based global peripapillary RNFL thickness (r = 0.380, p = 0.003 for MD and r = -0.516, p < 0.001 for PSD) and RNFL classification scores (R 2 = 0.157, p = 0.002 for MD and R 2 = 0.172, p = 0.001 for PSD). Correlations between mean global MD and PSD of HEP II and sectoral peripapillary RNFL thickness and classification scores showed highest correlations between function and structure for the temporal superior and temporal inferior sectors whereas sectoral MD and PSD correlated weaker with sectoral RNFL thickness. Correlations between linear RNFL values and untransformed logarithmic MD values for each segment were less significant than correlations between logarithmic MD values and RNFL thickness. In glaucoma suspects with normal SAP, global and sectoral peripapillary RNFL thickness is correlated with sensitivity and VF defects in FDF perimetry.

Effect of dilution in the cobalt subsystem on phase transitions in rare-earth cobaltites RBaCo4- x M x O7 (R = Dy-Er, Yb, Y; M = Al, Zn)

NASA Astrophysics Data System (ADS)

Kazei, Z. A.; Snegirev, V. V.; Kozeeva, L. P.; Kameneva, M. Yu.

2016-01-01

We have experimentally studied the structural and elastic characteristics of rare-earth cobaltites RBaCo4- x M x O7 (R = Dy-Er, Yb, Y), in which cobalt ions are partly substituted by diamagnetic Al or Zn ions. It was found that small substitution of Co3+ ions by Al3+ ions in the YbRBaCo4- x M x O7 system ( x = 0.1, 0.2, 0.5) leads to a rapid decrease and smearing of Δ E( T) /E 0 anomalies of the Young's modulus in the region of the structural phase transition, which is accompanied by increasing hysteresis. Pure rare-earth cobaltites RBaCo4O7 (R = Dy-Er, Y) exhibit a correlation between the room-temperature structure distortion and hysteresis on the Δ E( T)/ E 0 curve in a temperature interval of 80-280 K. In Zn-substituted cobaltites RBaCoZn3O7, both the hysteresis and Δ E( T)/ E 0 anomalies disappear, as do low-temperature sound absorption maxima. This behavior is evidence of the suppression of structural and magnetic phase transitions and the retention of only short-range correlations of the order parameter in Zn-substituted samples.

Structural and luminescence properties of Dy3+ doped bismuth phosphate glasses for greenish yellow light applications

NASA Astrophysics Data System (ADS)

Damodaraiah, S.; Reddy Prasad, V.; Babu, S.; Ratnakaram, Y. C.

2017-05-01

Different compositions of (5, 10, 15 and 20 mol%) of bismuth and different concentrations (0.5, 1.0, 1.5 and 2.0 mol%) of Dy3+ ion doped bismuth phosphate (BiP) glasses were synthesized by melt-quenching technique. The structural characterization was accomplished by XRD, SEM with EDS, FTIR, FT-Raman and 31P MAS NMR spectroscopy. The optical properties were studied using absorption and photoluminescence spectroscopy. Different structural groups were identified using FTIR and FT-Raman spectra. The depolymerization of metaphosphate chains are described by the decrease of Q2 tetrahedral sites allowing the formation of pyrophosphate groups (Q1) revealed by 31P MAS NMR spectroscopic investigations. Judd-Ofelt intensity parameters Ωλ (λ = 2, 4 and 6) were evaluated from absorption spectra. Radiative parameters such as radiative lifetimes (τR), integrated absorption cross-sections (Σ) and branching ratios (βR) were calculated using Judd-Ofelt intensity parameters. From photoluminescence spectra, experimental branching ratios (βexp) and stimulated emission cross-sections (σP) were calculated for all the observed emission transitions of prepared glasses. The decay profiles for 4F9/2 level were recorded and fit exponential for 0.5 mol% and non-exponential for higher concentrations of Dy3+ due to non-radiative energy transfer among excited Dy3+ ions. The CIE chromaticity co-ordinates have been calculated from the luminescence spectra which confirmed greenish yellow light emission.

Magnetism and Hyperfine Parameters in Iron Rich Gd_2Fe_{17-x}Si_x Intermetallics

NASA Astrophysics Data System (ADS)

Nouri, K.; Bartoli, T.; Chrobak, A.; Moscovici, J.; Bessais, L.

2018-04-01

Gd_2Fe_{17-x}Si_x (x = 0.25 , 0.5 and 1) samples were synthesized by arc melting and annealed at 1073 K for 1 week. X-ray diffraction analysis by the Rietveld method has shown that these materials crystallize in the rhombohedral Th_2Zn_{17} -type structure (space group R\\bar{3}m ). The Curie temperature increases with Si content x, whereas the unit-cell parameters decrease slightly. The temperature dependence of magnetization data revealed that Gd_2Fe_{17-x}Si_x exhibits a second-order ferromagnetic to paramagnetic phase transition in the vicinity of the Curie temperature. Exchange coupling parameters of R-R, M-M and R-M (R—rare earth, M—transition metal) have been determined from M(T) magnetization curves based on the mean field theory calculation. The magnetic entropy change Δ S_M and the relative cooling power were estimated from isothermal magnetization curves for all samples. In the proximity of {T}_C and in an applied field of 1.56 T, Δ S_M reached a maximum values of 1.38, 1.67 and 3.07 J/kg K for x = 0.25, 0.5 and 1, respectively. We have calculated the magnetic moment per Fe atom from magnetization measurements at 293 K up to 17 kOe, and it decreases with Si content. These results are verified by the Mössbauer spectrometry measurements obtained at the same temperature. The Mössbauer spectra analysis is based on the correlation between the Wigner-Seitz volume and the isomer-shift evolution of each specific site 6c, 9d, 18f, and 18h of the R\\bar{3} m structure. For all Si concentrations, the magnitude of the hyperfine fields are {H_HF}{6c} > {H_HF}{9d} > {H_HF}{18f} > {H_HF}{18h} . The mean hyperfine field decreases with the Si content.

Magnetism and Hyperfine Parameters in Iron Rich Gd_2Fe_{17-x}Si_x Intermetallics

NASA Astrophysics Data System (ADS)

Nouri, K.; Bartoli, T.; Chrobak, A.; Moscovici, J.; Bessais, L.

2018-07-01

Gd_2Fe_{17-x}Si_x (x = 0.25, 0.5 and 1) samples were synthesized by arc melting and annealed at 1073 K for 1 week. X-ray diffraction analysis by the Rietveld method has shown that these materials crystallize in the rhombohedral Th_2Zn_{17}-type structure (space group R\\bar{3}m). The Curie temperature increases with Si content x, whereas the unit-cell parameters decrease slightly. The temperature dependence of magnetization data revealed that Gd_2Fe_{17-x}Si_x exhibits a second-order ferromagnetic to paramagnetic phase transition in the vicinity of the Curie temperature. Exchange coupling parameters of R- R, M- M and R- M ( R—rare earth, M—transition metal) have been determined from M( T) magnetization curves based on the mean field theory calculation. The magnetic entropy change Δ S_M and the relative cooling power were estimated from isothermal magnetization curves for all samples. In the proximity of {T}_C and in an applied field of 1.56 T, Δ S_M reached a maximum values of 1.38, 1.67 and 3.07 J/kg K for x = 0.25, 0.5 and 1, respectively. We have calculated the magnetic moment per Fe atom from magnetization measurements at 293 K up to 17 kOe, and it decreases with Si content. These results are verified by the Mössbauer spectrometry measurements obtained at the same temperature. The Mössbauer spectra analysis is based on the correlation between the Wigner-Seitz volume and the isomer-shift evolution of each specific site 6 c, 9 d, 18 f, and 18 h of the R\\bar{3}m structure. For all Si concentrations, the magnitude of the hyperfine fields are {H_HF}{6c} > {H_HF}{9d} > {H_HF}{18f} > {H_HF}{18h}. The mean hyperfine field decreases with the Si content.

Guide to Technical Documents. Volume 2. January 1982 through December 1982

DTIC Science & Technology

1982-12-01

and could weigh 600 MN (133 x 10 Ib) submerged. R-11 S.... -- R-854-1 R-850 A Finite Element Head Injury Model, Vol. 1: Theory , Efficiency Study of...winter freezeback has been parameters for the classical theories of plasticity and visco- apparent, this movement is minimal compared to settlement...from 0% to 35%, depending on the structures’ t/D ° ADA089300 and L/D o ratios, from that reported previously. Theory is formulated for effects of an

Ultrasound-based quantification of vitreous floaters correlates with contrast sensitivity and quality of life.

PubMed

Mamou, Jonathan; Wa, Christianne A; Yee, Kenneth M P; Silverman, Ronald H; Ketterling, Jeffrey A; Sadun, Alfredo A; Sebag, J

2015-01-22

Clinical evaluation of floaters lacks quantitative assessment of vitreous structure. This study used quantitative ultrasound (QUS) to measure vitreous opacities. Since floaters reduce contrast sensitivity (CS) and quality of life (Visual Function Questionnaire [VFQ]), it is hypothesized that QUS will correlate with CS and VFQ in patients with floaters. Twenty-two eyes (22 subjects; age = 57 ± 19 years) with floaters were evaluated with Freiburg acuity contrast testing (FrACT; %Weber) and VFQ. Ultrasonography used a customized probe (15-MHz center frequency, 20-mm focal length, 7-mm aperture) with longitudinal and transverse scans taken in primary gaze and a horizontal longitudinal scan through premacular vitreous in temporal gaze. Each scan set had 100 frames of log-compressed envelope data. Within each frame, two regions of interest (ROIs) were analyzed (whole-central and posterior vitreous) to yield three parameters (energy, E; mean amplitude, M; and percentage of vitreous filled by echodensities, P50) averaged over the entire 100-frame dataset. Statistical analyses evaluated E, M, and P50 correlations with CS and VFQ. Contrast sensitivity ranged from 1.19%W (normal) to 5.59%W. All QUS parameters in two scan positions within the whole-central ROI correlated with CS (R > 0.67, P < 0.001). P50 in the nasal longitudinal position had R = 0.867 (P < 0.001). Correlations with VFQ ranged from R = 0.52 (P < 0.013) to R = 0.65 (P < 0.001). Quantitative ultrasound provides quantitative measures of vitreous echodensity that correlate with CS and VFQ, providing objective assessment of vitreous structure underlying the functional disturbances induced by floaters, useful to quantify vitreous disease severity and the response to therapy. Copyright 2015 The Association for Research in Vision and Ophthalmology, Inc.

Ultrasound-Based Quantification of Vitreous Floaters Correlates with Contrast Sensitivity and Quality of Life

PubMed Central

Mamou, Jonathan; Wa, Christianne A.; Yee, Kenneth M. P.; Silverman, Ronald H.; Ketterling, Jeffrey A.; Sadun, Alfredo A.; Sebag, J.

2015-01-01

Purpose. Clinical evaluation of floaters lacks quantitative assessment of vitreous structure. This study used quantitative ultrasound (QUS) to measure vitreous opacities. Since floaters reduce contrast sensitivity (CS) and quality of life (Visual Function Questionnaire [VFQ]), it is hypothesized that QUS will correlate with CS and VFQ in patients with floaters. Methods. Twenty-two eyes (22 subjects; age = 57 ± 19 years) with floaters were evaluated with Freiburg acuity contrast testing (FrACT; %Weber) and VFQ. Ultrasonography used a customized probe (15-MHz center frequency, 20-mm focal length, 7-mm aperture) with longitudinal and transverse scans taken in primary gaze and a horizontal longitudinal scan through premacular vitreous in temporal gaze. Each scan set had 100 frames of log-compressed envelope data. Within each frame, two regions of interest (ROIs) were analyzed (whole-central and posterior vitreous) to yield three parameters (energy, E; mean amplitude, M; and percentage of vitreous filled by echodensities, P50) averaged over the entire 100-frame dataset. Statistical analyses evaluated E, M, and P50 correlations with CS and VFQ. Results. Contrast sensitivity ranged from 1.19%W (normal) to 5.59%W. All QUS parameters in two scan positions within the whole-central ROI correlated with CS (R > 0.67, P < 0.001). P50 in the nasal longitudinal position had R = 0.867 (P < 0.001). Correlations with VFQ ranged from R = 0.52 (P < 0.013) to R = 0.65 (P < 0.001). Conclusions. Quantitative ultrasound provides quantitative measures of vitreous echodensity that correlate with CS and VFQ, providing objective assessment of vitreous structure underlying the functional disturbances induced by floaters, useful to quantify vitreous disease severity and the response to therapy. PMID:25613948

White matter integrity in polydrug users in relation to attachment and personality: a controlled diffusion tensor imaging study.

PubMed

Unterrainer, H F; Hiebler, M; Ragger, K; Froehlich, L; Koschutnig, K; Schoeggl, H; Kapfhammer, H P; Papousek, I; Weiss, E M; Fink, A

2016-12-01

The relationship between substance use disorders (SUD) and brain deficits has been studied extensively. However, there is still a lack of research focusing on the structural neural connectivity in long-term polydrug use disorder (PUD). Since a deficiency in white matter integrity has been reported as being related to various parameters of increased psychopathology, it might be considered an aggravating factor in the treatment of SUD. In this study we compared two groups of PUD inpatients (abstinent: n = 18, in maintenance treatment: n = 15) to healthy controls (n = 16) with respect to neural connectivity in white matter, and their relation to behavioral parameters of personality factors/organization and attachment styles. Diffusion Tensor Imaging was used to investigate white matter structure. Compared with healthy controls, the PUD patients showed reduced fractional anisotropy (FA) and increased radial diffusivity (RD) mainly in the superior fasciculus longitudinalis and the superior corona radiata. These findings suggest diminished neural connectivity as a result of myelin pathology in PUD patients. In line with our assumptions, we observed FA in the biggest cluster as negatively correlated with anxious attachment (r = 0.36, p < 0.05), personality dysfunctioning (r = -0.41; p < 0.01) as well positively correlated with personality factors Openness (r = 0.34; p < 0.05) and Agreeableness (r = 0.28; p < 0.05). Correspondingly these findings were inversely mirrored by RD. Further research employing enhanced samples and addressing longitudinally neuronal plastic effects of SUD treatment in relation to changes in personality and attachment is recommended.

Cosmological Constraints from the Redshift Dependence of the Volume Effect Using the Galaxy 2-point Correlation Function across the Line of Sight

NASA Astrophysics Data System (ADS)

Li, Xiao-Dong; Park, Changbom; Sabiu, Cristiano G.; Park, Hyunbae; Cheng, Cheng; Kim, Juhan; Hong, Sungwook E.

2017-08-01

We develop a methodology to use the redshift dependence of the galaxy 2-point correlation function (2pCF) across the line of sight, ξ ({r}\\perp ), as a probe of cosmological parameters. The positions of galaxies in comoving Cartesian space varies under different cosmological parameter choices, inducing a redshift-dependent scaling in the galaxy distribution. This geometrical distortion can be observed as a redshift-dependent rescaling in the measured ξ ({r}\\perp ). We test this methodology using a sample of 1.75 billion mock galaxies at redshifts 0, 0.5, 1, 1.5, and 2, drawn from the Horizon Run 4 N-body simulation. The shape of ξ ({r}\\perp ) can exhibit a significant redshift evolution when the galaxy sample is analyzed under a cosmology differing from the true, simulated one. Other contributions, including the gravitational growth of structure, galaxy bias, and the redshift space distortions, do not produce large redshift evolution in the shape. We show that one can make use of this geometrical distortion to constrain the values of cosmological parameters governing the expansion history of the universe. This method could be applicable to future large-scale structure surveys, especially photometric surveys such as DES and LSST, to derive tight cosmological constraints. This work is a continuation of our previous works as a strategy to constrain cosmological parameters using redshift-invariant physical quantities.

Identification of Structural Features of Condensed Tannins That Affect Protein Aggregation

PubMed Central

Ropiak, Honorata M.; Lachmann, Peter; Ramsay, Aina; Green, Rebecca J.; Mueller-Harvey, Irene

2017-01-01

A diverse panel of condensed tannins was used to resolve the confounding effects of size and subunit composition seen previously in tannin-protein interactions. Turbidimetry revealed that size in terms of mean degree of polymerisation (mDP) or average molecular weight (amw) was the most important tannin parameter. The smallest tannin with the relatively largest effect on protein aggregation had an mDP of ~7. The average size was significantly correlated with aggregation of bovine serum albumin, BSA (mDP: r = -0.916; amw: r = -0.925; p<0.01; df = 27), and gelatin (mDP: r = -0.961; amw: r = -0.981; p<0.01; df = 12). The procyanidin/prodelphinidin and cis-/trans-flavan-3-ol ratios gave no significant correlations. Tryptophan fluorescence quenching indicated that procyanidins and cis-flavan-3-ol units contributed most to the tannin interactions on the BSA surface and in the hydrophobic binding pocket (r = 0.677; p<0.05; df = 9 and r = 0.887; p<0.01; df = 9, respectively). Circular dichroism revealed that higher proportions of prodelphinidins decreased the apparent α-helix content (r = -0.941; p<0.01; df = 5) and increased the apparent β-sheet content (r = 0.916; p<0.05; df = 5) of BSA. PMID:28125657

Identification of Structural Features of Condensed Tannins That Affect Protein Aggregation.

PubMed

Ropiak, Honorata M; Lachmann, Peter; Ramsay, Aina; Green, Rebecca J; Mueller-Harvey, Irene

2017-01-01

A diverse panel of condensed tannins was used to resolve the confounding effects of size and subunit composition seen previously in tannin-protein interactions. Turbidimetry revealed that size in terms of mean degree of polymerisation (mDP) or average molecular weight (amw) was the most important tannin parameter. The smallest tannin with the relatively largest effect on protein aggregation had an mDP of ~7. The average size was significantly correlated with aggregation of bovine serum albumin, BSA (mDP: r = -0.916; amw: r = -0.925; p<0.01; df = 27), and gelatin (mDP: r = -0.961; amw: r = -0.981; p<0.01; df = 12). The procyanidin/prodelphinidin and cis-/trans-flavan-3-ol ratios gave no significant correlations. Tryptophan fluorescence quenching indicated that procyanidins and cis-flavan-3-ol units contributed most to the tannin interactions on the BSA surface and in the hydrophobic binding pocket (r = 0.677; p<0.05; df = 9 and r = 0.887; p<0.01; df = 9, respectively). Circular dichroism revealed that higher proportions of prodelphinidins decreased the apparent α-helix content (r = -0.941; p<0.01; df = 5) and increased the apparent β-sheet content (r = 0.916; p<0.05; df = 5) of BSA.

Prediction of biodegradability of aromatics in water using QSAR modeling.

PubMed

Cvetnic, Matija; Juretic Perisic, Daria; Kovacic, Marin; Kusic, Hrvoje; Dermadi, Jasna; Horvat, Sanja; Bolanca, Tomislav; Marin, Vedrana; Karamanis, Panaghiotis; Loncaric Bozic, Ana

2017-05-01

The study was aimed at developing models for predicting the biodegradability of aromatic water pollutants. For that purpose, 36 single-benzene ring compounds, with different type, number and position of substituents, were used. The biodegradability was estimated according to the ratio of the biochemical (BOD 5 ) and chemical (COD) oxygen demand values determined for parent compounds ((BOD 5 /COD) 0 ), as well as for their reaction mixtures in half-life achieved by UV-C/H 2 O 2 process ((BOD 5 /COD) t1/2 ). The models correlating biodegradability and molecular structure characteristics of studied pollutants were derived using quantitative structure-activity relationship (QSAR) principles and tools. Upon derivation of the models and calibration on the training and subsequent testing on the test set, 3- and 5-variable models were selected as the most predictive for (BOD 5 /COD) 0 and (BOD 5 /COD) t1/2 , respectively, according to the values of statistical parameters R 2 and Q 2 . Hence, 3-variable model predicting (BOD 5 /COD) 0 possessed R 2 =0.863 and Q 2 =0.799 for training set, and R 2 =0.710 for test set, while 5-variable model predicting (BOD 5 /COD) 1/2 possessed R 2 =0.886 and Q 2 =0.788 for training set, and R 2 =0.564 for test set. The selected models are interpretable and transparent, reflecting key structural features that influence targeted biodegradability and can be correlated with the degradation mechanisms of studied compounds by UV-C/H 2 O 2 . Copyright © 2017 Elsevier Inc. All rights reserved.

B decays in an asymmetric left-right model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frank, Mariana; Hayreter, Alper; Turan, Ismail

2010-08-01

Motivated by recently observed disagreements with the standard model predictions in B decays, we study b{yields}d, s transitions in an asymmetric class of SU(2){sub L}xSU(2){sub R}xU(1){sub B-L} models, with a simple one-parameter structure of the right-handed mixing matrix for the quarks, which obeys the constraints from kaon physics. We use experimental constraints on the branching ratios of b{yields}s{gamma}, b{yields}ce{nu}{sub e}, and B{sub d,s}{sup 0}-B{sub d,s}{sup 0} mixing to restrict the parameters of the model: g{sub R}/g{sub L}, M{sub W{sub 2}}, M{sub H}{sup {+-}}, tan{beta} as well as the elements of the right-handed quark mixing matrix V{sub CKM}{sup R}. We presentmore » a comparison with the more commonly used (manifest) left-right symmetric model. Our analysis exposes the parameters most sensitive to b transitions and reveals a large parameter space where left- and right-handed quarks mix differently, opening the possibility of observing marked differences in behavior between the standard model and the left-right model.« less

The value of right ventricular longitudinal strain in the evaluation of adult patients with repaired tetralogy of Fallot: a new tool for a contemporary challenge.

PubMed

Almeida-Morais, Luís; Pereira-da-Silva, Tiago; Branco, Luísa; Timóteo, Ana T; Agapito, Ana; de Sousa, Lídia; Oliveira, José A; Thomas, Boban; Jalles-Tavares, Nuno; Soares, Rui; Galrinho, Ana; Cruz-Ferreira, Rui

2017-04-01

The role of right ventricular longitudinal strain for assessing patients with repaired tetralogy of Fallot is not fully understood. In this study, we aimed to evaluate its relation with other structural and functional parameters in these patients. Patients followed-up in a grown-up CHD unit, assessed by transthoracic echocardiography, cardiac MRI, and treadmill exercise testing, were retrospectively evaluated. Right ventricular size and function and pulmonary regurgitation severity were assessed by echocardiography and MRI. Right ventricular longitudinal strain was evaluated in the four-chamber view using the standard semiautomatic method. In total, 42 patients were included (61% male, 32±8 years). The mean right ventricular longitudinal strain was -16.2±3.7%, and the right ventricular ejection fraction, measured by MRI, was 42.9±7.2%. Longitudinal strain showed linear correlation with tricuspid annular systolic excursion (r=-0.40) and right ventricular ejection fraction (r=-0.45) (all p<0.05), which in turn showed linear correlation with right ventricular fractional area change (r=0.50), pulmonary regurgitation colour length (r=0.35), right ventricular end-systolic volume (r=-0.60), and left ventricular ejection fraction (r=0.36) (all p<0.05). Longitudinal strain (β=-0.72, 95% confidence interval -1.41, -0.15) and left ventricular ejection fraction (β=0.39, 95% confidence interval 0.11, 0.67) were independently associated with right ventricular ejection fraction. The best threshold of longitudinal strain for predicting a right ventricular ejection fraction of <40% was -17.0%. Right ventricular longitudinal strain is a powerful method for evaluating patients with tetralogy of Fallot. It correlated with echocardiographic right ventricular function parameters and was independently associated with right ventricular ejection fraction derived by MRI.

Investigation of magnetic and structural properties of Ni-Zr co-doped M-type Sr-La hexaferrites

NASA Astrophysics Data System (ADS)

Yang, Yujie; Wang, Fanhou; Shao, Juxiang; Huang, Duohui; Tang, Jin; Rehman, Khalid Mehmood Ur

2018-02-01

In this research, Ni2+ and Zr4+ co-doped Sr-La hexaferrites Sr0.7La0.3Fe12.0-2 x (NiZr) x O19 (0.0 ≤ x ≤ 0.5) were synthesized by the standard ceramic method. The phase identification of the hexaferrites was confirmed by X-ray diffraction analysis. X-ray diffraction analysis showed that all the samples were in single phase M-type hexagonal structure and no impurity phase was observed. Lattice parameters ( c and a) increased with increasing NiZr content ( x) from 0.0 to 0.5. The morphology of the hexaferrites was analyzed by a field emission scanning electron microscopy (FE-SEM). FE-SEM micrographs showed that the grains exhibited hexagonal shape in a plate-like structure with clear grain boundaries. Magnetization properties of the hexaferrites were carried out at room temperature using a physical property measurement system-vibrating sample magnetometer. The values of saturation magnetization ( M s), remanent magnetization ( M r) and coercivity ( H c) were calculated from magnetic hysteresis ( M- H) loops. M s and H c decreased with increasing NiZr content ( x) from 0.0 to 0.5. M r and M r/ M s ratio first increased with increasing NiZr content ( x) from 0.0 to 0.1, and then decreased when NiZr content ( x) ≥ 0.1.

A new entropy based on a group-theoretical structure

NASA Astrophysics Data System (ADS)

Curado, Evaldo M. F.; Tempesta, Piergiulio; Tsallis, Constantino

2016-03-01

A multi-parametric version of the nonadditive entropy Sq is introduced. This new entropic form, denoted by S a , b , r, possesses many interesting statistical properties, and it reduces to the entropy Sq for b = 0, a = r : = 1 - q (hence Boltzmann-Gibbs entropy SBG for b = 0, a = r → 0). The construction of the entropy S a , b , r is based on a general group-theoretical approach recently proposed by one of us, Tempesta (2016). Indeed, essentially all the properties of this new entropy are obtained as a consequence of the existence of a rational group law, which expresses the structure of S a , b , r with respect to the composition of statistically independent subsystems. Depending on the choice of the parameters, the entropy S a , b , r can be used to cover a wide range of physical situations, in which the measure of the accessible phase space increases say exponentially with the number of particles N of the system, or even stabilizes, by increasing N, to a limiting value. This paves the way to the use of this entropy in contexts where the size of the phase space does not increase as fast as the number of its constituting particles (or subsystems) increases.

An Independent Asteroseismic Analysis of the Fundamental Parameters and Internal Structure of the Solar-like Oscillator KIC 6225718

NASA Astrophysics Data System (ADS)

Wu, Tao; Li, Yan

2017-09-01

Asteroseismology is a useful tool that is usually used to probe stellar interiors and to determine stellar fundamental parameters, such as stellar mass, radius, and surface gravity. In order to probe stellar interiors, making comparisons between observations and models is usually used with the {χ }2-minimization method. The work of Wu & Li reported that the best parameter determined by the {χ }2-matching process is the acoustic radius for pure p-mode oscillations. In the present work, based on the theoretical calculations of Wu & Li, we will independently analyze the seismic observations of KIC 6225718 to determine its fundamental parameters and to investigate its interior properties. First, in order to test the method, we use it in the Sun to determine its fundamental parameters and to investigate interiors. Second, we independently determine the fundamental parameters of KIC 6225718 without any other non-seismic constraint. Therefore, those determined fundamental parameters are independent of those determined by other methods. They can be regarded as independent references in other analyses. Finally, we analyze the stellar internal structure and find that KIC 6225718 has a convective core with the size of 0.078-0.092 {R}⊙ . Its overshooting parameter {f}{ov} in the core is around 0.010. In addition, its center hydrogen {X}{{c}} is about 0.264-0.355.

Parameter sensitivity analysis and optimization for a satellite-based evapotranspiration model across multiple sites using Moderate Resolution Imaging Spectroradiometer and flux data

NASA Astrophysics Data System (ADS)

Zhang, Kun; Ma, Jinzhu; Zhu, Gaofeng; Ma, Ting; Han, Tuo; Feng, Li Li

2017-01-01

Global and regional estimates of daily evapotranspiration are essential to our understanding of the hydrologic cycle and climate change. In this study, we selected the radiation-based Priestly-Taylor Jet Propulsion Laboratory (PT-JPL) model and assessed it at a daily time scale by using 44 flux towers. These towers distributed in a wide range of ecological systems: croplands, deciduous broadleaf forest, evergreen broadleaf forest, evergreen needleleaf forest, grasslands, mixed forests, savannas, and shrublands. A regional land surface evapotranspiration model with a relatively simple structure, the PT-JPL model largely uses ecophysiologically-based formulation and parameters to relate potential evapotranspiration to actual evapotranspiration. The results using the original model indicate that the model always overestimates evapotranspiration in arid regions. This likely results from the misrepresentation of water limitation and energy partition in the model. By analyzing physiological processes and determining the sensitive parameters, we identified a series of parameter sets that can increase model performance. The model with optimized parameters showed better performance (R2 = 0.2-0.87; Nash-Sutcliffe efficiency (NSE) = 0.1-0.87) at each site than the original model (R2 = 0.19-0.87; NSE = -12.14-0.85). The results of the optimization indicated that the parameter β (water control of soil evaporation) was much lower in arid regions than in relatively humid regions. Furthermore, the optimized value of parameter m1 (plant control of canopy transpiration) was mostly between 1 to 1.3, slightly lower than the original value. Also, the optimized parameter Topt correlated well to the actual environmental temperature at each site. We suggest that using optimized parameters with the PT-JPL model could provide an efficient way to improve the model performance.

2D- and 3D-quantitative structure-activity relationship studies for a series of phenazine N,N'-dioxide as antitumour agents.

PubMed

Cunha, Jonathan Da; Lavaggi, María Laura; Abasolo, María Inés; Cerecetto, Hugo; González, Mercedes

2011-12-01

Hypoxic regions of tumours are associated with increased resistance to radiation and chemotherapy. Nevertheless, hypoxia has been used as a tool for specific activation of some antitumour prodrugs, named bioreductive agents. Phenazine dioxides are an example of such bioreductive prodrugs. Our 2D-quantitative structure activity relationship studies established that phenazine dioxides electronic and lipophilic descriptors are related to survival fraction in oxia or in hypoxia. Additionally, statistically significant models, derived by partial least squares, were obtained between survival fraction in oxia and comparative molecular field analysis standard model (r² = 0.755, q² = 0.505 and F = 26.70) or comparative molecular similarity indices analysis-combined steric and electrostatic fields (r² = 0.757, q² = 0.527 and F = 14.93), and survival fraction in hypoxia and comparative molecular field analysis standard model (r² = 0.736, q² = 0.521 and F = 18.63) or comparative molecular similarity indices analysis-hydrogen bond acceptor field (r² = 0.858, q² = 0.737 and F = 27.19). Categorical classification was used for the biological parameter selective cytotoxicity emerging also good models, derived by soft independent modelling of class analogy, with both comparative molecular field analysis standard model (96% of overall classification accuracy) and comparative molecular similarity indices analysis-steric field (92% of overall classification accuracy). 2D- and 3D-quantitative structure-activity relationships models provided important insights into the chemical and structural basis involved in the molecular recognition process of these phenazines as bioreductive agents and should be useful for the design of new structurally related analogues with improved potency. © 2011 John Wiley & Sons A/S.

Analysis of the Large Urban Fire Environment. Part II. Parametric Analysis and Model City Simulations.

DTIC Science & Technology

1982-11-01

algorithm for turning-region boundary value problem -70- d. Program control parameters: ALPHA (Qq) max’ maximum value of Qq in present coding. BETA, BLOSS...Parameters available for either system descrip- tion or program control . (These parameters are currently unused, so they are set equal to zero.) IGUESS...Parameter that controls the initial choices of first-shoot values along y = 0. IGUESS = 1: Discretized versions of P(r, 0), T(r, 0), and u(r, 0) must

Absolute Dimensions and Evolutionary Status of the Semi-detached Algol W Ursae Minoris

NASA Astrophysics Data System (ADS)

Park, Jang-Ho; Hong, Kyeongsoo; Koo, Jae-Rim; Lee, Jae Woo; Kim, Chun-Hwey

2018-03-01

Double-lined eclipsing binaries allow accurate and direct determination of fundamental parameters such as mass and radius for each component, and they provide important constraints on the stellar structure and evolution models. In this study, we aim to determine a unique set of binary parameters for the Algol system W UMi and to examine its evolutionary status. New high-resolution time-series spectroscopic observations were carried out during 14 nights from 2008 April to 2011 March, and a total of 37 spectra were obtained using the Bohyunsan Optical Echelle Spectrograph. We measured the radial velocities (RVs) for both components, and the effective temperature of the primary star was found to be T eff,1 = 9310 ± 90 K by a comparison of the observed spectra and the Kurucz models. The physical parameters of W UMi were derived by an analysis of our RV data together with the multi-band light curves of Devinney et al. The individual masses, radii, and luminosities of both components are M 1 = 3.68 ± 0.10 M ⊙ and M 2 = 1.47 ± 0.04 M ⊙, R 1 = 3.88 ± 0.03 R ⊙ and R 2 = 3.13 ± 0.03 R ⊙, and L 1 = 102 ± 1 L ⊙ and L 2 = 7.3 ± 0.1 L ⊙, respectively. A comparison of these parameters with theoretical stellar models showed that the primary component lies in the main-sequence band, while the less massive secondary is noticeably evolved. The results indicate that the initially more massive star became the present secondary by losing most of its own mass via mass transfer to the companion (present primary).

[Diagnostic value of quantitative pharmacokinetic parameters and relative quantitative pharmacokinetic parameters in breast lesions with dynamic contrast-enhanced MRI].

PubMed

Sun, T T; Liu, W H; Zhang, Y Q; Li, L H; Wang, R; Ye, Y Y

2017-08-01

Objective: To explore the differential between the value of dynamic contrast-enhanced MRI quantitative pharmacokinetic parameters and relative pharmacokinetic quantitative parameters in breast lesions. Methods: Retrospective analysis of 255 patients(262 breast lesions) who was obtained by clinical palpation , ultrasound or full-field digital mammography , and then all lessions were pathologically confirmed in Zhongda Hospital, Southeast University from May 2012 to May 2016. A 3.0 T MRI scanner was used to obtain the quantitative MR pharmacokinetic parameters: volume transfer constant (K(trans)), exchange rate constant (k(ep))and extravascular extracellular volume fraction (V(e)). And measured the quantitative pharmacokinetic parameters of normal glands tissues which on the same side of the same level of the lesions; and then calculated the value of relative pharmacokinetic parameters: rK(rans)、rk(ep) and rV(e).To explore the diagnostic value of two pharmacokinetic parameters in differential diagnosis of benign and malignant breast lesions using receiver operating curves and model of logistic regression. Results: (1)There were significant differences between benign lesions and malignant lesions in K(trans) and k(ep) ( t =15.489, 15.022, respectively, P <0.05), there were no significant differences between benign lesions and malignant lesions in V(e)( t =-2.346, P >0.05). The areas under the ROC curve(AUC)of K(trans), k(ep) and V(e) between malignant and benign lesions were 0.933, 0.948 and 0.387, the sensitivity of K(trans), k(ep) and V(e) were 77.1%, 85.0%, 51.0% , and the specificity of K(trans), k(ep) and V(e) were 96.3%, 93.6%, 60.8% for the differential diagnosis of breast lesions if taken the maximum Youden's index as cut-off. (2)There were significant differences between benign lesions and malignant lesions in rK(trans), rk(ep) and rV(e) ( t =14.177, 11.726, 2.477, respectively, P <0.05). The AUC of rK(trans), rk(ep) and rV(e) between malignant and benign lesions were 0.963, 0.903 and 0.575, the sensitivity of rK(trans), rk(ep) and rV(e) were 85.6%, 71.9%, 52.9% , and the specificity of rK(trans), rk(ep) and rV(e) were 94.5%, 92.7%, 60.6% for the differential diagnosis of breast lesions.(3)There was no significant difference in the area under the ROC curve between the predictive probability of quantitative pharmacokinetic parameters and the prediction probability of relative quantitative pharmacokinetic parameters( Z =0.867, P =0.195). Conclusion: There was no significant difference between the quantitative parameter values (K(trans,) k(ep)) and the relative quantitative parameter values (rK(trans,) rk(ep)) in diagnosis of breast lesions, which were important parameters in differential diagnosis of benign and malignant breast lesions.

Physicsdesign point for a 1MW fusion neutron source

NASA Astrophysics Data System (ADS)

Woodruff, Simon; Melnik, Paul; Sieck, Paul; Stuber, James; Romero-Talamas, Carlos; O'Bryan, John; Miller, Ronald

2016-10-01

We are developing a design point for a spheromak experiment heated by adiabatic compression for use as a compact neutron source. We utilize the CORSICA and NIMROD MHD codes as well as analytic modeling to assess a concept with target parameters R0 =0.5m, Rf =0.17m, T0 =1keV, Tf =8keV, n0 =2e20m-3 and nf = 5e21m-3, with radial convergence of C =R0/Rf =3. We present results from CORSICA showing the placement of coils and passive structure to ensure stability during compression. We specify target parameters for the compression in terms of plasma beta, formation efficiency and energy confinement. We present results simulations of magnetic compression using the NIMROD code to examine the role of rotation on the stability and confinement of the spheromak as it is compressed. Supported by DARPA Grant N66001-14-1-4044 and IAEA CRP on Compact Fusion Neutron Sources.

Microwave spectrum, structure, dipole moment, and Coriolis coupling of 1,1-difluoroallene

NASA Technical Reports Server (NTRS)

Durig, J. R.; Li, Y. S.; Tong, C. C.; Zens, A. P.; Ellis, P. D.

1974-01-01

Microwave spectra from 12.4 to 40.0 GHz were recorded for five isotopic species of 1,1-difluoroallene. A-type transitions were observed and R-branch assignments were made for the ground state and two vibrationally excited states. Several structural parameters of the compounds were determined. The dipole moment value obtained from Stark splitting was 2.07 plus or minus 0.03 D. A Coriolis coupling was observed between the two-low-frequency C = C = C bending modes.

The two-dimensional tunnel structures of K3Sb5O14 and K2Sb4O11

NASA Technical Reports Server (NTRS)

Hong, H. Y.-P.

1974-01-01

The structures of K3Sb5O14 and K2Sb4O11 have been solved by the single-crystal X-ray direct method and the heavy-atom method, respectively. The structure of K3Sb5O14 is orthorhombic, with space group Pbam and cell parameters a = 24.247 (4), b = 7.157 (2), c = 7.334 (2) A, Z = 4. The structure of K2Sb4O11 is monoclinic, with space group C2/m and cell parameters a = 19.473 (4), b = 7.542 (1), c = 7.198 (1) A, beta = 94.82 (2) deg, Z = 4. A full-matrix least-squares refinement gave R = 0.072 and R = 0.067, respectively. In both structures, oxygen atoms form an octahedron around each Sb atom and an irregular polyhedron around each K atom. By sharing corners and edges, the octahedra form a skeleton network having intersecting b-axis and c-axis tunnels. The K(+) ions, which have more than ten oxygen near neighbors, are located in these tunnels. Evidence for K(+)-ion transport within and between tunnels comes from ion exchange of the alkali ions in molten salts and anisotropic temperature factors that are anomalously large in the direction of the tunnels.

Left atrial strain and strain rate in patients with paroxysmal and persistent atrial fibrillation: relationship to left atrial structural remodeling detected by delayed-enhancement MRI.

PubMed

Kuppahally, Suman S; Akoum, Nazem; Burgon, Nathan S; Badger, Troy J; Kholmovski, Eugene G; Vijayakumar, Sathya; Rao, Swati N; Blauer, Joshua; Fish, Eric N; Dibella, Edward V R; Macleod, Rob S; McGann, Christopher; Litwin, Sheldon E; Marrouche, Nassir F

2010-05-01

Atrial fibrillation (AF) is a progressive condition that begins with hemodynamic and/or structural changes in the left atrium (LA) and evolves through paroxysmal and persistent stages. Because of limitations with current noninvasive imaging techniques, the relationship between LA structure and function is not well understood. Sixty-five patients (age, 61.2+/-14.2 years; 67% men) with paroxysmal (44%) or persistent (56%) AF underwent 3D delayed-enhancement MRI. Segmentation of the LA wall was performed and degree of enhancement (fibrosis) was determined using a semiautomated quantification algorithm. Two-dimensional echocardiography and longitudinal LA strain and strain rate during ventricular systole with velocity vector imaging were obtained. Mean fibrosis was 17.8+/-14.5%. Log-transformed fibrosis values correlated inversely with LA midlateral strain (r=-0.5, P=0.003) and strain rate (r=-0.4, P<0.005). Patients with persistent AF as compared with paroxysmal AF had more fibrosis (22+/-17% versus 14+/-9%, P=0.04) and lower midseptal (27+/-14% versus 38+/-16%, P=0.01) and midlateral (35+/-16% versus 45+/-14% P=0.03) strains. Multivariable stepwise regression showed that midlateral strain (r=-0.5, P=0.006) and strain rate (r=-0.4, P=0.01) inversely predicted the extent of fibrosis independent of other echocardiographic parameters and the rhythm during imaging. LA wall fibrosis by delayed-enhancement MRI is inversely related to LA strain and strain rate, and these are related to the AF burden. Echocardiographic assessment of LA structural and functional remodeling is quick and feasible and may be helpful in predicting outcomes in AF.

3D FSE Cube and VIPR-aTR 3.0 Tesla magnetic resonance imaging predicts canine cranial cruciate ligament structural properties.

PubMed

Racette, Molly; Al saleh, Habib; Waller, Kenneth R; Bleedorn, Jason A; McCabe, Ronald P; Vanderby, Ray; Markel, Mark D; Brounts, Sabrina H; Block, Walter F; Muir, Peter

2016-03-01

Estimation of cranial cruciate ligament (CrCL) structural properties in client-owned dogs with incipient cruciate rupture would be advantageous. The objective of this study was to determine whether magnetic resonance imaging (MRI) measurement of normal CrCL volume in an ex-vivo canine model predicts structural properties. Stifles from eight dogs underwent 3.0 Tesla 3D MRI. CrCL volume and normalized median grayscale values were determined using 3D Fast Spin Echo (FSE) Cube and Vastly under-sampled Isotropic PRojection (VIPR)-alternative repetition time (aTR) sequences. Stifles were then mechanically tested. After joint laxity testing, CrCL structural properties were determined, including displacement at yield, yield load, load to failure, and stiffness. Yield load and load to failure (R(2)=0.56, P <0.01) were correlated with CrCL volume determined by VIPR-aTR. Yield load was also correlated with CrCL volume determined by 3D FSE Cube (R(2)=0.32, P <0.05). Structural properties were not related to median grayscale values. Joint laxity and CrCL stiffness were not related to MRI parameters, but displacement at yield load was related to CrCL volume for both sequences during testing (R(2)>0.57, P <0.005). In conclusion, 3D MRI offers a predictive method for estimating canine CrCL structural properties. 3D MRI may be useful for monitoring CrCL properties in clinical trials. Copyright © 2016 Elsevier Ltd. All rights reserved.

Monoanionic molybdenum and tungsten tris(dithiolene) complexes: a multifrequency EPR study.

PubMed

Sproules, Stephen; Banerjee, Priyabrata; Weyhermüller, Thomas; Yan, Yong; Donahue, James P; Wieghardt, Karl

2011-08-01

Numerous Mo and W tris(dithiolene) complexes in varying redox states have been prepared and representative examples characterized crystallographically: [M(S(2)C(2)R(2))(3)](z) [M = Mo, R = Ph, z = 0 (1) or 1- (2); M = W, R = Ph, z = 0 (4) or 1- (5); R = CN, z = 2-, M = Mo (3) or W (6)]. Changes in dithiolene C-S and C-C bond lengths for 1 versus 2 and 4 versus 5 are indicative of ligand reduction. Trigonal twist angles (Θ) and dithiolene fold angles (α) increase and decrease, respectively, for 2 versus 1, 5 versus 4. Cyclic voltammetry reveals generally two reversible couples corresponding to 0/1- and 1-/2- reductions. The electronic structures of monoanionic molybdenum tris(dithiolene) complexes have been analyzed by multifrequency (S-, X-, Q-band) EPR spectroscopy. Spin-Hamiltonian parameters afforded by spectral simulation for each complex demonstrate the existence of two distinctive electronic structure types. The first is [Mo(IV)((A)L(3)(5-•))](1-) ((A)L = olefinic dithiolene, type A), which has the unpaired electron restricted to the tris(dithiolene) unit and is characterized by isotropic g-values and small molybdenum superhyperfine coupling. The second is formulated as [Mo(V)((B)L(3)(6-))](1-) ((B)L = aromatic dithiolene, type B) with spectra distinguished by a prominent g-anisotropy and hyperfine coupling consistent with the (d(z(2)))(1) paramagnet. The electronic structure disparity is also manifested in their electronic absorption spectra. The compound [W(bdt)(3)](1-) exhibits spin-Hamiltonian parameters similar to those of [Mo(bdt)(3)](1-) and thus is formulated as [W(V)((B)L(3)(6-))](1-). The EPR spectra of [W((A)L(3))](1-) display spin-Hamiltonian parameters that suggest their electronic structure is best represented by two resonance forms {[W(IV)((A)L(3)(5-•))](1-) ↔ [W(V)((A)L(3)(6-))](1-)}. The contrast with the corresponding [Mo(IV)((A)L(3)(5-•))](1-) complexes highlights tungsten's preference for higher oxidation states. © 2011 American Chemical Society

Density-functional theory for fluid-solid and solid-solid phase transitions.

PubMed

Bharadwaj, Atul S; Singh, Yashwant

2017-03-01

We develop a theory to describe solid-solid phase transitions. The density functional formalism of classical statistical mechanics is used to find an exact expression for the difference in the grand thermodynamic potentials of the two coexisting phases. The expression involves both the symmetry conserving and the symmetry broken parts of the direct pair correlation function. The theory is used to calculate phase diagram of systems of soft spheres interacting via inverse power potentials u(r)=ε(σ/r)^{n}, where parameter n measures softness of the potential. We find that for 1/n<0.154 systems freeze into the face centered cubic (fcc) structure while for 1/n≥0.154 the body-centred-cubic (bcc) structure is preferred. The bcc structure transforms into the fcc structure upon increasing the density. The calculated phase diagram is in good agreement with the one found from molecular simulations.

Structural study of polymorphism in methylprednisolone aceponate

NASA Astrophysics Data System (ADS)

Knyazev, A. V.; Somov, N. V.; Shipilova, A. S.; Gusarova, E. V.; Knyazeva, S. S.; Stepanova, O. V.; Chuprunov, E. V.

2017-08-01

The crystal structures of methylprednisolone aceponate were determined by X-ray diffraction analysis at temperatures 90 K and 150 K: space group P212121, a = 14.8592(2), b = 19.6844(5), c = 26.1626(4) Å, Z = 12; R = 0.0598 (T = 90 K); space group P212121, a = 6.57348(14), b = 14.8295(3), c = 26.2214(5) Å, Z = 4; R = 0.0518 (T = 150 K). Features of structural changes in the phase transition were revealed. The abrupt change in the unit cell parameters in the phase transition was shown by low-temperature X-ray powder. The methods of degree of invariance of crystal electron density and molecular Voronoi-Dirichlet polyhedra were used for the analysis of polymorphism in methylprednisolone aceponate. The atomic structure at 90 K have a translational pseudosymmetry of electron density η = 0.329(1). The decrease of number of intermolecular contacts in the high-temperature modification due to rupture of intermolecular non-valence contacts C/O was observed.

Altered activity of the sympathetic nervous system and changes in the balance of hypophyseal, pituitary and adrenal hormones in patients with cluster headache.

PubMed

Strittmatter, M; Hamann, G F; Grauer, M; Fischer, C; Blaes, F; Hoffmann, K H; Schimrigk, K

1996-05-17

Twelve patients (age 43.4 +/- 6.3 years) with episodic cluster headache (CH) were examined during the cluster period. Plasma norepinephrine levels in patients suffering from CH were significantly decreased compared with the control group (p < 0.01). There were also statistically significant correlations between norepinephrine levels and clinical features of the pain attacks including duration (r = 0.75, p < 0.05), intensity (r = 0.64, p < 0.05) and frequency (r = 0.68, p < 0.06), thereby suggesting a pathophysiological involvement of the sympathetic nervous system in CH. Increased plasma levels of plasmacortisol and ACTH in patients with CH, especially in the morning and in the evening, suggest an alteration of the feedback circuit involving the hypothalamus, the pituitary and the adrenal gland, an imbalance in the hormones related to these structures, as well as an alteration of the circadian rhythm. In addition, CH patients demonstrated significantly decreased levels of norepinephrine (p < 0.05), HVA (p < 0.01) and 5-HIAA (p < 0.01) in the cerebrospinal fluid (CSF) consistent with a central genesis of CH. These significant relationships between neurochemical parameters and the clinical patterns suggest a complex interplay between the hypothalamus, neuroendocrinological parameters, activity of the autonomic nervous system and the pain of CH.

Estimation of Global Subsurface Thermal Structure from Satellite Remote Sensing Observations Based on Machine Learning

NASA Astrophysics Data System (ADS)

Su, H.; Yan, X. H.

2017-12-01

Subsurface thermal structure of the global ocean is a key factor that reflects the impact of the global climate variability and change. Accurately determining and describing the global subsurface and deeper ocean thermal structure from satellite measurements is becoming even more important for understanding the ocean interior anomaly and dynamic processes during recent global warming and hiatus. It is essential but challenging to determine the extent to which such surface remote sensing observations can be used to develop information about the global ocean interior. This study proposed a Support Vector Regression (SVR) method to estimate Subsurface Temperature Anomaly (STA) in the global ocean. The SVR model can well estimate the global STA upper 1000 m through a suite of satellite remote sensing observations of sea surface parameters (including Sea Surface Height Anomaly (SSHA), Sea Surface Temperature Anomaly (SSTA), Sea Surface Salinity Anomaly (SSSA) and Sea Surface Wind Anomaly (SSWA)) with in situ Argo data for training and testing at different depth levels. Here, we employed the MSE and R2 to assess SVR performance on the STA estimation. The results from the SVR model were validated for the accuracy and reliability using the worldwide Argo STA data. The average MSE and R2 of the 15 levels are 0.0090 / 0.0086 / 0.0087 and 0.443 / 0.457 / 0.485 for 2-attributes (SSHA, SSTA) / 3-attributes (SSHA, SSTA, SSSA) / 4-attributes (SSHA, SSTA, SSSA, SSWA) SVR, respectively. The estimation accuracy was improved by including SSSA and SSWA for SVR input (MSE decreased by 0.4% / 0.3% and R2 increased by 1.4% / 4.2% on average). While, the estimation accuracy gradually decreased with the increase of the depth from 500 m. The results showed that SSSA and SSWA, in addition to SSTA and SSHA, are useful parameters that can help estimate the subsurface thermal structure, as well as improve the STA estimation accuracy. In future, we can figure out more potential and useful sea surface parameters from satellite remote sensing as input attributes so as to further improve the STA sensing accuracy from machine learning. This study can provide a helpful technique for studying thermal variability in the ocean interior which has played an important role in recent global warming and hiatus from satellite observations over global scale.

Atom and receptor based 3D QSAR models for generating new conformations from pyrazolopyrimidine as IL-2 inducible tyrosine kinase inhibitors.

PubMed

Ul-Haq, Zaheer; Effendi, Juweria Shahrukh; Ashraf, Sajda; Bkhaitan, Majdi M

2017-06-01

In the current study, quantitative three-dimensional structure-activity-relationship (3D-QSAR) method was performed to design a model for new chemical entities by utilizing pyrazolopyrimidines. Their inhibiting activity on receptor IL-2 Itk correlates descriptors based on topology and hydrophobicity. The best model developed by ligand-based (atom-based) approach has correlation-coefficient of r 2 : 0.987 and cross-validated squared correlation-coefficient of q 2 : 0.541 with an external prediction capability of r 2 : 0.944. Whereas the best selected model developed by structured-based (receptor-based) approach has correlation-coefficient of r 2 : 0.987, cross-validated squared correlation-coefficient of q 2 : 0.637 with an external predictive ability of r 2 : 0.941. The statistical parameters prove that structure-based gave a better model to design new chemical scaffolds. The results achieved indicated that hydrophobicity at R 1 location play a vital role in the inhibitory activity and introduction of appropriately bulky and strongly hydrophobic-groups at position 3 of the terminal phenyl-group which is highly significant to enhance the activity. Six new pyrazolopyrimidine derivatives were designed. Docking simulation study was carried out and their inhibitory activity was predicted by the best structure based model with predictive activity of ranging from 8.43 to 8.85 log unit. The interacting residues PHE435, ASP500, LYS391, GLU436, MET438, CYS442, ILE369, VAL377 of PDB 4HCT were studied with respect to type of bonding with the new compounds. This study was aimed to search out more potent inhibitors of IL-2 Itk. Copyright © 2017 Elsevier Inc. All rights reserved.

Three-dimensional quantitative structure-activity relationship studies on UGT1A9-mediated 3-O-glucuronidation of natural flavonols using a pharmacophore-based comparative molecular field analysis model.

PubMed

Wu, Baojian; Morrow, John Kenneth; Singh, Rashim; Zhang, Shuxing; Hu, Ming

2011-02-01

Glucuronidation is often recognized as one of the rate-determining factors that limit the bioavailability of flavonols. Hence, design and synthesis of more bioavailable flavonols would benefit from the establishment of predictive models of glucuronidation using kinetic parameters [e.g., K(m), V(max), intrinsic clearance (CL(int)) = V(max)/K(m)] derived for flavonols. This article aims to construct position (3-OH)-specific comparative molecular field analysis (CoMFA) models to describe UDP-glucuronosyltransferase (UGT) 1A9-mediated glucuronidation of flavonols, which can be used to design poor UGT1A9 substrates. The kinetics of recombinant UGT1A9-mediated 3-O-glucuronidation of 30 flavonols was characterized, and kinetic parameters (K(m), V(max), CL(int)) were obtained. The observed K(m), V(max), and CL(int) values of 3-O-glucuronidation ranged from 0.04 to 0.68 μM, 0.04 to 12.95 nmol/mg/min, and 0.06 to 109.60 ml/mg/min, respectively. To model UGT1A9-mediated glucuronidation, 30 flavonols were split into the training (23 compounds) and test (7 compounds) sets. These flavonols were then aligned by mapping the flavonols to specific common feature pharmacophores, which were used to construct CoMFA models of V(max) and CL(int), respectively. The derived CoMFA models possessed good internal and external consistency and showed statistical significance and substantive predictive abilities (V(max) model: q(2) = 0.738, r(2) = 0.976, r(pred)(2) = 0.735; CL(int) model: q(2) = 0.561, r(2) = 0.938, r(pred)(2) = 0.630). The contour maps derived from CoMFA modeling clearly indicate structural characteristics associated with rapid or slow 3-O-glucuronidation. In conclusion, the approach of coupling CoMFA analysis with a pharmacophore-based structural alignment is viable for constructing a predictive model for regiospecific glucuronidation rates of flavonols by UGT1A9.

Conversion of broadband IR radiation and structural disorder in lithium niobate single crystals with low photorefractive effect

NASA Astrophysics Data System (ADS)

Litvinova, Man Nen; Syuy, Alexander V.; Krishtop, Victor V.; Pogodina, Veronika A.; Ponomarchuk, Yulia V.; Sidorov, Nikolay V.; Gabain, Aleksei A.; Palatnikov, Mikhail N.; Litvinov, Vladimir A.

2016-11-01

The conversion of broadband IR radiation when the noncritical phase matching condition is fulfilled in lithium niobate (LiNbO3) single crystals with stoichiometric (R = Li/Nb = 1) and congruent (R = 0.946) compositions, as well as in congruent single crystals doped with zinc has been investigated. It is shown that the spectrum parameters of converted radiation, such as the conversion efficiency, spectral width and position of maximum, depend on the ordering degree of structural units of the cation sublattice along the polar axis of crystal.

Old friends in a new light: “SnSb” revisited

NASA Astrophysics Data System (ADS)

Norén, Lasse; Withers, Ray L.; Schmid, Siegbert; Brink, Frank J.; Ting, Valeska

2006-02-01

The binary pnictide 'SnSb' has been re-investigated using a combination of X-ray, synchrotron and electron diffraction as well as electron microprobe analysis. Its structure was found to be incommensurately modulated with an underlying rhombohedral parent structure of space group symmetry R3¯m (No. 166), unit cell parameters a=b=4.3251(4) Å, c=5.3376(6) Å in the hexagonal setting. The incommensurate primary modulation wave vector q=1.3109(9)ch* and the superspace group symmetry is R3¯m (0, 0, ˜1.311) (No. 166.1). The refinement of the incommensurate structure indicates that the satellite reflections arise from displacive shifts of presumably essentially pure Sn and Sb layers along the hexagonal c-axis, with increasing distance between the Sn-layers and decreasing distance between the Sb layers.

Structural, dielectric and magnetic properties of ZnFe2O4-Na0.5Bi0.5TiO3 multiferroic composites

NASA Astrophysics Data System (ADS)

Bhasin, Tanvi; Agarwal, Ashish; Sanghi, Sujata; Yadav, Manisha; Tuteja, Muskaan; Singh, Jogender; Rani, Sonia

2018-04-01

Multiferroic xNa0.5Bi0.5TiO3-(1-x)ZnFe2O4 (x=0.10, 0.20) composites were prepared by conventional solid state reaction method. Rietveld analysis of XRD data shows that samples exhibit both cubic (Fd-3m) and rhombohedral (R3c) crystal structure. Structural parameters and unit cell volume of samples vary with composition. The dielectric constant and dielectric loss (tanδ) display dispersion at low frequency due to space charge polarization and inhomogeneity in the composites. Magnetic analysis depicts the antiferromagnetic behavior of composites and magnetization is enhanced with the introduction of ferrite (ZnFe2O4) phase.

Molecular structures of Se(SCH3)2 and Te(SCH3)2 using gas-phase electron diffraction and ab initio and DFT geometry optimisations.

PubMed

Fleischer, Holger; Wann, Derek A; Hinchley, Sarah L; Borisenko, Konstantin B; Lewis, James R; Mawhorter, Richard J; Robertson, Heather E; Rankin, David W H

2005-10-07

The molecular structures of Se(SCH(3))(2) and Te(SCH(3))(2) were investigated using gas-phase electron diffraction (GED) and ab initio and DFT geometry optimisations. While parameters involving H atoms were refined using flexible restraints according to the SARACEN method, parameters that depended only on heavy atoms could be refined without restraints. The GED-determined geometric parameters (r(h1)) are: rSe-S 219.1(1), rS-C 183.2(1), rC-H 109.6(4) pm; angleS-Se-S 102.9(3), angleSe-S-C 100.6(2), angleS-C-H (mean) 107.4(5), phiS-Se-S-C 87.9(20), phiSe-S-C-H 178.8(19) degrees for Se(SCH(3))(2), and rTe-S 238.1(2), rS-C 184.1(3), rC-H 110.0(6) pm; angleS-Te-S 98.9(6), angleTe-S-C 99.7(4), angleS-C-H (mean) 109.2(9), phiS-Te-S-C 73.0(48), phiTe-S-C-H 180.1(19) degrees for Te(SCH(3))(2). Ab initio and DFT calculations were performed at the HF, MP2 and B3LYP levels, employing either full-electron basis sets [3-21G(d) or 6-31G(d)] or an effective core potential with a valence basis set [LanL2DZ(d)]. The best fit to the GED structures was achieved at the MP2 level. Differences between GED and MP2 results for rS-C and angleS-Te-S were explained by the thermal population of excited vibrational states under the experimental conditions. All theoretical models agreed that each compound exists as two stable conformers, one in which the methyl groups are on the same side (g(+)g(-) conformer) and one in which they are on different sides (g(+)g(+) conformer) of the S-Y-S plane (Y = Se, Te). The conformational composition under the experimental conditions could not be resolved from the GED data. Despite GED R-factors and ab initio and DFT energies favouring the g(+)g(+) conformer, it is likely that both conformers are present, for Se(SCH(3))(2) as well as for Te(SCH(3))(2).

Spatial effects of aboveground biomass on soil ecological parameters and trace gas fluxes in a savannah ecosystem of Mount Kilimanjaro

NASA Astrophysics Data System (ADS)

Becker, Joscha; Gütlein, Adrian; Sierra Cornejo, Natalia; Kiese, Ralf; Hertel, Dietrich; Kuzyakov, Yakov

2015-04-01

The savannah biome is a hotspot for biodiversity and wildlife conservation in Africa and recently got in the focus of research on carbon sequestration. Savannah ecosystems are under strong pressure from climate and land-use change, especially around populous areas like the Mt. Kilimanjaro region. Savannah vegetation in this area consists of grassland with isolated trees and is therefore characterized by high spatial variation of canopy cover, aboveground biomass and root structure. Canopy structure is known to affect microclimate, throughfall and evapotranspiration and thereby controls soil moisture conditions. Consequently, the canopy structure is a major regulator for soil ecological parameters and soil-atmospheric trace gas exchange (CO2, N2O, CH4) in water limited environments. The spatial distribution of these parameters and the connection between above and belowground processes are important to understand and predict ecosystem changes and estimate its vulnerability. Our objective was to determine trends and changes of soil parameters and relate their spatial variability to the vegetation structure. We chose three trees from each of the two most dominant species (Acacia nilotica and Balanites aegyptiaca) in our research area. For each tree, we selected transects with nine sampling points of the same relative distances to the stem. Distances were calculated in relation to the crown radius. At these each sampling point a soil core was taken and separated in 0-10 cm and 10-30 cm depth. We measured soil carbon (C) and nitrogen (N) storage, microbial biomass carbon C and N, soil respiration as well as root biomass and -density, soil temperature and soil water content. Each tree was characterized by crown spread, leaf area index and basal area. Preliminary results show that C and N stocks decreased about 50% with depth independently of distance to the tree. Soil water content under the tree crown increased with depth while it decreased under grass cover. Microbial Biomass C and N in the upper 10 cm decreased with distance (C: r²=0.22, p<0.001; N: r²=0.3, p<0.001) as well as total soil respiration. This decrease was affected by tree size but independent from tree species. We conclude that savannah ecosystems exhibit a large spatial variability of soil parameters within the upper horizons which is strongly depend on the structure of aboveground biomass.

Scaling estimates of vegetation structure in Amazonian tropical forests using multi-angle MODIS observations

PubMed Central

de Moura, Yhasmin Mendes; Hilker, Thomas; Goncalves, Fabio Guimarães; Galvão, Lênio Soares; dos Santos, João Roberto; Lyapustin, Alexei; Maeda, Eduardo Eiji; de Jesus Silva, Camila Valéria

2018-01-01

Detailed knowledge of vegetation structure is required for accurate modelling of terrestrial ecosystems, but direct measurements of the three dimensional distribution of canopy elements, for instance from LiDAR, are not widely available. We investigate the potential for modelling vegetation roughness, a key parameter for climatological models, from directional scattering of visible and near-infrared (NIR) reflectance acquired from NASA’s Moderate Resolution Imaging Spectroradiometer (MODIS). We compare our estimates across different tropical forest types to independent measures obtained from: (1) airborne laser scanning (ALS), (2) spaceborne Geoscience Laser Altimeter System (GLAS)/ICESat, and (3) the spaceborne SeaWinds/QSCAT. Our results showed linear correlation between MODIS-derived anisotropy to ALS-derived entropy (r2= 0.54, RMSE=0.11), even in high biomass regions. Significant relationships were also obtained between MODIS-derived anisotropy and GLAS-derived entropy (0.52≤ r2≤ 0.61; p<0.05), with similar slopes and offsets found throughout the season, and RMSE between 0.26 and 0.30 (units of entropy). The relationships between the MODIS-derived anisotropy and backscattering measurements (σ0) from SeaWinds/QuikSCAT presented an r2 of 0.59 and a RMSE of 0.11. We conclude that multi-angular MODIS observations are suitable to extrapolate measures of canopy entropy across different forest types, providing additional estimates of vegetation structure in the Amazon. PMID:29618964

Echocardiographic parameters and brain natriuretic peptide in patients after surgical repair of tetralogy of Fallot.

PubMed

Tatani, Solange B; Carvalho, Antonio Carlos C; Andriolo, Adagmar; Rabelo, Rogério; Campos, Orlando; Moises, Valdir A

2010-04-01

Although the residual lesions after surgical correction of tetralogy of Fallot (TOF) can be evaluated by Doppler echocardiography (DE), the relation of DE parameters with the proBNP level, a potential biomarker of right ventricle overload, is not well known. The objective of this study was to evaluate the DE parameters and their relation to proBNP levels. proBNP plasma level and Doppler echocardiography parameters were obtained on the same day in 49 patients later after repair of TOF (mean age of 14.7 years, 51% female, mean PO time of 9.5 years). The DE parameters studied were the dimensions of the right atrium (RA) and ventricle (RV), RV diastolic and systolic function, and residual pulmonary lesions. The relation between them and proBNP levels were analyzed and the cutoff values of DE parameters for elevated proBNP determined. proBNP was elevated in 53% and correlated with RV diastolic diameter (r = 0.41; P = 0.003), RA longitudinal (r = 0.52; P = 0.0001) and transversal (r = 0.47; P = 0.001) diameters, pressure half time of pulmonary regurgitation (PR) velocity (PHT) (r =-0.42; P = 0.005), and the PR index (r =-0.60; P < 0.001). By multivariate analysis, the PR index (r =-597; P = 0,001; CI: -913.2 to -280.8) and RA longitudinal (r = 7.74; P < 0,001; CI 4.18 to 11.31) were independent predictors of elevated proBNP. PHT lower than 64 msec (0.76) and PRi lower than 0.65 (0.81) had the best accuracy for elevated proBNP. proBNP may be increased in patients after surgical repair of TOF, correlated with the size of right cardiac chambers and the severity of PR.

VizieR Online Data Catalog: VEGAS-SSS photometry of NGC3115 (Cantiello+, 2015)

NASA Astrophysics Data System (ADS)

Cantiello, M.; Capaccioli, M.; Napolitano, N.; Grado, A.; Limatola, L.; Paolillo, M.; Iodice, E.; Romanowsky, A. J.; Forbes, D. A.; Raimondo, G.; Spavone, M.; La Barbera, F.; Puzia, T. H.; Schipani, P.

2015-03-01

We present g and i band photometry for ~47000 extended and point-like objects in the ~0.8 square degree area centred on NGC3115. For ~30000 object in the catalogue, structural parameters are also available. For each object equatorial coordinates, galactocentric distance from the photometric center of NGC3115, magnitudes in g and i bands (SDSS calibrated), colour, local extinction and sctructural parameters. (1 data file).

Structural correlation of the chalcogenide Ge40Se60 glass

NASA Astrophysics Data System (ADS)

Moharram, A. H.

2017-01-01

Binary Ge40Se60 glass was prepared using the melt-quench technique. The total structure factors, S( K), are obtained using the X-ray diffraction in the wave vector interval 0.28 ≤ K ≤ 6.5 Å-1. The appearance of the first sharp diffraction peak (FSDP) in the structure factor indicates the presence of the intermediate range order. Radial distribution functions, RDF( r), have been obtained using either the conventional (Fourier) transformation or the Monte Carlo simulation of the experimental X-ray data. The short range order parameters deduced from the Monte Carlo total correlation, T( r), functions are better than those obtained from the conventional (Fourier) T( r) data. Gaussian analyses of the total correlation function show that Ge2(Se1/2)6 molecular units are the basic structural units for the investigated Ge40Se60 glass.

Non-destructive electromechanical assessment (Arthro-BST) of human articular cartilage correlates with histological scores and biomechanical properties.

PubMed

Sim, S; Chevrier, A; Garon, M; Quenneville, E; Yaroshinsky, A; Hoemann, C D; Buschmann, M D

2014-11-01

The hand-held Arthro-BST™ device is used to map electromechanical properties of articular cartilage. The purpose of the study was to evaluate correlation of electromechanical properties with histological, biochemical and biomechanical properties of cartilage. Electromechanical properties (quantitative parameter (QP)) of eight human distal femurs were mapped manually ex vivo using the Arthro-BST (1 measure/site, 5 s/measure, 3209 sites). Osteochondral cores were then harvested from different areas on the femurs and assessed with the Mankin histological score. Prior to histoprocessing, cores were tested in unconfined compression. A subset of the cores was analyzed with polarized light microscopy (PLM) to assess collagen structure. Biochemical assays were done on additional cores to obtain water content and glycosaminoglycan (GAG) content. The QP corresponding to each core was calculated by averaging all QPs collected within 6 mm of the core center. The electromechanical QP correlated strongly with both the Mankin score and the PLM score (r = 0.73, P < 0.0001 and r = -0.70, P < 0.0001 respectively) thus accurately reflecting tissue quality and collagen architecture. Electromechanical QP also correlated strongly with biomechanical properties including fibril modulus (r = -0.76, P < 0.0001), matrix modulus (r = -0.69, P < 0.0001), and log of permeability (r = 0.72, P < 0.0001). The QP correlated weakly with GAG per wet weight and with water content (r = -0.50, P < 0.0003 and r = 0.39, P < 0.006 respectively). Non-destructive electromechanical QP measurements correlate strongly with histological scores and biomechanical parameters providing a rapid and reliable assessment of articular cartilage quality. Copyright © 2014 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

(Q)SAR studies to design new human choline kinase inhibitors as antiproliferative drugs.

PubMed

Campos, J M; Sánchez-Martín, R M; Conejo-García, A; Entrena, A; Gallo, M A; Espinosa, A

2006-01-01

Most of the signal transduction pathways are mediated by protein kinases regulating every aspect of cell function. Mutations which deregulate their expression or their function or both result in cancers. Therefore, protein kinase inhibitors have become the focus of development of new therapies for cancer. A comprehensive review of Choline kinase (ChoK) was published by us in 2003. Since then, molecular information of ChoK inhibitors has been accumulated. In this review, we intend to summarize the new lines of evidence that will include the design of the most active antiproliferative agents so far described against ChoK. Studies have been aimed at the establishment of structure-activity relationships and the structural parameters that define ChoK inhibitory and antiproliferative activities of a set of twenty-five acyclic biscationic pyridophane and forty acyclic biscationic quinolinephane compounds. The corresponding QSAR equation was obtained for the whole set of bisquinolinium compounds for the antiproliferative activity, taking into consideration the electronic parameter sigma(R) of R(4), the molar refractivity (MR) of R(8), and the lipophilic parameters clog P and pi(linker). The most potent antiproliferative agent shows an IC(50) = 0.45 microM, predicted by the QSAR equation, whilst its experimental value is IC(50) = 0.20 microM. Finally, toxicity assays were performed for the most promising compounds because of their interesting antiproliferative activities [IC(50 HT-29) = 0.70, 0.80, 1.50 and 1.90 microM] and low toxicity [LD(50) = 16.7, 12.5, > 25 and > 20 mg/kg of mouse]. These biological activities justify further analysis for antitumoral assays under in vivo conditions.

Correlation between some parameters of lead absorption and lead intoxication

PubMed Central

Waldron, H. A.

1971-01-01

Waldron, H. A. (1971).Brit. J. industr. Med.,28, 195-199. Correlation between some parameters of lead absorption and lead intoxication. Use has been made of data collected over a number of years from workers exposed to a lead hazard in a motor-car factory. The correlations between various parameters of lead absorption and lead intoxication were computed, including blood and urine lead concentrations, urinary coproporphyrin, ALA and PBG concentrations, and haemoglobin concentration. In all, 15 correlation coefficients were calculated, of which only six showed a statistically significant result (i.e., P<0·05). These six were blood lead and urine lead (r = 0·38, P<0·001), urine lead and coproporphyrin (r = 0·42, P<0·001), urine lead and ALA (r = 0·43, P<0·001), coproporphyrin and ALA (r = 0·75, P<0·001), ALA and PBG (r = 0·49, P<0·001), and urine lead and PBG (r = 0·19, P<0·05). PMID:5572689

Assessment of groundwater potential of the crystalline basement of Wadi-Fira (Eastern Chad) using a multi-criteria correlation analysis and Remote Sensing data

NASA Astrophysics Data System (ADS)

Brahim Mahamat, Hamza; Coz Mathieu, Le; Abderamane, Hamit; Razack, Moumtaz

2017-04-01

Access to water in the Wadi-Fira aquifer system is a crucial problem in Eastern Chad because of (i) the complexity of the hydrogeological context (fractured basement), (ii) large extent of the study area (50,000 km2); And (iii) hard-to-access field data (only 34 water points were available to determine physicochemical and hydrodynamic parameters) often associated with high uncertainty. This groundwater resource is paramount in this arid environment, to meet the water needs of an increasingly growing population (refugees from Darfur) with a predominant pastoral activity. In order to optimally exploit the available data, correlative analyzes are carried out by integrating the spatial dimension of the data with GIS tools. A three-step strategy is thus implemented, based on: (i) point field data with physicochemical and hydrodynamic parameters; (ii) maps interpolated from point data, to increase the number of ''comparable'' parameters for each site; and (iii) interpolated maps coupled to maps from Remote Sensing results describing the area's structural geomorphology (slopes, hydrographic network, faults). The first results show marked correlations between physico-chemical and hydrodynamical parameters. According to the correlation matrix, the static level correlates significantly with the dominant cations (Ca2+ ; R = 0.52) and anions (HCO3- ; R = 0.53). Correlations are lower between electrical conductivity and transmissivity, and electrical conductivity and measured static level. A negative correlation is observed between Fluorine and transmissivity (r = -0.65), and the altered horizon (r = -0.5). The most significant discharges are obtained in fissured horizons. The correlative analysis allowsto differentiate mapped sectors according to the productivity and chemical quality regarding groundwater resource. Keywords: Hydrodynamics, Hydrochemistry, Remote Sensing, SRTM, Basement aquifer, Alteration, Lineaments, Wadi-Fira, Tchad.

High-pressure synthesis and characterization of new actinide borates, AnB4O8 (An=Th, U).

PubMed

Hinteregger, Ernst; Hofer, Thomas S; Heymann, Gunter; Perfler, Lukas; Kraus, Florian; Huppertz, Hubert

2013-11-18

New actinide borates ThB4O8 and UB4O8 were synthesized under high-pressure, high-temperature conditions (5.5 GPa/1100 °C for thorium borate, 10.5 GPa/1100 °C for the isotypic uranium borate) in a Walker-type multianvil apparatus from their corresponding actinide oxide and boron oxide. The crystal structure was determined on basis of single-crystal X-ray diffraction data that were collected at room temperature. Both compounds crystallized in the monoclinic space group C2/c (Z=4). Lattice parameters for ThB4O8: a=1611.3(3), b=419.86(8), c=730.6(2) pm; β=114.70(3)°; V=449.0(2) Å(3); R1=0.0255, wR2=0.0653 (all data). Lattice parameters for UB4O8: a=1589.7(3), b=422.14(8), c=723.4(2) pm; β=114.13(3)°; V=443.1(2) Å(3); R1=0.0227, wR2=0.0372 (all data). The new AnB4O8 (An=Th, U) structure type is constructed from corner-sharing BO4 tetrahedra, which form layers in the bc plane. One of the four independent oxygen atoms is threefold-coordinated. The actinide cations are located between the boron-oxygen layers. In addition to Raman spectroscopic investigations, DFT calculations were performed to support the assignment of the vibrational bands. © 2013 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This isan open access article under the terms of the Creative Commons AttributionLicense, which permits use, distribution and reproduction in any medium,provided the original work is properly cited.

Assessment of atrial electromechanical delay and influential factors in patients with obstructive sleep apnea.

PubMed

Yagmur, Julide; Yetkin, Ozkan; Cansel, Mehmet; Acikgoz, Nusret; Ermis, Necip; Karakus, Yasin; Tasolar, Hakan

2012-03-01

The interaction between moderate-to-severe obstructive sleep apnea (OSA) and cardiac arrhythmias, especially atrial fibrillation (AF), is well known. We aimed to determine whether atrial electromechanical parameters assessed by tissue Doppler imaging (TDI) would be affected in moderate-to-severe OSA, and detect the influential factors of atrial electromechanical parameters in these patients. Interatrial and intra-atrial electromechanical delay was measured by TDI in patients with moderate-to-severe OSA (n = 64) and control subjects (n = 39). P-wave dispersion (PWD) was calculated on the 12-lead ECG. Interatrial and intra-atrial electromechanical delay was significantly higher in the OSA group when compared with the controls (52.26 ± 12.9 vs 29.61 ± 11.26, P < 0.0001 and 18.90 ± 8.13 vs 8.71 ± 5.46, P < 0.0001; respectively). PWD was higher in the OSA group (46.09 ± 13.40 ms vs 34.10 ± 10.75 ms, P < 0.0001). Interatrial electromechanical delay had a positive correlation with PWD (r = 0.490, P < 0.0001), left atrial (LA) diameter (r = 0.383, P = 0.002), LA volume index (r = 0.354, P = 0.004), and apnea-hypopnea index (r = 0.365, P = 0.003). In addition, interatrial electromechanical delay was negatively correlated with the magnitude of the lowest oxygen saturation percentage (r = -0.498, P < 0.0001). This study showed that interatrial and intra-atrial electromechanical delay and PWD were prolonged in patients with moderate-to-severe OSA. LA dilatation, hypoxemia, and the severity of the disease may contribute a prolongation in interatrial electromechanical delay via atrial structural and electrical alterations, which may predict the risk of future AF development in patients with moderate-to-severe OSA.

Clinical presentation and blood gas analysis of multiple trauma patients for prediction of standard coagulation parameters at emergency department arrival.

PubMed

Hilbert-Carius, P; Hofmann, G O; Lefering, R; Stuttmann, R; Struck, M F

2016-04-01

Trauma-induced coagulopathy (TIC) in multiple trauma patients is a potentially lethal complication. Whether quickly available laboratory parameters using point-of-care (POC) blood gas analysis (BGA) may serve as surrogate parameters for standard coagulation parameters is unknown. The present study evaluated TraumaRegister DGU® of the German Trauma Society for correlations between POC BGA parameters and standard coagulation parameters. In the setting of 197 trauma centres (172 in Germany), 86,442 patients were analysed between 2005 and 2012. Of these, 40,129 (72% men) with a mean age 46 ± 21 years underwent further analysis presenting with direct admission from the scene of the accident to a trauma centre, injury severity score (ISS) ≥ 9, complete data available for the calculation of revised injury severity classification prognosis, and blood samples with valid haemoglobin (Hb) measurements taken immediately after emergency department (ED) admission. Correlations between standard coagulation parameters and POC BGA parameters (Hb, base excess [BE], lactate) were tested using Pearson's test with a two-tailed significance level of p < 0.05. A subgroup analysis including patients with ISS > 16, ISS > 25, ISS > 16 and shock at ED admission, and patients with massive transfusion was likewise carried out. Correlations were found between Hb and prothrombin time (r = 0.497; p < 0.01), Hb and activated partial thromboplastin time (aPTT; r = -0.414; p < 0.01), and Hb and platelet count (PLT; r = 0.301; p < 0.01). Patients presenting with ISS ≥ 16 and shock (systolic blood pressure < 90 mmHg) at ED admission (n = 4,329) revealed the strongest correlations between Hb and prothrombin time (r = 0.570; p < 0.01), Hb and aPTT (r = -0.457; p < 0.01), and Hb and PLT (r = 0.412; p < 0.01). Significant correlations were also found between BE and prothrombin time (r = -0.365; p < 0.01), and BE and aPTT (r = 0.327, p < 0.01). No correlations were found between Hb, BE and lactate lactate. POC BGA parameters Hb and BE of multiple trauma patients correlated with standard coagulation parameters in a large database analysis. These correlations were particularly strong in multiple trauma patients presenting with ISS > 16 and shock at ED admission. This may be relevant for hospitals with delayed availability of coagulation studies and those without viscoelastic POC devices. Future studies may determine whether clinical presentation/BGA-oriented coagulation therapy is an appropriate tool for improving outcomes after major trauma.

Augmentation of failed human vertebrae with critical un-contained lytic defect restores their structural competence under functional loading: An experimental study.

PubMed

Alkalay, Ron N; von Stechow, Dietrich; Hackney, David B

2015-07-01

Lytic spinal lesions reduce vertebral strength and may result in their fracture. Vertebral augmentation is employed clinically to provide mechanical stability and pain relief for vertebrae with lytic lesions. However, little is known about its efficacy in strengthening fractured vertebrae containing lytic metastasis. Eighteen unembalmed human lumbar vertebrae, having simulated uncontained lytic defects and tested to failure in a prior study, were augmented using a transpedicular approach and re-tested to failure using a wedge fracture model. Axial and moment based strength and stiffness parameters were used to quantify the effect of augmentation on the structural response of the failed vertebrae. Effects of cement volume, bone mineral density and vertebral geometry on the change in structural response were investigated. Augmentation increased the failed lytic vertebral strength [compression: 85% (P<0.001), flexion: 80% (P<0.001), anterior-posterior shear: 95%, P<0.001)] and stiffness [(40% (P<0.05), 53% (P<0.05), 45% (P<0.05)]. Cement volume correlated with the compressive strength (r(2)=0.47, P<0.05) and anterior-posterior shear strength (r(2)=0.52, P<0.05) and stiffness (r(2)=0.45, P<0.05). Neither the geometry of the failed vertebrae nor its pre-fracture bone mineral density correlated with the volume of cement. Vertebral augmentation is effective in bolstering the failed lytic vertebrae compressive and axial structural competence, showing strength estimates up to 50-90% of historical values of osteoporotic vertebrae without lytic defects. This modest increase suggests that lytic vertebrae undergo a high degree of structural damage at failure, with strength only partially restored by vertebral augmentation. The positive effect of cement volume is self-limiting due to extravasation. Copyright © 2015. Published by Elsevier Ltd.

A novel perovskite-like Ta-bronze KTa1+zO3: preparation, stoichiometry, conductivity and crystal structure studies.

PubMed

Arakcheeva, A; Chapuis, G; Grinevitch, V; Shamray, V

2001-04-01

A new cubic Ta-bronze (1) KTa(1+z)(+(5-delta))O(3) [z approximately 0.107 (3)] was obtained on a cathode by molten salt electrolysis of the system K(2)TaOF(5)-K(3)TaO(2)F(4)-(KF + NaF + LiF)(eutectic). Black, metallic cubic crystals of (1) are formed together with tetragonal beta-Ta. The perovskite-like crystal structure of (1) [a = 4.005 (1) A, space group Pm3m] was refined with anharmonic displacement parameters for Ta and K atoms and anisotropic displacement parameters for a split O-atom position [KM4CCD diffractometer; lambda(Mo Kalpha); 3320 measured reflections with I > 3sigma(I); R = 0.0095, wR = 0.0065, Deltarho(min) = -0.91 e A(-3), Deltarho(max) = 0.65 e A(-3)]. Defects in the O and K atomic positions were found. (1) is a semiconductor in the temperature range 4-300 K, whereas the well studied and closely related colourless transparent crystals KTa(+5)O(3) (2) are dielectric. Differences in the properties of (1) and (2) are assumed to be connected with the existence of Ta dumb-bells statistically distributed into the KTaO(3) matrix.

Statistical Signal Process in R Language in the Pharmacovigilance Programme of India.

PubMed

Kumar, Aman; Ahuja, Jitin; Shrivastava, Tarani Prakash; Kumar, Vipin; Kalaiselvan, Vivekanandan

2018-05-01

The Ministry of Health & Family Welfare, Government of India, initiated the Pharmacovigilance Programme of India (PvPI) in July 2010. The purpose of the PvPI is to collect data on adverse reactions due to medications, analyze it, and use the reference to recommend informed regulatory intervention, besides communicating the risk to health care professionals and the public. The goal of the present study was to apply statistical tools to find the relationship between drugs and ADRs for signal detection by R programming. Four statistical parameters were proposed for quantitative signal detection. These 4 parameters are IC 025 , PRR and PRR lb , chi-square, and N 11 ; we calculated these 4 values using R programming. We analyzed 78,983 drug-ADR combinations, and the total count of drug-ADR combination was 4,20,060. During the calculation of the statistical parameter, we use 3 variables: (1) N 11 (number of counts), (2) N 1. (Drug margin), and (3) N .1 (ADR margin). The structure and calculation of these 4 statistical parameters in R language are easily understandable. On the basis of the IC value (IC value >0), out of the 78,983 drug-ADR combination (drug-ADR combination), we found the 8,667 combinations to be significantly associated. The calculation of statistical parameters in R language is time saving and allows to easily identify new signals in the Indian ICSR (Individual Case Safety Reports) database.

Cosmological parameter fittings with the BICEP2 data

NASA Astrophysics Data System (ADS)

Wu, FengQuan; Li, YiChao; Lu, YouJun; Chen, XueLei

2014-08-01

Combining the latest Planck, Wilkinson Microwave Anisotropy Probe (WMAP), and baryon acoustic oscillation (BAO) data, we exploit the recent cosmic microwave background (CMB) B-mode power spectra data released by the BICEP2 collaboration to constrain the cosmological parameters of the LCDM model, especially the primordial power spectra parameters of the scalar and the tensor modes, n s , α s , r, n t . We obtain constraints on the parameters for a lensed LCDM model using the Markov Chain Monte Carlo (MCMC) technique, the marginalized 68% bounds are r = 0.1043{-0.0914/+0.0307}, n s = 0.9617{-0.0061/+0.0061}, α s = -0.0175{-0.0097/+0.0105}, n t = 0.5198{-0.4579/+0.4515}.We find that a blue tilt for n t is favored slightly, but it is still well consistent with flat or even red tilt. Our r value is slightly smaller than the one obtained by the BICEP group, in that we permit n t as a free parameter without imposing the single-field slow roll inflation consistency relation. When we impose this relation, then r = 0.2130{-0.0609/+0.0446}. For most other parameters, the best fit values and measurement errors are not altered significantly by the introduction of the BICEP2 data.

Global electrostatic potential structures of merging flux tubes in TS-U torus plasma merging experiment

NASA Astrophysics Data System (ADS)

Sawada, Asuka; Hatano, Hironori; Akimitsu, Moe; Cao, Qinghong; Yamasaki, Kotaro; Tanabe, Hiroshi; Ono, Yasushi; TS-Group Team

2017-10-01

We have been investigating 2D potential profile of global merging tokamaks to solve high-power heating of magnetic reconnection in TS-3 and TS-3U (ST, FRC:R =0.2m, 1985-, 2017-) and TS-4 (ST, FRC:R =0.5m, 2000-), UTST (ST:R =0.45m, 2008-) and MAST (ST:R = 0.9m, 2000-) devices. These experiments made clear that the electrostatic potential well is formed not only in the downstream area of magnetic reconnection but also in the whole common (reconnected) flux area of two merging flux tubes: tokamak plasmas. This fact suggests that the ion acceleration/heating occurs in much wider region than the reconnection downstream. We studied how the potential structure depends on key reconnection parameters:guide toroidal field and plasma collisionality. We found the polarity of the guide toroidal field determines those of potential hills and wells, indicating their formation is affected by the Hall effect. The peak value of the electrostatic potential well decreased with gas pressure increasing, suggesting plasma collisionality suppresses the Hall effect. The relationship between the electrostatic potential structure and anomalous ion heating is being studied as a possible cause for the high-power heating of fast magnetic reconnection. This work was supported by JSPS KAKENHI Grant Numbers 15H05750, 15K14279 and 17H04863.

Quality of semen: a 6-year single experience study on 5680 patients.

PubMed

Cozzolino, Mauro; Coccia, Maria E; Picone, Rita

2018-02-08

The aim of our study was to evaluate the quality of semen of a large sample from general healthy population living in Italy, in order to identify possible variables that could influence several parameters of spermiogram. We conducted a cross-sectional study from February 2010 to March 2015, collecting semen samples from the general population. Semen analysis was performed according to the WHO guidelines. The collected data were inserted in a database and processed using the software Stata 12. The Mann - Whitney test was used to assess the relationship of dichotomus variables with the parameters of the spermiogram; Kruskal-Wallis test for variables with more than two categories. We used also Robust regression and Spearman correlation to analyze the relationship between age and the parameters. We collected 5680 samples of semen. The mean age of our patients was 41.4 years old. Mann-Whitney test showed that the citizenship (codified as "Italian/Foreign") influences some parameters: pH, vitality, number of spermatozoa, sperm concentration, with worse results for the Italian group. Kruskal-Wallis test showed that the single nationality influences pH, volume, Sperm motility A-B-C-D, vitality, morphology, number of spermatozoa, sperm concentration. Robust regression showed a relationship between age and several parameters: volume (p=0.04, R squared= 0.0007 β: - 0.06); sperm motility A (p<0.01; R squared 0.0051 β: 0.02); sperm motility B (p<0.01; R squared 0.02 β: -0.35); sperm motility C (p<0.01; R squared 0.01 β: 0.12); sperm motility D (p<0.01; R squared 0.006 β: 0.2); vitality (p<0.01; R squared 0.01 β: -0.32); sperm concentration (p=0.01; R squared 0.001 β: 0.19). Our patients had spermiogram's results quite better than the standard guidelines. Our study showed that the country of origin could be a factor influencing several parameters of the spermiogram in healthy population and through Robust regression confirmed a strict correlation between age and these parameters.

Effects of Ramadan Fasting on Biochemical and Anthropometric Parameters in Physically Active Men

PubMed Central

Trabelsi, Khaled; el Abed, Kais; Trepanowski, John F.; Stannard, Stephen R.; Ghlissi, Zohra; Ghozzi, Hanene; Masmoudi, Liwa; Jammoussi, Kamel; Hakim, Ahmed

2011-01-01

Purpose The aim of this study was to assess the effects of Ramadan fasting on several biochemical and anthropometric parameters in physically active men by comparing fasters and nonfasters before, during, and after Ramadan. Methods Eighteen physically active men (10 fasters and 8 nonfasters) participated in this study. Subjects visited the laboratory for a total of four sessions on the following occasions: three days before Ramadan (Bef-R), the 15th day of Ramadan (Mid-R), the 29th day of Ramadan (End-R), and 21 days after Ramadan (Post-R). During each session, subjects underwent anthropometric measurements, completed a dietary questionnaire and provided a fasting blood sample. Results Body weight and body fat percentage decreased in fasters by 1.9% (P<0.001) and 6.2% (P=0.003), respectively, but increased in nonfasters by 2.2% (P<0.001) and 10.2% (P=0.001), respectively, from Bef-R to End-R. Fasters’ hematocrit and hemoglobin increased by 5.3% (P<0.001) and 6.3% (P=0.01), respectively, from Bef-R to End-R, while neither of these parameters changed in nonfasters. Fasters experienced an increase in the following parameters from Bef-R to End-R: urea (8.7%; P<0.001), creatinine (7.5%; P<0.001), uric acid (12.7%; P<0.001), serum sodium (1.9%; P<0.001), serum chloride (2.6%; P<0.001) and high-density lipoprotein cholesterol (27.3%; P<0.001). Of these parameters, only creatinine increased (4.4%; P=0.01) in nonfasters. Conclusion We conclude that Ramadan fasting lowers body weight and body fat percentage and can elevate high-density lipoprotein cholesterol in physically active men. However, practicing aerobic exercise during a hot and humid Ramadan month can induce a state of dehydration marked by an increase in some renal function markers and serum electrolytes. PMID:22375232

Trading Habitat Patches for the Red Cockaded Woodpecker: Incorporating the Role of Landscape Structure and Uncertainty in Decision Making

DTIC Science & Technology

2007-06-11

basal area of pines 25.4 to 35 cm dbh between 0 and 9.2 m2/ha PS1, PS4 , PS12 Small Pines No. pine stems/ha < 25.4 cm dbh NA HL1, HL4...value Adj R2 AIC Fit = 2.50 + 0.0079 PS1 – 0.036 PM1 – 0.0102 PS4 – 0.019 HS12 0.063 0.033 426 Parameter p-value t-value Intercept ɘ.0001 8.23 PS1...0.125 1.54 PM1 0.038 -2.10 PS4 0.107 -1.62 HS12 0.063 -1.88 Model A – Most Parsimonious p-value Adj R2 AIC Fit = 2.02 – 0.03 PM1 0.053 0.018 427

Evaluating the Uncertainty in Exchange Parameters Determined from Off-Resonance R1ρ Relaxation Dispersion for Systems in Fast Exchange

PubMed Central

Bothe, Jameson R.; Stein, Zachary W.; Al-Hashimi, Hashim M.

2014-01-01

Spin relaxation in the rotating frame (R1ρ) is a powerful NMR technique for characterizing fast microsecond timescale exchange processes directed toward short-lived excited states in biomolecules. At the limit of fast exchange, only kex = k1 + k−1 and Φıx = pGpE(Δω)2 can be determined from R1ρ data limiting the ability to characterize the structure and energetics of the excited state conformation. Here, we use simulations to examine the uncertainty with which exchange parameters can be determined for two state systems in intermediate-to-fast exchange using off-resonance R1ρ relaxation dispersion. R1ρ data computed by solving the Bloch-McConnell equations reveals small but significant asymmetry with respect to offset (R1ρ(ΔΩ) ≠ R1ρ(−ΔΩ)), which is a hallmark of slow-to-intermediate exchange, even under conditions of fast exchange for free precession chemical exchange line broadening (kex/Δω > 10). A grid search analysis combined with bootstrap and Monte-Carlo based statistical approaches for estimating uncertainty in exchange parameters reveals that both the sign and magnitude of Δω can be determined at a useful level of uncertainty for systems in fast exchange (kex/Δω < 10) but that this depends on the uncertainty in the R1ρ data and requires a thorough examination of the multidimensional variation of χ2 as a function of exchange parameters. Results from simulations are complemented by analysis of experimental R1ρ data measured in three nucleic acid systems with exchange processes occurring on the slow (kex/Δω = 0.2; pE = ~ 0.7%), fast (kex/Δω = ~10–16; pE = ~13%) and very fast (kex = 39,000 s−1) chemical shift timescales. PMID:24819426

Quantitative structure activity relationship studies of piperazinyl phenylalanine derivatives as VLA-4/VCAM-1 inhibitors.

PubMed

Bhargava, Dinesh; Karthikeyan, C; Moorthy, N S H N; Trivedi, Piyush

2009-09-01

QSAR study was carried out for a series of piperazinyl phenylalanine derivatives exhibiting VLA-4/VCAM-1 inhibitory activity to find out the structural features responsible for the biological activity. The QSAR study was carried out on V-life Molecular Design Suite software and the derived best QSAR model by partial least square (forward) regression method showed 85.67% variation in biological activity. The statistically significant model with high correlation coefficient (r2=0.85) was selected for further study and the resulted validation parameters of the model, crossed squared correlation coefficient (q2=0.76 and pred_r2=0.42) show the model has good predictive ability. The model showed that the parameters SaaNEindex, SsClcount slogP,and 4PathCount are highly correlated with VLA-4/VCAM-1 inhibitory activity of piperazinyl phenylalanine derivatives. The result of the study suggests that the chlorine atoms in the molecule and fourth order fragmentation patterns in the molecular skeleton favour VLA-4/VCAM-1 inhibition shown by the title compounds whereas lipophilicity and nitrogen bonded to aromatic bond are not conducive for VLA-4/VCAM-1 inhibitory activity.

Deterioration of Cortical Bone Microarchitecture: Critical Component of Renal Osteodystrophy Evaluation.

PubMed

Sharma, Ashish K; Toussaint, Nigel D; Masterson, Rosemary; Holt, Stephen G; Rajapakse, Chamith S; Ebeling, Peter R; Mohanty, Sindhu T; Baldock, Paul; Elder, Grahame J

2018-05-23

Cortical bone is a significant determinant of bone strength and its deterioration contributes to bone fragility. Thin cortices and increased cortical porosity have been noted in patients with chronic kidney disease (CKD), but the "Turnover Mineralization Volume" classification of renal osteodystrophy does not emphasize cortical bone as a key parameter. We aimed to assess trabecular and cortical bone microarchitecture by histomorphometry and micro-CT in patients with CKD G5 and 5D (dialysis). Transiliac bone biopsies were performed in 14 patients undergoing kidney transplantation (n = 12) and parathyroidectomy (n = 2). Structural parameters were analysed by histomorphometry and micro-CT including trabecular bone volume, thickness (TbTh), number (TbN) and separation and cortical thickness (CtTh) and porosity (CtPo). Indices of bone remodelling and mineralisation were obtained and relationships to bone biomarkers examined. Associations were determined by Spearman's or Pearson's rank correlation coefficients. By micro-CT, trabecular parameters were within normal ranges in most patients, but all patients showed very low CtTh (127 ± 44 µm) and high CtPo (60.3 ± 22.5%). CtPo was inversely related to TbN (r = -0.56; p = 0.03) by micro-CT and to TbTh (r = -0.60; p = 0.024) by histomorphometry and correlated to parathyroid hormone values (r = 0.62; p = 0.021). By histomorphometry, bone turnover was high in 50%, low in 21% and normal in 29%, while 36% showed abnormal patterns of mineralization. Significant positive associations were observed between osteoblast surface, osteoclast surface, mineralization surface and bone turnover markers. Deterioration of cortical -microarchitecture despite predominantly normal trabecular parameters reinforces the importance of comprehensive cortical evaluation in patients with CKD. © 2018 S. Karger AG, Basel.

PROGEN: An automated modelling algorithm for the generation of complete protein structures from the α-carbon atomic coordinates

NASA Astrophysics Data System (ADS)

Mandal, Chhabinath; Linthicum, D. Scott

1993-04-01

A modelling algorithm (PROGEN) for the generation of complete protein atomic coordinates from only the α-carbon coordinates is described. PROGEN utilizes an optimal geometry parameter (OGP) database for the positioning of atoms for each amino acid of the polypeptide model. The OGP database was established by examining the statistical correlations between 23 different intra-peptide and inter-peptide geometric parameters relative to the α-carbon distances for each amino acid in a library of 19 known proteins from the Brookhaven Protein Database (BPDB). The OGP files for specific amino acids and peptides were used to generate the atomic positions, with respect to α-carbons, for main-chain and side-chain atoms in the modelled structure. Refinement of the initial model was accomplished using energy minimization (EM) and molecular dynamics techniques. PROGEN was tested using 60 known proteins in the BPDB, representing a wide spectrum of primary and secondary structures. Comparison between PROGEN models and BPDB crystal reference structures gave r.m.s.d. values for peptide main-chain atoms between 0.29 and 0.76 Å, with a grand average of 0.53 Å for all 60 models. The r.m.s.d. for all non-hydrogen atoms ranged between 1.44 and 1.93 Å for the 60 polypeptide models. PROGEN was also able to make the correct assignment of cis- or trans-proline configurations in the protein structures examined. PROGEN offers a fully automatic building and refinement procedure and requires no special or specific structural considerations for the protein to be modelled.

Trading Habitat Patches for the Red Cockaded Woodpecker: Incorporating the Role of Landscape Structure and Uncertainty in Decision Making

DTIC Science & Technology

2007-06-11

to 35 cm dbh 2b. basal area of pines 25.4 to 35 cm dbh between 0 and 9.2 m2/ha PS1, PS4 , PS12 Small Pines No. pine stems/ha < 25.4 cm dbh...1Model A p-value Adj R2 AIC Fit = 2.50 + 0.0079 PS1 – 0.036 PM1 – 0.0102 PS4 – 0.019 HS12 0.063 0.033 426 Parameter p-value t-value Intercept...0.0001 8.23 PS1 0.125 1.54 PM1 0.038 -2.10 PS4 0.107 -1.62 HS12 0.063 -1.88 Model A – Most Parsimonious p-value Adj R2 AIC Fit = 2.02 – 0.03 PM1

Mitochondrial Biomarkers Reflect Semen Quality: Results from the MARCHS Study in Chongqing, China

PubMed Central

Zhang, Guowei; Wang, Zhi; Ling, Xi; Zou, Peng; Yang, Huan; Chen, Qing; Zhou, Niya; Sun, Lei; Gao, Jianfang; Zhou, Ziyuan; Cao, Jia; Ao, Lin

2016-01-01

Unexplained infertility requires that more sensitive and mechanism-based biomarkers should be developed and used independently of or in addition to conventional semen parameters for an infertility diagnosis. In the present study, semen samples were collected from young men participating in the Male Reproductive Health in Chongqing College students (MARCHS) cohort study in the follow-up stage in 2014. Conventional semen parameters were measured in all 656 participants, whereas sperm mitochondrial membrane potential (MMP), mitochondrial DNA copy number (mtDNAcn), mtDNA integrity and apoptotic parameters were measured among 627, 386, 362, and 628 participants, respectively. We found that sperm MMP was significantly positively correlated with all of conventional semen parameters including semen volume (r = 0.090, p = 0.025), sperm concentration (r = 0.301, p<0.01), total sperm count (r = 0.324, p<0.01), and progressive motility (r = 0.399, p<0.01); sperm MMP was also negatively correlated with Annexin V+ sperm (r = -0.553, p<0.01); mtDNAcn was significantly negatively correlated with sperm concentration (r = -0.214, p<0.01), total sperm count (r = -0.232, p<0.01), and progressive motility (r = -0.164, p = 0.01); mtDNA integrity was also significantly positively correlated with sperm concentration (r = 0.195, p<0.01), total sperm count (r = 0.185, p<0.01), and progressive motility (r = 0.106, p = 0.043). After adjusting for potential confounders, these relationships remained significant. Furthermore, we explored the potential effects of lifestyles on such mitochondrial biomarkers and found that the current drinkers displayed a higher level of sperm MMP; additionally, mt DNAcn was increased with age. The results indicated that certain mitochondrial biomarkers could serve as predictors of semen quality in a general population, and the study provides a baseline for the effects of population characteristics and lifestyles on such mitochondrial markers. PMID:28006017

Mitochondrial Biomarkers Reflect Semen Quality: Results from the MARCHS Study in Chongqing, China.

PubMed

Zhang, Guowei; Wang, Zhi; Ling, Xi; Zou, Peng; Yang, Huan; Chen, Qing; Zhou, Niya; Sun, Lei; Gao, Jianfang; Zhou, Ziyuan; Cao, Jia; Ao, Lin

2016-01-01

Unexplained infertility requires that more sensitive and mechanism-based biomarkers should be developed and used independently of or in addition to conventional semen parameters for an infertility diagnosis. In the present study, semen samples were collected from young men participating in the Male Reproductive Health in Chongqing College students (MARCHS) cohort study in the follow-up stage in 2014. Conventional semen parameters were measured in all 656 participants, whereas sperm mitochondrial membrane potential (MMP), mitochondrial DNA copy number (mtDNAcn), mtDNA integrity and apoptotic parameters were measured among 627, 386, 362, and 628 participants, respectively. We found that sperm MMP was significantly positively correlated with all of conventional semen parameters including semen volume (r = 0.090, p = 0.025), sperm concentration (r = 0.301, p<0.01), total sperm count (r = 0.324, p<0.01), and progressive motility (r = 0.399, p<0.01); sperm MMP was also negatively correlated with Annexin V+ sperm (r = -0.553, p<0.01); mtDNAcn was significantly negatively correlated with sperm concentration (r = -0.214, p<0.01), total sperm count (r = -0.232, p<0.01), and progressive motility (r = -0.164, p = 0.01); mtDNA integrity was also significantly positively correlated with sperm concentration (r = 0.195, p<0.01), total sperm count (r = 0.185, p<0.01), and progressive motility (r = 0.106, p = 0.043). After adjusting for potential confounders, these relationships remained significant. Furthermore, we explored the potential effects of lifestyles on such mitochondrial biomarkers and found that the current drinkers displayed a higher level of sperm MMP; additionally, mt DNAcn was increased with age. The results indicated that certain mitochondrial biomarkers could serve as predictors of semen quality in a general population, and the study provides a baseline for the effects of population characteristics and lifestyles on such mitochondrial markers.

Single-crystal growth, structure refinement and the properties of Bis(glycine) Strontium Chloride

NASA Astrophysics Data System (ADS)

Balaji, S. R.; Balu, T.; Rajasekaran, T. R.

2018-02-01

Single crystals of Bis (glycine) Strontium Chloride (BGSC) were grown by means of slow evaporation process by using analar grade Glycine and Strontium Chloride Hexahydrate as a parent compound from its aqueous solution at room temperature. The final chemical composition, [{{Sr}}{({{{C}}}2{{{H}}}5{{{NO}}}2)}2{{{Cl}}}2].{{{H}}}4{{{O}}}3+{{{H}}}8{{{O}}}3, formed were metallic light colorless block, about the size of 28 mm × 9 mm × 8 mm. A single-crystal x-ray diffraction study revealed an ordered superstructure with orthorhombic symmetry that could be assigned to the space group Pbcn. The structure in BGSC, revealed in the electron density distribution was analyzed by the direct methods (SHELXS-2014) and refined by least squares full matrix method (SHELXL-2014). The crystal structure, including anisotropic atomic displacement parameters for each atom and isotropic atomic displacement parameters for hydrogen atom, was refined to R1 = 0.0395, wR2 = 0.0776 using 1097 independent reflections. The FTIR spectrum of BGSC confirms the protonation of amino groups and the different molecular groups present in BGSC vibrate in different modes. Reverse Indentation Size Effect (RISE) was revealed in BGSC in the micro-hardness analysis using Vicker’s micro-hardness analysis. DTA and DSC results ruled out the possibility of structural change independent of mass change. The AFM studies shows fine nano size fiber like structure of the grown crystals.

LATERAL CONTROL IN A DRIVING SIMULATOR: CORRELATIONS WITH NEUROPSYCHOLOGICAL TESTS AND ON-ROAD SAFETY ERRORS

PubMed Central

Johnson, Amy; Dawson, Jeffrey; Rizzo, Matthew

2012-01-01

Summary Driving simulators provide precise information on vehicular position at high capture rates. To analyze such data, we have previously proposed a time series model that reduces lateral position data into several parameters for measuring lateral control, and have shown that these parameters can detect differences between neurologically impaired and healthy drivers (Dawson et al, 2010a). In this paper, we focus on the “re-centering” parameter of this model, and test whether the parameter estimates are associated with off-road neuropsychological tests and/or with on-road safety errors. We assessed such correlations in 127 neurologically healthy drivers, ages 40 to 89. We found that our re-centering parameter had significant correlations with five neuropsychological tests: Judgment of Line Orientation (r = 0.38), Block Design (r = 0.27), Contrast Sensitivity (r = 0.31), Near Visual Acuity (r = -0.26), and Grooved Pegboard (r = -0.25). We also found that our re-centering parameter was associated with on-road safety errors at stop signs (r = -0.34) and on-road safety errors during turns (r = -0.22). These results suggest that our re-centering parameter may be a useful tool for measuring and monitoring ability to maintain vehicular lateral control. As GPS-based technology continues to improve in precision and reliability to measure vehicular positioning, our time-series model may potentially be applied as an automated index of driver performance in real world settings that is sensitive to cognitive decline. This work was supported by NIH/NIA awards AG17177, AG15071, and NS044930, and by a scholarship from Nissan Motor Company. PMID:24273756

[Regional cerebral oxygen saturation as a marker of hemodynamic state following cardiac surgery].

PubMed

García-Hernández, J A; Aldemira-Liz, A; Martínez-López, A I; Cayuela, A; Charlo-Molina, M T; Cano-Franco, J; Loscertales-Abril, M

2013-10-01

Regional cerebral oxygen saturation (rSO₂) is a measure of the general state of perfusion and oxygenation. We aim to analyze the relationship between this and various hemodynamic and respiratory parameters. Forty-three patients, operated on between October 2011 and July 2012, were included in this prospective observational descriptive study. The following parameters were measured: mean arterial pressure, both arterial and central venous oxygen saturation and partial pressures of oxygen and carbon dioxide, and lactate levels. From these parameters, the oxygenation index and the oxygen extraction ratio were calculated. These measurements were studied to evaluate whether rSO₂ correlated significantly with the other parameters. The average age and weight of the patients were 27.3 months and 9.2 kg, respectively. The rSO₂ correlated positively with both central venous oxygen saturation (r=0.73, P<.01) and mean arterial pressure (r=0.59, P<.01), and negatively with the oxygen extraction ratio (r=-0.7, P<.01). No correlation was found with the respiratory parameters. Concordance analysis established an acceptable Kappa index (> 0.4) between the rSO₂ and central venous oxygen saturation, and between the rSO₂ and oxygen extraction ratio. Regional cerebral oxygen saturation correlates well with hemodynamic parameters - mean arterial pressure, venous saturation, and the tissue oxygen extraction. However, it does not correlate with respiratory parameters. Copyright © 2012 Asociación Española de Pediatría. Published by Elsevier Espana. All rights reserved.

Production, purification and preliminary X-ray crystallographic studies of adeno-associated virus serotype 1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, Edward B.; Gurda-Whitaker, Brittney; Govindasamy, Lakshmanan

2006-12-01

Crystals of baculovirus-expressed adeno-associated virus serotype 1 (AAV1) capsids have been grown in the rhombohedral space group R32 (unit-cell parameters a = 254.7 Å, α = 62.3°) and shown to diffract X-rays to at least 2.5 Å resolution. Crystals of baculovirus-expressed adeno-associated virus serotype 1 (AAV1) capsids have been grown in the rhombohedral space group R32 (unit-cell parameters a = 254.7 Å, α = 62.3°) and shown to diffract X-rays to at least 2.5 Å resolution. The diffraction data were subsequently processed and reduced with an overall R{sub sym} of 12.3% and a completeness of 89.0%. Based on the unit-cellmore » volume, rotation-function and translation-function results and packing considerations, there is one virus capsid (60 viral proteins) per unit cell and there are ten viral proteins per crystallographic asymmetric unit. The AAV1 capsid shares both the twofold and threefold crystallographic symmetry operators. The AAV1 data have been initially phased using a polyalanine model (based on the crystal structure of AAV4) to 4.0 Å resolution and the structure determination and refinement is in progress using tenfold noncrystallographic symmetry electron-density averaging.« less

Impulse oscillometry system as an alternative diagnostic method for chronic obstructive pulmonary disease.

PubMed

Wei, Xia; Shi, Zhihong; Cui, Yajuan; Mi, Jiuyun; Ma, Zhengquan; Ren, Jingting; Li, Jie; Xu, Shudi; Guo, Youmin

2017-11-01

We aimed to compare impulse oscillation system (IOS) and traditional pulmonary function tests (PFTs) for the assessment of the severity of chronic obstructive pulmonary disease (COPD), and to assess the use of IOS parameters to identify patients who were forced expiratory volume in 1 second (FEV1)%pred < 50%.Patients with COPD (n = 215) were enrolled at the Ninth Hospital of Xi'an Affiliated Hospital of Xi'an Jiaotong University between October 2014 and September 2016. All patients were assessed by traditional PFT and IOS. Diagnostic performance of IOS parameters to determine indication for patients of FEV1%pred < 50% was assessed on receiver-operating characteristics (ROC) curve analysis.Out of 215 patients, 18, 83, 78, and 36 patients were classified as grade 1, 2, 3, and 4, respectively, according to the Global Initiative for Chronic Obstructive Lung Disease (GOLD) severity grading. On Spearman correlation analysis, FEV1%pred, MMEF 75%-25%, and residual volume/total lung capacity (RV/TLC) correlated with total respiratory impedance (Z5)%pred, resistance at 5 Hz (R5)-resistance at 20 Hz (R20), R5-R20% R5, R5, R5%pred, frequency response (Fres), reactance area (Ax), and reactance at 5 Hz (X5). On ROC curve analysis, the area under the curve (AUC) of X5 absolute value, Fres, Ax, Z5%pred, R5-R20, and R5-R20% R5 were 0.748, 0.755, 0.760, 0.705, 0.715, and 0.735, respectively, for COPD patients who required inhalational glucocorticoid therapy.IOS parameters showed a good correlation with traditional pulmonary function parameters; reactance parameters showed a stronger correlation than that of the resistance parameters. IOS can be used as an alternative method for pulmonary function assessment in patients with COPD with FEV1%pred < 50% who need inhalational glucocorticoid therapy. ChiCTR-OCH-14004904.

Impulse oscillometry system as an alternative diagnostic method for chronic obstructive pulmonary disease

PubMed Central

Wei, Xia; Shi, Zhihong; Cui, Yajuan; Mi, Jiuyun; Ma, Zhengquan; Ren, Jingting; Li, Jie; Xu, Shudi; Guo, Youmin

2017-01-01

Abstract We aimed to compare impulse oscillation system (IOS) and traditional pulmonary function tests (PFTs) for the assessment of the severity of chronic obstructive pulmonary disease (COPD), and to assess the use of IOS parameters to identify patients who were forced expiratory volume in 1 second (FEV1)%pred < 50%. Patients with COPD (n = 215) were enrolled at the Ninth Hospital of Xi’an Affiliated Hospital of Xi’an Jiaotong University between October 2014 and September 2016. All patients were assessed by traditional PFT and IOS. Diagnostic performance of IOS parameters to determine indication for patients of FEV1%pred < 50% was assessed on receiver-operating characteristics (ROC) curve analysis. Out of 215 patients, 18, 83, 78, and 36 patients were classified as grade 1, 2, 3, and 4, respectively, according to the Global Initiative for Chronic Obstructive Lung Disease (GOLD) severity grading. On Spearman correlation analysis, FEV1%pred, MMEF 75%–25%, and residual volume/total lung capacity (RV/TLC) correlated with total respiratory impedance (Z5)%pred, resistance at 5 Hz (R5)-resistance at 20 Hz (R20), R5-R20% R5, R5, R5%pred, frequency response (Fres), reactance area (Ax), and reactance at 5 Hz (X5). On ROC curve analysis, the area under the curve (AUC) of X5 absolute value, Fres, Ax, Z5%pred, R5-R20, and R5-R20% R5 were 0.748, 0.755, 0.760, 0.705, 0.715, and 0.735, respectively, for COPD patients who required inhalational glucocorticoid therapy. IOS parameters showed a good correlation with traditional pulmonary function parameters; reactance parameters showed a stronger correlation than that of the resistance parameters. IOS can be used as an alternative method for pulmonary function assessment in patients with COPD with FEV1%pred < 50% who need inhalational glucocorticoid therapy. Clinical trial registration number: ChiCTR-OCH-14004904. PMID:29145259

Pulmonary function derangements in isolated or predominant mitral stenosis - Preoperative evaluation with clinico-hemodynamic correlation.

PubMed

Parvathy, Usha T; Rajan, Rajesh; Faybushevich, Alexander Georgevich

2014-06-01

It is well known that mitral stenosis (MS) is complicated by pulmonary hypertension (PH) of varying degrees. The hemodynamic derangement is associated with structural changes in the pulmonary vessels and parenchyma and also functional derangements. This article analyzes the pulmonary function derangements in 25 patients with isolated/predominant mitral stenosis of varying severity. THE AIM OF THE STUDY WAS TO CORRELATE THE PULMONARY FUNCTION TEST (PFT) DERANGEMENTS (DONE BY SIMPLE METHODS) WITH: a) patient demographics and clinical profile, b) severity of the mitral stenosis, and c) severity of pulmonary artery hypertension (PAH) and d) to evaluate its significance in preoperative assessment. This cross-sectional study was conducted in 25 patients with mitral stenosis who were selected for mitral valve (MV) surgery. The patients were evaluated for clinical class, echocardiographic severity of mitral stenosis and pulmonary hypertension, and with simple methods of assessment of pulmonary function with spirometry and blood gas analysis. The diagnosis and classification were made on standardized criteria. The associations and correlations of parameters, and the difference in groups of severity were analyzed statistically with Statistical Package for Social Sciences (SPSS), using nonparametric measures. THE SPIROMETRIC PARAMETERS SHOWED SIGNIFICANT CORRELATION WITH INCREASING NEW YORK HEART ASSOCIATION (NYHA) FUNCTIONAL CLASS (FC): forced vital capacity (FVC, r = -0.4*, p = 0.04), forced expiratory volume in one second (FEV1, r = -0.5*, p = 0.01), FEV1/FVC (r = -0.44*, p = 0.02), and with pulmonary venous congestion (PVC): FVC (r = -0.41*, p = 0.04) and FEV1 (r = -0.41*, p = 0.04). Cardiothoracic ratio (CTR) correlated only with FEV1 (r = -0.461*, p = 0.02) and peripheral saturation of oxygen (SPO2, r = -0.401*, p = 0.04). There was no linear correlation to duration of symptoms, mitral valve orifice area, or pulmonary hypertension, except for MV gradient with PCO2 (r = 0.594**, p = 0.002). The decreased oxygenation status correlated significantly with FC, CTR, PVC, and with deranged spirometry (r = 0.495*, p = 0.02). PFT derangements are seen in all grades of severity of MS and correlate well with the functional class, though no significant linear correlation with grades of severity of stenosis or pulmonary hypertension. Even the early or mild derangements in pulmonary function such as small airway obstruction in the less severe cases of normal or mild PH can be detected by simple and inexpensive methods when the conventional parameters are normal. The supplementary data from baseline arterial blood gas analysis is informative and relevant. This reclassified pulmonary function status might be prognostically predictive.

Scaling Estimates of Vegetation Structure in Amazonian Tropical Forests Using Multi-Angle MODIS Observations

NASA Technical Reports Server (NTRS)

Mendes De Moura, Yhasmin; Hilker, Thomas; Goncalves, Fabio Guimaraes; Galvao, Lenio Soares; Roberto dos Santos, Joao; Lyapustin, Alexei; Maeda, Eduardo Eiji; de Jesus Silva, Camila Valeria

2016-01-01

Detailed knowledge of vegetation structure is required for accurate modelling of terrestrial ecosystems, but direct measurements of the three dimensional distribution of canopy elements, for instance from LiDAR, are not widely available. We investigate the potential for modelling vegetation roughness, a key parameter for climatological models, from directional scattering of visible and near-infrared (NIR) reflectance acquired from NASA's Moderate Resolution Imaging Spectroradiometer (MODIS). We compare our estimates across different tropical forest types to independent measures obtained from: (1) airborne laser scanning (ALS), (2) spaceborne Geoscience Laser Altimeter System (GLAS)/ICESat, and (3) the spaceborne SeaWinds/QSCAT. Our results showed linear correlation between MODIS-derived anisotropy to ALS-derived entropy (r(exp 2)= 0.54, RMSE= 0.11), even in high biomass regions. Significant relationships were also obtained between MODIS-derived anisotropy and GLAS-derived entropy(0.52 less than or equal to r(exp 2) less than or equal to 0.61; p less than 0.05), with similar slopes and offsets found throughout the season, and RMSE between 0.26 and 0.30 (units of entropy). The relationships between the MODIS-derived anisotropy and backscattering measurements (sigma(sup 0)) from SeaWinds/QuikSCAT presented an r(exp 2) of 0.59 and a RMSE of 0.11. We conclude that multi-angular MODIS observations are suitable to extrapolate measures of canopy entropy across different forest types, providing additional estimates of vegetation structure in the Amazon.

Spectral ellipsometry studying of iron's optical and electronic properties

NASA Astrophysics Data System (ADS)

Chernukha, Yevheniia; Stashchuk, Vasyl S.; Polianska, Olena; Oshtuk, Olexsandr

2014-05-01

Fe's optical and electronic properties were investigated at room temperature in different structural states. The sample's surface was explored in wide spectral range λ = 0,23-17,0 μm (E = 4,96 - 0,07 еV ) by the Beatty's spectral ellipsometry method. While an experiment was carried out ellipsometry parameters Δ and ψ were measure near the principal angle of incidence. The refraction index R , permittivity Ɛ and optical conductivity σ( hν ) , that is proportional to the interband density of electronic states, were calculated using these parameters. Fe's optical conductivities in liquid, amorphous and crystalline states were compared in this work. The optical conductivity was calculated using the published data of the iron's density of electronic states in crystalline, amorphous and liquid states for the comparison of the experimental and theoretical results. It is shown that, at structural transformations "amorphous, liquid state- crystalline state", the optical properties of metallic iron are determined, in the first turn, by the nearest neighborhood, and the electronic structure is not subjected to significant modifications.

The Structure and Molecular Parameters of Camphene Determined by Fourier Transform Microwave Spectroscopy and Quantum Chemical Calculations

NASA Astrophysics Data System (ADS)

Neeman, Elias M.; Dréan, Pascal; Huet, T. R.

2016-06-01

The emission of volatile organic compounds, from plants has strong revelance for plant physiology, plant ecology and atmospheric chemistry. Camphene (C10H16) is a bicyclic monoterpene which is emitted in the atmosphere by biogenic sources. The structure of the unique stable conformer was optimized using density functional theory and ab initio calculations. The rotational spectrum of camphene was recorded in a supersonic jet expansion with a Fourier transform microwave spectrometer over the range 2-20 GHz. Signals from the parent species and from the ten 13C isotopomers were observed in natural abundance. The rotational and centrifugal distortion parameters were fitted to a Watson's Hamiltonian in the A-reduction. A magnetic hyperfine structure associated with the pairs of hydrogen nuclei in the methylene groups was observed and modeled.The rotational constants coupled to the equilibrium structure calculations were used to determine the r_0 and the r_m(1) gas-phase geometries of the carbon skeleton. The present work provides the first spectroscopic characterization of camphene in the gas phase and these results are also relevant for ozonolysis kinetics study through Criegee intermediates. R. Baraldi, F. Rapparini, O. Facini, D. Spano and P. Duce, Journal of Mediterranean Ecology, Vol.6, No.1, (2005). A. Bracho-Nunez, N. M. Knothe, S. Welter, M. Staudt, W. R. Costa, M. A. R. Liberato, M. T. F. Piedade, and J. Kesselmeier Biogeosciences, 10, 5855-5873, (2013). Minna Kivimäenpää, Narantsetseg Magsarjav, Rajendra Ghimire, Juha-Matti Markkanen, Juha Heijari, Martti Vuorinen and Jarmo K. Holopainen, Atmospheric Environment, 60, 477-485, (2012). R.C. de M. Oliveira and G. F. Bauerfeldt, J. Phys. Chem. A, 119 2802-2812 (2015)

The local stellar velocity distribution of the Galaxy. Galactic structure and potential

NASA Astrophysics Data System (ADS)

Bienaymé, O.

1999-01-01

The velocity distribution of neighbouring stars is deduced from the Hipparcos proper motions. We have used a classical Schwarzschild decomposition and also developed a dynamical model for quasi-exponential stellar discs. This model is a 3-D derivation of Shu's model in the framework of Stäckel potentials with three integrals of motion. We determine the solar motion relative to the local standard of rest (LSR) (U_sun=9.7+/-0.3kms , V_sun=5.2+/-1.0kms and W_sun=6.7+/-0.2kms ), the density and kinematic radial gradients, as well as the local slope of the velocity curve. We find out that the scale density length of the Galaxy is 1.8+/-0.2kpc . We measure a large kinematic scale length for blue (young) stars, R_{sigma_r }=17+/-4kpc , while for red stars (predominantly old) we find R_{sigma_r }=9.7+/-0.8kpc (or R_{sigma_r (2}=4.8+/-0.4kpc ) ). From the stellar disc dynamical model, we determine explicitly the link between the tangential-vertical velocity (v_theta , v_z) coupling and the local shape of the potential. Using a restricted sample of 3-D velocity data, we measure z_o, the focus of the spheroidal coordinate system defining the best fitted Stäckel potential. The parameter z_o is related to the tilt of the velocity ellipsoid and more fundamentally to the mass gradient in the galactic disc. This parameter is found to be 5.7+/-1.4kpc . This implies that the galactic potential is not extremely flat and that the dark matter component is not confined in the galactic plane. Based on data from the Hipparcos astrometry satellite.

Estimating wheat and maize daily evapotranspiration using artificial neural network

NASA Astrophysics Data System (ADS)

Abrishami, Nazanin; Sepaskhah, Ali Reza; Shahrokhnia, Mohammad Hossein

2018-02-01

In this research, artificial neural network (ANN) is used for estimating wheat and maize daily standard evapotranspiration. Ten ANN models with different structures were designed for each crop. Daily climatic data [maximum temperature (T max), minimum temperature (T min), average temperature (T ave), maximum relative humidity (RHmax), minimum relative humidity (RHmin), average relative humidity (RHave), wind speed (U 2), sunshine hours (n), net radiation (Rn)], leaf area index (LAI), and plant height (h) were used as inputs. For five structures of ten, the evapotranspiration (ETC) values calculated by ETC = ET0 × K C equation (ET0 from Penman-Monteith equation and K C from FAO-56, ANNC) were used as outputs, and for the other five structures, the ETC values measured by weighing lysimeter (ANNM) were used as outputs. In all structures, a feed forward multiple-layer network with one or two hidden layers and sigmoid transfer function and BR or LM training algorithm was used. Favorite network was selected based on various statistical criteria. The results showed the suitable capability and acceptable accuracy of ANNs, particularly those having two hidden layers in their structure in estimating the daily evapotranspiration. Best model for estimation of maize daily evapotranspiration is «M»ANN1 C (8-4-2-1), with T max, T min, RHmax, RHmin, U 2, n, LAI, and h as input data and LM training rule and its statistical parameters (NRMSE, d, and R2) are 0.178, 0.980, and 0.982, respectively. Best model for estimation of wheat daily evapotranspiration is «W»ANN5 C (5-2-3-1), with T max, T min, Rn, LAI, and h as input data and LM training rule, its statistical parameters (NRMSE, d, and R 2) are 0.108, 0.987, and 0.981 respectively. In addition, if the calculated ETC used as the output of the network for both wheat and maize, higher accurate estimation was obtained. Therefore, ANN is suitable method for estimating evapotranspiration of wheat and maize.

Geometry motivated alternative view on local protein backbone structures.

PubMed

Zacharias, Jan; Knapp, Ernst Walter

2013-11-01

We present an alternative to the classical Ramachandran plot (R-plot) to display local protein backbone structure. Instead of the (φ, ψ)-backbone angles relating to the chemical architecture of polypeptides generic helical parameters are used. These are the rotation or twist angle ϑ and the helical rise parameter d. Plots with these parameters provide a different view on the nature of local protein backbone structures. It allows to display the local structures in polar (d, ϑ)-coordinates, which is not possible for an R-plot, where structural regimes connected by periodicity appear disconnected. But there are other advantages, like a clear discrimination of the handedness of a local structure, a larger spread of the different local structure domains--the latter can yield a better separation of different local secondary structure motives--and many more. Compared to the R-plot we are not aware of any major disadvantage to classify local polypeptide structures with the (d, ϑ)-plot, except that it requires some elementary computations. To facilitate usage of the new (d, ϑ)-plot for protein structures we provide a web application (http://agknapp.chemie.fu-berlin.de/secsass), which shows the (d, ϑ)-plot side-by-side with the R-plot. © 2013 The Protein Society.

Conformational stability, structural parameters and vibrational assignment from variable temperature infrared spectra of krypton solutions and ab initio calculations of ethylisothiocyanate.

PubMed

Durig, James R; Zheng, Chao

2007-11-01

Variable temperature (-105 to -150 degrees C) studies of the infrared spectra (3500-400 cm(-1)) of ethylisothiocyanate, CH(3)CH(2)NCS, dissolved in liquid krypton have been recorded. Additionally the infrared spectra of the gas and solid have been re-investigated. These spectroscopic data indicate a single conformer in all physical states with a large number of molecules in the gas phase at ambient temperature in excited states of the CN torsional mode which has a very low barrier to conformational interchange. To aid in the analyses of the vibrational and rotational spectra, ab initio calculations have been carried out by the perturbation method to the second order (MP2) with valence and core electron correlation using a variety of basis sets up to 6-311+G(2df,2pd). With the smaller basis sets up to 6-311+G(d,p) and cc-PVDZ, the cis conformer is indicated as a transition state with all larger basis sets the cis conformer is the only stable form. The predicted energy difference from these calculations between the cis form and the higher energy trans conformer is about 125 cm(-1) which represents essentially the barrier to internal rotation of the NCS group (rotation around NC axis). Density functional theory calculation by the B3LYP method with the same basis sets predicts this barrier to be about 25 cm(-1). By utilizing the previously reported microwave rotational constants with the structural parameters predicted by the ab initio MP2(full)/6-311+G(d,p) calculations, adjusted r(0) structural parameters have been obtained for the cis form. The determined heavy atom parameters are: r(NC)=1.196(5), r(CS)=1.579(5), r(CN)=1.439(5), r(CC)=1.519(5)A for the distances and angles of angleCCN=112.1(5), angleCNC=146.2(5), angleNCS=174.0(5) degrees . The centrifugal distortion constants, dipole moments, conformational stability, vibrational frequencies, infrared intensities and Raman activities have been predicted from ab initio calculations and compared to experimental quantities when available. These results are compared to the corresponding quantities of some similar molecules.

Markers of adiposity in HIV/AIDS patients: Agreement between waist circumference, waist-to-hip ratio, waist-to-height ratio and body mass index

PubMed Central

Ngu, Roland Cheofor; Kadia, Benjamin Momo; Tianyi, Frank-Leonel; Choukem, Simeon Pierre

2018-01-01

Background Waist circumference (WC), waist-to-hip ratio (WHR) and waist-to-height ratio (WHtR) are all independent predictors of cardio-metabolic risk and therefore important in HIV/AIDS patients on antiretroviral therapy at risk of increased visceral adiposity. This study aimed to assess the extent of agreement between these parameters and the body mass index (BMI), as anthropometric parameters and in classifying cardio-metabolic risk in HIV/AIDS patients. Methods A secondary analysis of data from a cross-sectional study involving 200 HIV/AIDS patients was done. Anthropometric parameters were measured from participants using standard guidelines and central obesity defined according to recommended criteria. Increased cardio-metabolic risk was defined according to the standard cut-off values for all four parameters. Data were analyzed using STATA version 14.1. Results The prevalence of WC-defined central obesity, WHR-defined central obesity and WHtR > 0.50 were 33.5%, 44.5% and 36.5%, respectively. The prevalence of BMI-defined overweight and obesity was 40.5%. After adjusting for gender and HAART status, there was a significant linear association and correlation between WC and BMI (regression equation: WC (cm) = 37.184 + 1.756 BMI (Kg/m2) + 0.825 Male + 1.002 HAART, (p < 0.001, r = 0.65)), and between WHtR and BMI (regression equation: WHtR = 0.223 + 0.011 BMI (Kg/m2)– 0.0153 Male + 0.003 HAART, (p < 0.001, r = 0.65)), but not between WHR and BMI (p = 0.097, r = 0.13). There was no agreement between the WC, WHtR and BMI, and minimal agreement between the WHR and BMI, in identifying patients with an increased cardio-metabolic risk. Conclusion Despite the observed linear association and correlation between these anthropometric parameters, the routine use of WC, WHR and WHtR as better predictors of cardio-metabolic risk should be encouraged in these patients, due to their minimal agreement with BMI in identifying HIV/AIDS patients with increased cardio-metabolic risk. HAART status does not appear to significantly affect the association between these anthropometric parameters. PMID:29566089

Prediction of some physical and drying properties of terebinth fruit (Pistacia atlantica L.) using Artificial Neural Networks.

PubMed

Kaveh, Mohammad; Chayjan, Reza Amiri

2014-01-01

Drying of terebinth fruit was conducted to provide microbiological stability, reduce product deterioration due to chemical reactions, facilitate storage and lower transportation costs. Because terebinth fruit is susceptible to heat, the selection of a suitable drying technology is a challenging task. Artificial neural networks (ANNs) are used as a nonlinear mapping structures for modelling and prediction of some physical and drying properties of terebinth fruit. Drying characteristics of terebinth fruit with an initial moisture content of 1.16 (d.b.) was studied in an infrared fluidized bed dryer. Different levels of air temperatures (40, 55 and 70°C), air velocities (0.93, 1.76 and 2.6 m/s) and infrared (IR) radiation powers (500, 1000 and 1500 W) were applied. In the present study, the application of Artificial Neural Network (ANN) for predicting the drying moisture diffusivity, energy consumption, shrinkage, drying rate and moisture ratio (output parameter for ANN modelling) was investigated. Air temperature, air velocity, IR radiation and drying time were considered as input parameters. The results revealed that to predict drying rate and moisture ratio a network with the TANSIG-LOGSIG-TANSIG transfer function and Levenberg-Marquardt (LM) training algorithm made the most accurate predictions for the terebinth fruit drying. The best results for ANN at predications were R2 = 0.9678 for drying rate, R2 = 0.9945 for moisture ratio, R2 = 0.9857 for moisture diffusivity and R2 = 0.9893 for energy consumption. Results indicated that artificial neural network can be used as an alternative approach for modelling and predicting of terebinth fruit drying parameters with high correlation. Also ANN can be used in optimization of the process.

Body Fat Composition: A Predictive Factor for Sleep Related Breathing Disorder in Obese Children.

PubMed

Bhatia, Rajeev; Lesser, Daniel J; Oliveira, Flavia G S A; Tran, Winston H; Keens, Thomas G; Khoo, Michael C K; Davidson Ward, Sally L

2015-09-15

The association between body fat composition as measured by dual energy x-ray absorptiometry (DEXA) scanning and pediatric sleep related breathing disorder (SRBD) is not well established. We investigated the relationship between body mass index (BMI) and DEXA parameters and their association with SRBD in obese children. Overnight polysomnography was performed on obese/overweight children (10-17 years) with habitual snoring. Total body fat mass (g), trunk fat mass (g), total body % fat, and trunk % fat were determined by DEXA. Forty-one subjects were studied. Logarithm (Log) total arousal index correlated with BMI (p < 0.01, r = 0.473), total body fat mass (p < 0.05, r = 0.331), and trunk fat mass (p < 0.05, r = 0.319). Log desaturation index correlated with BMI (p < 0.05, r = 0.313), total body fat mass (p < 0.05, r = 0.375), and trunk fat mass (p < 0.05, r = 0.391), whereas obstructive apnea hypopnea index (OAHI) did not. In males 10-12 years, there was a significant correlation between Log total arousal index and obesity parameters, but not for males aged 13-17 years. BMI correlated with DEXA parameters in all subjects: total body fat mass (p < 0.001, r = 0.850); total body % fat (p < 0.01, r = 0.425); trunk fat mass (p < 0.001, r = 0.792) and trunk % fat (p < 0.05, r = 0.318) and in 10-12 year old males. This relationship was not significant in males aged 13-17 years. Total body fat mass and trunk fat mass as well as BMI correlated with total arousal index and desaturation index. BMI correlated with DEXA parameters in 10-12 year old males but not in 13-17 year old males. The value of using DEXA scanning to study the relationship between obesity and SRBD may depend on age and pubertal stage. © 2015 American Academy of Sleep Medicine.

Searching for “LiCrIIPO4”

NASA Astrophysics Data System (ADS)

Mosymow, E.; Glaum, R.; Kremer, R. K.

2014-10-01

The two new phosphates LiCrII4(PO4)3 and Li5CrII2CrIII(PO4)4 are discovered as equilibrium phases (ϑ=800 °C) in the quarternary system Li/Cr/P/O. Their crystal structures have been determined from single-crystal X-ray diffraction data {LiCrII4(PO4)3: violet-blue, Pnma (no. 62), Z=4, a=6.175(1) Å, b=14.316(3) Å, c=10.277(2) Å, 100 parameters, R1=0.028, wR2=0.08, 2060 unique reflections with Fo>4σ(Fo); Li5CrII2CrIII(PO4)4: greyish-green, P1bar (no. 2), Z=1, a=4.9379(7) Å, b=7.917(2) Å, c=8.426(2) Å, α=109.98(2)°, β=90.71(1)°, γ=104.91(1)°, 131 parameters, R1=0.022, wR2=0.067, 1594 unique reflections with Fo>4σ(Fo)}. Li5CrII2CrIII(PO4)4 adopts an hitherto unknown structure type. The crystal structure of LiCrII4(PO4)3 is isotypic to that of NaCdII4(PO4)3 and related to that of the mineral silicocarnotite Ca5(PO4)2(SiO4). Significant disorder between Li+ and Cr2+ is observed for both crystal structures. The oxidation states assigned to chromium in these two phosphates are in agreement with UV/vis/NIR absorption spectra and magnetic susceptibility data recorded for both compounds. Instead of “LiCrIIPO4” mixtures of LiCrII4(PO4)3, Li5CrII2CrIII(PO4)4, Cr2O3, and CrP are observed at equilibrium. Instead of “Li2CrIIP2O7” four-phase mixtures consisting of Li9CrIII3(P2O7)3(PO4)2, Li3CrIII2(PO4)3, LiCrP2O7, and CrP were obtained.

Wave interactions with multiple semi-immersed Jarlan-type perforated breakwaters

NASA Astrophysics Data System (ADS)

Elbisy, Moussa S.

2017-06-01

This study examines wave interactions with multiple semi-immersed Jarlan-type perforated breakwaters. A numerical model based on linear wave theory and an eigenfunction expansion method has been developed to study the hydrodynamic characteristics of breakwaters. The numerical results show a good agreement with previous analytical results and experimental data for limiting cases of double partially immersed impermeable walls and double and triple Jarlan-type breakwaters. The wave transmission coefficient C T; reflection coefficient C R, and energy dissipation coefficient C E coefficients and the horizontal wave force exerted on the front and rear walls are examined. The results show that C R reaches the maximum value when B/L = 0.46 n while it is smallest when B/L=0.46 n+0.24 ( n=0, 1, 2,...). An economical triple semi-immersed Jarlan-type perforated breakwater can be designed with B/L = 0.25 and C R and C T ranging from 0.25 to 0.32 by choosing a relative draft d/h of 0.35 and a permeability parameter of the perforated front walls being 0.5 for an incident wave number kh nearly equal to 2.0. The triple semi-immersed Jarlan-type perforated breakwaters with significantly reduced C R, will enhance the structure's wave absorption ability, and lead to smaller wave forces compared with the double one. The proposed model may be used to predict the response of a structure in the preliminary design stage for practical engineering.

Variation of the interphase heterochromatin in Artemia (Crustacea, Anostraca) of the Americas is related to changes in nuclear size and ionic composition of hipersaline habitats.

PubMed

Parraguez, M; Gajardo, G

2017-01-01

The populations of Artemia (or brine shrimp) from the Americas exhibit a wide variation in the amount of interphase heterochromatin. There is interest in understanding how this variation affects different parameters, from the cellular to the organismal levels. This should help to clarify the ability of this organism to tolerate brine habitats regularly subject to strong abiotic changes. In this study, we assessed the amount of interphase heterochromatin per nucleus based on chromocenter number (N-CHR) and relative area of chromocenter (R-CHR) in two species of Artemia, A. franciscana (Kellog, 1906) (n=9 populations) and A. persimilis (Piccinelli and Prosdocimi, 1968) (n=3 populations), to investigate the effect on nuclear size (S-NUC). The relationship of the R-CHR parameter with the ionic composition (IC) of brine habitats was also analysed. Our results indicate a significant variation in the amount of heterochromatin both within and between species (ANOVA, p<0.001). The heterochromatin varied from 0.81 ± 1.17 to 12.58 ± 3.78 and from 0.19 ± 0.34% to 11.78 ± 3.71% across all populations, for N-CHR and R-CHR parameters, respectively. N-CHR showed less variation than R-CHR (variation index 15.5-fold vs. 62-fold). At least five populations showed a significant association (p<0.05) between R-CHR and S-NUC, either with negative (four populations, r= from -0.643 to -0.443), or positive (one population, r= 0.367) values.Within each species, there were no significant associations between both parameters (p>0.05). The R-CHR and IC parameters were associated significantly for the magnesium ion (r= 0.496, p<0.05) and also for the chloride, sodium and calcium ions (r = from -0.705 to -0.478, p<0.05). At species level, a significant association between both parameters was also found in A. franciscana populations, for the sulphate and calcium ions, in contrast to A. persimilis. These findings suggest that the amount of interphase heterochromatin modifies the nuclear size in Artemia. Our data also indicate that change in the amount of interphase heterochromatin is in line with the ionic composition of brines. This would be a species-specific phenomenon, whose occurrence may be involved in the ability of this organism to survive in these environments.

Application of gas sensor arrays in assessment of wastewater purification effects.

PubMed

Guz, Łukasz; Łagód, Grzegorz; Jaromin-Gleń, Katarzyna; Suchorab, Zbigniew; Sobczuk, Henryk; Bieganowski, Andrzej

2014-12-23

A gas sensor array consisting of eight metal oxide semiconductor (MOS) type gas sensors was evaluated for its ability for assessment of the selected wastewater parameters. Municipal wastewater was collected in a wastewater treatment plant (WWTP) in a primary sedimentation tank and was treated in a laboratory-scale sequential batch reactor (SBR). A comparison of the gas sensor array (electronic nose) response to the standard physical-chemical parameters of treated wastewater was performed. To analyze the measurement results, artificial neural networks were used. E-nose-gas sensors array and artificial neural networks proved to be a suitable method for the monitoring of treated wastewater quality. Neural networks used for data validation showed high correlation between the electronic nose readouts and: (I) chemical oxygen demand (COD) (r = 0.988); (II) total suspended solids (TSS) (r = 0.938); (III) turbidity (r = 0.940); (IV) pH (r = 0.554); (V) nitrogen compounds: N-NO3 (r = 0.958), N-NO2 (r = 0.869) and N-NH3 (r = 0.978); (VI) and volatile organic compounds (VOC) (r = 0.987). Good correlation of the abovementioned parameters are observed under stable treatment conditions in a laboratory batch reactor.

Thermal expansion of phosphates with the NaZr{sub 2}(PO{sub 4}){sub 3} structure containing lanthanides and zirconium: R{sub 0.33}Zr{sub 2}(PO{sub 4}){sub 3} (R = Nd, Eu, Er) and Er{sub 0.33(1–x)} Zr{sub 0.25x}Zr{sub 2}(PO{sub 4}){sup 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Volgutov, V. Yu., E-mail: Valeriy.Volgutov@inbox.ru; Orlova, A. I.

Phosphates R{sub 0.33}Zr{sub 2}(PO{sub 4}){sub 3} (R = Nd, Eu, or Er) and Er{sub 0.33(1–x)}Zr{sub 0.25}Zr{sub 2}(PO{sub 4}){sub 3} (x = 0, 0.25, 0.5, 0.75, 1.0) of the NaZr{sub 2}(PO{sub 4}){sub 3} family have been synthesized and investigated by high-temperature X-ray diffraction. The crystallochemical approach is used to obtain compounds with expected small and controllable thermal-expansion parameters. Phosphates with close-to-zero thermal-expansion parameters, including those with low thermal-expansion anisotropy, have been obtained: Nd{sub 0.33}Zr{sub 2}(PO{sub 4}){sub 3} with α{sub a} =–2.21 × 10{sup −6} °C{sup −1}, α{sub c} = 0.81 × 10{sup −6} °C{sup −1}, and Δα = 3.02 × 10{supmore » −6} °C{sup –1} and Er{sub 0.08}Zr{sub 0.19}Zr{sub 2}(PO{sub 4}){sub 3} with α{sub a} =–1.86 × 10{sup −6} °C{sup −1}, α{sub c} = 1.73 × 10{sup −6} °C{sup −1}, and Δα = 3.58 × 10{sup −6} °C{sup −1}.« less

The thermodynamic parameters of the step dissociation of L-phenylalanyl in aqueous solution

NASA Astrophysics Data System (ADS)

Kochergina, L. A.; Emel'Yanov, A. V.; Krutova, O. N.; Gorboletova, G. G.

2007-10-01

The heats of interaction of L-phenylalanine with solutions of nitric acid and potassium and lithium hydroxides were determined calorimetrically at 288.15, 298.15, and 308.15 K and solution ionic strengths of 0.5, 0.75, and 1.0 in the presence of LiNO3 and KNO3. The standard thermodynamic characteristics (Δr H°, Δr G°, Δr S°, and Δ C {/p °} of acid-base interactions in aqueous solutions of L-phenylalanine were calculated. The influence of the concentration of background electrolytes and temperature on the heats of dissociation of L-phenylalanine was considered. A comparative analysis of the standard thermodynamic characteristics of step dissociation of L-phenylalanine and alanine was performed in terms of the modern concepts of the structure and physicochemical properties of these compounds and their solutions.

Elevational trends in hydraulic efficiency and safety of Pinus cembra roots.

PubMed

Losso, Adriano; Nardini, Andrea; Nolf, Markus; Mayr, Stefan

2016-04-01

In alpine regions, elevational gradients in environmental parameters are reflected by structural and functional changes in plant traits. Elevational changes in plant water relations have also been demonstrated, but comparable information on root hydraulics is generally lacking. We analyzed the hydraulic efficiency (specific hydraulic conductivity k s, entire root system conductance K R) and vulnerability to drought-induced embolism (water potential at 50 % loss of conductivity Ψ 50) of the roots of Pinus cembra trees growing along an elevational transect of 600 m. Hydraulic parameters of the roots were compared with those of the stem and related to anatomical traits {mean conduit diameter (d), wall reinforcement [(t/b)(2)]}. We hypothesized that temperature-related restrictions in root function would cause a progressive limitation of hydraulic efficiency and safety with increasing elevation. We found that both root k s and K R decreased from low (1600 m a.s.l.: k s 5.6 ± 0.7 kg m(-1) s(-1) MPa(-1), K R 0.049 ± 0.005 kg m(-2) s (-1) MPa(-1)) to high elevation (2100 m a.s.l.: k s 4.2 ± 0.6 kg m(-1) s(-1) MPa(-1), K R 0.035 ± 0.006 kg m(-2) s(-1) MPa(-1)), with small trees showing higher K R than large trees. k s was higher in roots than in stems (0.5 ± 0.05 kg m(-1)s(-1)MPa(-1)). Ψ 50 values were similar across elevations and overall less negative in roots (Ψ 50 -3.6 ± 0.1 MPa) than in stems (Ψ 50 -3.9 ± 0.1 MPa). In roots, large-diameter tracheids were lacking at high elevation and (t/b)(2) increased, while d did not change. The elevational decrease in root hydraulic efficiency reflects a limitation in timberline tree hydraulics. In contrast, hydraulic safety was similar across elevations, indicating that avoidance of hydraulic failure is important for timberline trees. As hydraulic patterns can only partly be explained by the anatomical parameters studied, limitations and/or adaptations at the pit level are likely.

Patella Height Correlates With Trochlear Dysplasia: A Computed Tomography Image Analysis.

PubMed

Ferlic, Peter Wilhelm; Runer, Armin; Dammerer, Dietmar; Wansch, Jürgen; Hackl, Wolfgang; Liebensteiner, Michael Christian

2018-06-01

The aim of this study was to investigate the position of the patella relative to the trochlea for a possible correlation with radiologic parameters characterizing the form of the trochlea. The computed tomography scans of 36 cases with patellofemoral instability and 30 without (mean age, 24.7 ± 6.8 years) were studied. The height of the patella relative to the trochlea was evaluated as the distance between the axial slice where the patella (P) showed its widest diameter, as the patella at this level has the greatest potential to form the trochlea, and the proximal entrance of the femoral trochlea (TE). The correlations between this parameter and several radiologic parameters used to evaluate trochlear dysplasia, including trochlea height, transverse trochlea shift, trochlea depth, sulcus angle, lateral and medial trochlea slope, trochlea facet asymmetry, and the Dejour trochlea type, were calculated. The P-TE distance correlated significantly with all trochlea parameters evaluated, with a more dysplastic trochlea in cases of higher position of the patella: medial, central, and lateral trochlea height (0.287

The combination of kinetic and flow cytometric semen parameters as a tool to predict fertility in cryopreserved bull semen.

PubMed

Gliozzi, T M; Turri, F; Manes, S; Cassinelli, C; Pizzi, F

2017-11-01

Within recent years, there has been growing interest in the prediction of bull fertility through in vitro assessment of semen quality. A model for fertility prediction based on early evaluation of semen quality parameters, to exclude sires with potentially low fertility from breeding programs, would therefore be useful. The aim of the present study was to identify the most suitable parameters that would provide reliable prediction of fertility. Frozen semen from 18 Italian Holstein-Friesian proven bulls was analyzed using computer-assisted semen analysis (CASA) (motility and kinetic parameters) and flow cytometry (FCM) (viability, acrosomal integrity, mitochondrial function, lipid peroxidation, plasma membrane stability and DNA integrity). Bulls were divided into two groups (low and high fertility) based on the estimated relative conception rate (ERCR). Significant differences were found between fertility groups for total motility, active cells, straightness, linearity, viability and percentage of DNA fragmented sperm. Correlations were observed between ERCR and some kinetic parameters, and membrane instability and some DNA integrity indicators. In order to define a model with high relation between semen quality parameters and ERCR, backward stepwise multiple regression analysis was applied. Thus, we obtained a prediction model that explained almost half (R 2=0.47, P<0.05) of the variation in the conception rate and included nine variables: five kinetic parameters measured by CASA (total motility, active cells, beat cross frequency, curvilinear velocity and amplitude of lateral head displacement) and four parameters related to DNA integrity evaluated by FCM (degree of chromatin structure abnormality Alpha-T, extent of chromatin structure abnormality (Alpha-T standard deviation), percentage of DNA fragmented sperm and percentage of sperm with high green fluorescence representative of immature cells). A significant relationship (R 2=0.84, P<0.05) was observed between real and predicted fertility. Once the accuracy of fertility prediction has been confirmed, the model developed in the present study could be used by artificial insemination centers for bull selection or for elimination of poor fertility ejaculates.

Synthesis and characterization of two layered aluminophosphates, ( T) 2HAl 2P 3O 12 ( T=2-BuNH 3+) and ( T)H 2Al 2P 3O 12 ( T=pyH +)

NASA Astrophysics Data System (ADS)

Chippindale, Ann M.; Powell, Anthony V.; Bull, Lucy M.; Jones, Richard H.; Cheetham, Anthony K.; Thomas, John M.; Xu, Ruren

1992-01-01

Two new aluminophosphates, ( T) 2HAl 2P 3O 12 ( T=2-BuNH 3+) ( I) and ( T)H 2Al 2P 3O 12 ( T=pyH +) ( II) with the same framework stoichiometry but different layer structures have been prepared under nonaqueous conditions and the structures determined by single-crystal X-ray diffraction. Compound ( I) crystallizes in the monoclinic space group P2 1/ c ( Z=4), with lattice parameters a=9.261(1) b=8.365(6), c=27.119(4) Å, β=91.50(1)δ, and V=2100.1 Å 3 ( R=0.072 and R w=0.090). The structure consists of Al-and P-centered tetrahedra linked to form layers. Protonated 2-butylamine molecules are located in the interlayer spaces and hydrogen bonded to the layers through NH 3+ groups. Weak hydrophobic van der Waals' interactions between alkyl groups of the 2-BuNH 3+ cations hold the layers together. Compound ( II) crystallizes in the triclinic space group P-1 ( Z=2), with a=8.574(2), b=8.631(3), c=10.371(2) Å, α=81.84(3), β=87.53(2), γ=69.07(2)δ, and V=709.49Å 3 ( R=0.039 and R w=0.052). The structure contains tetrahedrally coordinated P atoms and both tetrahedral and trigonal pyramidal Al atoms linked to form layers which are held together through hydrogen bonding, creating cavities in which pyH + cations reside.

Electrical properties of human skin as aging biomarkers.

PubMed

Simić-Krstić, Jovana B; Kalauzi, Aleksandar J; Ribar, Srdjan N; Matija, Lidija R; Misevic, Gradimir N

2014-09-01

A non-invasive bioimpedance spectroscopy (BIS) and Cole-Cole impedance model parameters (R0, R∞, τ and α) were used to analyze electrical properties of intact and stripped human skin for both gender subjects divided into younger and older age groups. R0, R∞ and τ significantly increased while α significantly decreased with age in stripped skin for both genders (p<0.031). Using pooled data with respect to age, gender and skin stripping, R0, R∞ and τ values were shown to increase with age (p<0.0034), R0, τ and α were different between genders (p<0.024) and R0, R∞ and τ decreased with skin stripping (p<0.000008). All of four Cole-Cole parameters were age dependent with specific differences observed for genders and intact and stripped skin layers. Therefore, Cole-Cole parameters, obtained by non-invasive BIS measurements, are a new type of age dependent biomarkers. Copyright © 2014 Elsevier Inc. All rights reserved.

Monitoring water stress and fruit quality in an orange orchard under regulated deficit irrigation using narrow-band structural and physiological remote sensing indices

NASA Astrophysics Data System (ADS)

Stagakis, S.; González-Dugo, V.; Cid, P.; Guillén-Climent, M. L.; Zarco-Tejada, P. J.

2012-07-01

This paper deals with the monitoring of water status and the assessment of the effect of stress on citrus fruit quality using structural and physiological remote sensing indices. Four flights were conducted over a citrus orchard in 2009 using an unmanned aerial vehicle (UAV) carrying a multispectral camera with six narrow spectral bands in the visible and near infrared. Physiological indices such as the Photochemical Reflectance Index (PRI570), a new structurally robust PRI formulation that uses the 515 nm as the reference band (PRI515), and a chlorophyll ratio (R700/R670) were compared against the Normalized Difference Vegetation Index (NDVI), Renormalized Difference Vegetation Index (RDVI) and Modified Triangular Vegetation Index (MTVI) canopy structural indices for their performance in tracking water status and the effects of sustained water stress on fruit quality at harvest. The irrigation setup in the commercial orchard was compared against a treatment scheduled to satisfy full requirements (based on estimated crop evapotranspiration) using two regulated deficit irrigation (RDI) strategies. The water status of the trees throughout the experiment was monitored with frequent field measurements of stem water potential (Ψx), while titratable acidity (TA) and total soluble solids (TSS) were measured at harvest on selected trees from each irrigation treatment. The high spatial resolution of the multispectral imagery (30 cm pixel size) enabled identification of pure tree crown components, extracting the tree reflectance from shaded, sunlit and aggregated pixels. The physiological and structural indices were then calculated from each tree at the following levels: (i) pure sunlit tree crown, (ii) entire crown, aggregating the within-crown shadows, and (iii) simulating a lower resolution pixel, including tree crown, sunlit and shaded soil pixels. The resulting analysis demonstrated that both PRI formulations were able to track water status, except when water stress altered canopy structure. In such cases, PRI570 was more affected than PRI515 by the structural changes caused by sustained water stress throughout the season. Both PRI formulations were proven to serve as pre-visual water stress indicators linked to fruit quality TSS and TA parameters (r2 = 0.69 for PRI515 vs TSS; r2 = 0.58 vs TA). In contrast, the chlorophyll (R700/R670) and structural indices (NDVI, RDVI, MTVI) showed poor relationships with fruit quality and water status levels (r2 = 0.04 for NDVI vs TSS; r2 = 0.19 vs TA). The two PRI formulations showed strong relationships with the field-measured fruit quality parameters in September, the beginning of stage III, which appeared to be the period most sensitive to water stress and the most critical for assessing fruit quality in citrus. Both PRI515 and PRI570 showed similar performance for the two scales assessed (sunlit crown and entire crown), demonstrating that within-crown component separation is not needed in citrus tree crowns where the shaded vegetation component is small. However, the simulation conducted through spatial resampling on tree + soil aggregated pixels revealed that the physiological indices were highly affected by soil reflectance and between-tree shadows, showing that for TSS vs PRI515 the relationship dropped from r2 = 0.69 to r2 = 0.38 when aggregating soil + crown components. This work confirms a previous study that demonstrated the link between PRI570, water stress, and fruit quality, while also making progress in assessing the new PRI formulation (PRI515), the within-crown shadow effects on the physiological indices, and the need for high resolution imagery to target individual tree crowns for the purpose of evaluating the effects of water stress on fruit quality in citrus.

Oxidation of edible animal fats. Comparison of the performance of different quantification methods and of a proposed new semi-objective colour scale-based method.

PubMed

Méndez-Cid, Francisco J; Lorenzo, José M; Martínez, Sidonia; Carballo, Javier

2017-02-15

The agreement among the results determined for the main parameters used in the evaluation of the fat auto-oxidation was investigated in animal fats (butter fat, subcutaneous pig back-fat and subcutaneous ham fat). Also, graduated colour scales representing the colour change during storage/ripening were developed for the three types of fat, and the values read in these scales were correlated with the values observed for the different parameters indicating fat oxidation. In general good correlation among the values of the different parameters was observed (e.g. TBA value correlated with the peroxide value: r=0.466 for butter and r=0.898 for back-fat). A reasonable correlation was observed between the values read in the developed colour scales and the values for the other parameters determined (e.g. values of r=0.320 and r=0.793 with peroxide value for butter and back-fat, respectively, and of r=0.767 and r=0.498 with TBA value for back-fat and ham fat, respectively). Copyright © 2016 Elsevier Ltd. All rights reserved.

Activation of muscle nicotinic acetylcholine receptor channels by nicotinic and muscarinic agonists

PubMed Central

Akk, Gustav; Auerbach, Anthony

1999-01-01

The dose-response parameters of recombinant mouse adult neuromuscular acetylcholine receptor channels (nAChR) activated by carbamylcholine, nicotine, muscarine and oxotremorine were measured. Rate constants for agonist association and dissociation, and channel opening and closing, were estimated from single-channel kinetic analysis.The dissociation equilibrium constants were (mM): ACh (0.16)carbamylcholine (5.1)>oxotremorine M (0.6)>nicotine (0.5)>muscarine (0.15).Rat neuronal α4β2 nAChR can be activated by all of the agonists. However, detailed kinetic analysis was impossible because the recordings lacked clusters representing the activity of a single receptor complex. Thus, the number of channels in the patch was unknown and the activation rate constants could not be determined.Considering both receptor affinity and agonist efficacy, muscarine and oxotremorine are significant agonists of muscle-type nAChR. The results are discussed in terms of structure-function relationships at the nAChR transmitter binding site. PMID:10602325

Microwave spectrum and structural parameters for the formamide-formic acid dimer.

PubMed

Daly, Adam M; Sargus, Bryan A; Kukolich, Stephen G

2010-11-07

The rotational spectra for six isotopologues of the complex formed between formamide and formic acid have been measured using a pulsed-beam Fourier transform microwave spectrometer and analyzed to obtain rotational constants and quadrupole coupling parameters. The rotational constants and quadrupole coupling strengths obtained for H  (12)COOH-H(2)  (14)NCOH are A = 5889.465(2), B = 2148.7409(7), 1575.1234(6), eQq(aa) = 1.014(5), eQq(bb) = 1.99(1), and eQq(cc) = -3.00(1) MHz. Using the 15 rotational constants obtained for the H  (13)COOH, HCOOD, DCOOH, and H(2)  (15)NCHO isotopologues, key structural parameters were obtained from a least-squares structure fit. Hydrogen bond distances of 1.78 Å for R(O3⋯H1) and 1.79 Å for R(H4⋯O1) were obtained. The "best fit" value for the angle(C-O-H) of formic acid is significantly larger than the monomer value of 106.9° with an optimum value of 121.7(3)°. The complex is nearly planar with inertial defect Δ = -0.158 amu  Å(2). The formamide proton is moved out of the molecular plane by 15(3)° for the best fit structure. Density functional theory using B3PW91, HCTH407, and TPSS as well as MP2 and CCSD calculations were performed using 6-311++G(d,p) and the results were compared to experimentally determined parameters.

Rapid Spectral Variability of the Symbiotic Star CH Cyg During One Night

NASA Astrophysics Data System (ADS)

Mikayilov, Kh. M.; Rustamov, B. N.; Alakbarov, I. A.; Rustamova, A. B.

2017-06-01

During one night (15.07.2015), within 6 hours 14 echelle spectrograms of this star were obtained. It was revealed that the profile of Ha and Hβ lines have two-component emission structure with a central absorption, parameters which vary from spectrum to spectrum during the night. The intensity of blue emission component (V) have been changed strongly during the night: the value of ratio of intensities of violet and red components (V/R) of line Hα decreased from 0:93 to 0:49 in the beginning and then increased to a value of 0.97. The synchronous variations of values of V/R for the Hα and Hβ lines have been revealed. The parameters of blue emission components of Hα and of line Hel λ5876 Å are correlated. We propose that revealed by us the rapid spectral changes in the spectrum of the star CH Cyg could be connected with a flickering in the optical brightness of the star that is typical for the active phase of this system.

Crystal structure of modular sodium-rich and low-iron eudialyte from Lovozero alkaline massif

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rozenberg, K. A.; Rastsvetaeva, R. K., E-mail: rast@ns.crys.ras.ru; Aksenov, S. M.

2016-09-15

The structure of the sodium-rich representative of the eudialyte group found by A.P. Khomyakov at the Lovozero massif (Kola Peninsula) is studied by X-ray diffraction. The trigonal cell parameters are: a = 14.2032(1) and c = 60.612(1) Å, V = 10589.13 Å3, space group R3m. The structure is refined to the final R = 5.0% in the anisotropic approximation of atomic displacement parameters using 3742|F| > 3σ(F). The idealized formula (Z = 3) is Na{sub 37}Ca{sub 10}Mn{sub 2}FeZr{sub 6}Si{sub 50}(Ti, Nb){sub 2}O{sub 144}(OH){sub 5}Cl{sub 3} · H{sub 2}O. Like other 24-layer minerals of the eudialyte group, this mineral has amore » modular structure. Its structure contains two modules, namely, “alluaivite” (with an admixture of “eudialyte”) and “kentbrooksite,” called according to the main structural fragments of alluaivite, eudialyte, and kentbrooksite. The mineral found at the Lovozero alkaline massif shows some chemical and symmetry-structural distinctions from the close-in-composition labyrinthite modular mineral from the Khibiny massif. The difference between the minerals stems from different geochemical conditions of mineral formation in the two regions.« less

Variation of biometric parameters in corn cobs under the influence of nitrogen fertilization

NASA Astrophysics Data System (ADS)

Gigel, Prisecaru; Florin, Sala

2017-07-01

Biometric parameters as elements of productivity on corn cobs, along with plant density per unit area (ha) are essential in achieving production. The influence of differentiated fertilization with nitrogen was evaluated at the level of productivity elements on corn cobs, Andreea hybrid. Biometric parameters of the corn cobs (total length - L; usable length - l; uncoated length with corn kernels - lu; diameter at the base - Db, middle - Dm, and top of the corn cobs - Dt; corn cob weight - Cw, grain weight - Gw) were directly influenced by the doses of nitrogen. Regression analysis has facilitated the prediction of grain weight as the main element of productivity under different statistical certainty based on nitrogen doses (R2 = 0.962, p<0.01), on the total length of corn cobs (R2 = 0.985, p<0.01), on the usable length of corn cobs (R2 = 0.996, p<<0.001), on the diameter at the base of corn cobs (R2 = 0.824, p<0.01), on the diameter at the middle of corn cobs (R2 = 0.807, p<0.01), on uncoated length with corn kernels (R2 = 0.624, p<0.01) and on the diameter at the top of the corn cobs (R2 = 0.384, p=0.015).

About the singular behavior of the ionic condensation of sodium chondroitin sulfate: Conductivity study in water and water dioxane mixture

NASA Astrophysics Data System (ADS)

M'halla, Jalel; Besbes, Rafik; Bouazzi, Ramzi; Boughammoura, Sondes

2006-01-01

In this work, we generalized the (Bjerrum-Debye-Fuoss-MSA) double layer model to an ellipsoidal polyion (chondroitin sulfate) of (∣ Zs∣ e) structural charge, Ls structural length, R minor axe and ( R2 + L2/4) 1/2 major axe. With L ⩽ Ls. Na + counter ions are distributed on the contact (or condensed) layer and on the Debye layer (ionic atmosphere). Both layers are ellipsoidal equipotentials of, respectively, R and d minor axes and are concentric to the polyion. With d = ( R + 1/2 Γ), Γ is the Debye-MSA screen parameter. The equilibrium distribution of Na + ions is derived from a "two states" statistical approach, leading to a general implicit expression for the rate of condensation (1 - α). The generality of this formula results from the fact that it takes into account the finite size of the polyion ( L ≠ ∞ and R ≠ 0) and allows to calculate α for different conformations of the polyion: (ellipsoidal L ≠ 0, cylindrical: L = Ls, spherical: L → 0, and Manning's model: RL-1 → 0). The main conclusion of this model is that, α obeys to the Ostwald's principle of dilution ( α → 1 when CNa+ → 0). This result is contrary to Manning's theory, for which α is a constant αM independent on the concentration Ci: αM = bS/(∣ Zi∣ Lb), with bS = Ls/∣ Zs∣ and Lb = e2/( ɛkT) is the Bjerrum length. However, our analysis shows that the rate of variation: (∂ α/∂ Ci) in a given range of concentration, depends on the structural parameter bS. Indeed, the critical Manning condition ( α-1αM = 1, ⇒(∂ α/∂ Ci) ≈ 0), is compatible with the general following "rod-like model" approximation: (1-α)≈|Zi|(πbS)[4πZi2Lb][αCiR2];withbS″=αM-1 only for some peculiar values of bS and Lb (i.e., dielectric constant: ɛ). In water at 25 °C ( ɛ = 78.3), this singular behavior occurs for a range of a relative low or moderate concentration for some polyelectrolytes of bS structural parameter of about 5.8 Å. This is the case of sodium chondroitin sulfate in water ( bS = 5.72 Å). The addition of dioxane increases Lb, consequently, α is shifted from its Manning's value. In order to verify this dioxane effect, we have compared experimental equivalent conductibilities Λexp of sodium chondroitin sulfate in water ( no shift) and water-dioxane (60 wt%) mixture ( positive shift), to their theoretical values ΛM, ΛcthandΛsth corresponding, respectively, to the Manning, cylindrical and spherical models. This comparison allows also, to explain the conformation "chosen" by the polyion, in order to minimizing the friction effects (due to: viscosity; ionic and dielectric relaxations) and therefore, to optimize its mobility by the shift of its rate of ionic condensation α.

Compressible turbulent channel flow with impedance boundary conditions

NASA Astrophysics Data System (ADS)

Scalo, Carlo; Bodart, Julien; Lele, Sanjiva K.

2015-03-01

We have performed large-eddy simulations of isothermal-wall compressible turbulent channel flow with linear acoustic impedance boundary conditions (IBCs) for the wall-normal velocity component and no-slip conditions for the tangential velocity components. Three bulk Mach numbers, Mb = 0.05, 0.2, 0.5, with a fixed bulk Reynolds number, Reb = 6900, have been investigated. For each Mb, nine different combinations of IBC settings were tested, in addition to a reference case with impermeable walls, resulting in a total of 30 simulations. The adopted numerical coupling strategy allows for a spatially and temporally consistent imposition of physically realizable IBCs in a fully explicit compressible Navier-Stokes solver. The IBCs are formulated in the time domain according to Fung and Ju ["Time-domain impedance boundary conditions for computational acoustics and aeroacoustics," Int. J. Comput. Fluid Dyn. 18(6), 503-511 (2004)]. The impedance adopted is a three-parameter damped Helmholtz oscillator with resonant angular frequency, ωr, tuned to the characteristic time scale of the large energy-containing eddies. The tuning condition, which reads ωr = 2πMb (normalized with the speed of sound and channel half-width), reduces the IBCs' free parameters to two: the damping ratio, ζ, and the resistance, R, which have been varied independently with values, ζ = 0.5, 0.7, 0.9, and R = 0.01, 0.10, 1.00, for each Mb. The application of the tuned IBCs results in a drag increase up to 300% for Mb = 0.5 and R = 0.01. It is shown that for tuned IBCs, the resistance, R, acts as the inverse of the wall-permeability and that varying the damping ratio, ζ, has a secondary effect on the flow response. Typical buffer-layer turbulent structures are completely suppressed by the application of tuned IBCs. A new resonance buffer layer is established characterized by large spanwise-coherent Kelvin-Helmholtz rollers, with a well-defined streamwise wavelength λx, traveling downstream with advection velocity cx = λx Mb. They are the effect of intense hydro-acoustic instabilities resulting from the interaction of high-amplitude wall-normal wave propagation (at the tuned frequency fr = ωr/2π = Mb) with the background mean velocity gradient. The resonance buffer layer is confined near the wall by structurally unaltered outer-layer turbulence. Results suggest that the application of hydrodynamically tuned resonant porous surfaces can be effectively employed in achieving flow control.

Molecular structure and vibrational spectroscopy of isoproturon

NASA Astrophysics Data System (ADS)

Vrielynck, L.; Dupuy, N.; Kister, J.; Nowogrocki, G.

2006-05-01

The crystal structure of isoproturon [ N-(4-isopropylphenyl)- N', N'-dimethylurea] has been determined: the compound crystallizes in the space group Pbca with unit cell parameters a=10.186(2) Å, b=11.030(2) Å, c=20.981(4) Å. The structure was solved and refined down to R1=0.0508 and ωR2=0.12470 for 3056 reflections. The crystalline molecular network of this pesticide is stabilized, as for many molecules of the same family, by π-π interactions but especially by a medium-strong N-H⋯C dbnd6 O intermolecular hydrogen bond (2.14 Å). The X-ray parameters were then compared with the results of DFT quantum chemical calculation computed with the GAUSSIAN 94 package. A tentative assignment of the ATR-FT-IR and Raman spectra was proposed supported by vibrational mode calculation and spectroscopic data on benzenic and urea derivatives available in the literature. The presence of a tight band around 3300 cm -1, which can be assigned to the NH bond stretching mode as well as the low frequency position of the amide I band at 1640 cm -1, sensitive to solvent polarity, confirms the existence of a quite strong intermolecular hydrogen bond between neighboring molecules in the crystal of isoproturon.

Correlation between structure, retention, property, and activity of biologically relevant 1,7-bis(aminoalkyl)diazachrysene derivatives.

PubMed

Šegan, Sandra; Trifković, Jelena; Verbić, Tatjana; Opsenica, Dejan; Zlatović, Mario; Burnett, James; Šolaja, Bogdan; Milojković-Opsenica, Dušanka

2013-01-01

The physicochemical properties, retention parameters (R(M)(0)), partition coefficients (logP(OW)), and pK(a) values for a series of thirteen 1,7-bis(aminoalkyl) diazachrysene (1,7-DAAC) derivatives were determined in order to reveal the characteristics responsible for their biological behavior. The investigated compounds inhibit three unrelated pathogens (the Botulinum neurotoxin serotype A light chain (BoNT/A LC), Plasmodium falciparum malaria, and Ebola filovirus) via three different mechanisms of action. To determine the most influential factors governing the retention and activities of the investigated diazachrysenes, R(M)(0), logP(OW), and biological activity values were correlated with 2D and 3D molecular descriptors, using a partial least squares regression. The resulting quantitative structure-retention (property) relationships indicate the importance of descriptors related to the hydrophobicity of the molecules (e.g., predicted partition coefficients and hydrophobic surface area). Quantitative structure-activity relationship models for describing biological activity against the BoNT/A LC and malarial strains also include overall compound polarity, electron density distribution, and proton donor/acceptor potential. Furthermore, models for Ebola filovirus inhibition are presented qualitatively to provide insights into parameters that may contribute to the compounds' antiviral activities. Overall, the models form the basis for selecting structural features that significantly affect the compound's absorption, distribution, metabolism, excretion, and toxicity profiles. Copyright © 2012 Elsevier B.V. All rights reserved.

Exploring selectivity requirements for COX-2 versus COX-1 binding of 2-(5-phenyl-pyrazol-1-yl)-5-methanesulfonylpyridines using topological and physico-chemical parameters.

PubMed

Chakraborty, Santanu; Sengupta, Chandana; Roy, Kunal

2005-04-01

Considering the current need for development of selective cyclooxygenase-2 (COX-2) inhibitors, an attempt has been made to explore physico-chemical requirements of 2-(5-phenyl-pyrazol-1-yl)-5-methanesulfonylpyridines for binding with COX-1 and COX-2 enzyme subtypes and also to explore the selectivity requirements. In this study, E-states of different common atoms of the molecules (calculated according to Kier & Hall), first order valence connectivity and physicochemical parameters (hydrophobicity pi, Hammett sigma and molar refractivity MR of different ring substituents) were used as independent variables along with suitable dummy parameters in the stepwise regression method. The best equation describing COX-1 binding affinity [n = 25, Q2 = 0.606, R(a)2 = 0.702, R2 = 0.752, R = 0.867, s = 0.447, F = 15.2 (df 4, 20)] suggests that the COX-1 binding affinity increases in the presence of a halogen substituent at R1 position and a p-alkoxy or p-methylthio substituent at R2 position. Furthermore, a difluoromethyl group is preferred over a trifluoromethyl group at R position for the COX-1 binding. The best equation describing COX-2 binding affinity [n = 32, Q2 = 0.622, R(a)2= 0.692, R2 = 0.732, R = 0.856, s = 0.265, F = 18.4 (df 4, 27)] shows that the COX-2 binding affinity increases with the presence of a halogen substituent at R1 position and increase of size of R2 substituents. However, it decreases in case of simultaneous presence of 3-chloro and 4-methoxy groups on the phenyl nucleus and in the presence of highly lipophilic R2 substituents. The best selectivity relation [n = 25, Q2 = 0.455, R(a)2 = 0.605, R2 = 0.670, R = 0.819, s = 0.423, F = 10.2 (df 4, 20)] suggests that the COX-2 selectivity decreases in the presence of p-alkoxy group and electron-withdrawing para substituents at R2 position. Again, a trifluoro group is conductive for the selectivity instead of a difluoromethyl group at R position. Furthermore, branching may also play significant role in determining the selectivity as evidenced from the connectivity parameter.

Use of SkinFibrometer® to measure skin elasticity and its correlation with Cutometer® and DUB® Skinscanner.

PubMed

Kim, M A; Kim, E J; Lee, H K

2018-02-06

Skin elasticity is an important indicator of skin aging. The aim of this study was to demonstrate that the SkinFibrometer ® is appropriate for measuring skin biomechanical properties, and to correlate it with elasticity parameters measured using the Cutometer ® and with dermis structural properties measured using DUB ® Skinscanner. Twenty-one individuals participated in this study. The skin of the cheek, around the eye, and the volar forearm were evaluated. To analyze correlations of elasticity parameters, the induration value against the indenter pressure of SkinFibrometer ® and R, Q parameters of Cutometer ® were compared. Dermal echogenicity using DUB ® Skinscanner was compared with the induration value of SkinFibrometer ® . The younger age group showed more firm and elastic skin properties compared to the older age group, and the elasticity values of the volar forearm were significantly higher than those of the cheek and around the eye region. Even though the measuring principle is different, both SkinFibrometer ® and Cutometer ® demonstrated the same trends of skin elasticity differences according to age and anatomical regions. There were significant correlations between the induration value of SkinFibrometer ® , representing skin firmness, and R0, Q0 and R2, R5, R7, Q1, Q2 of Cutometer ® , which represent skin firmness and resilience, respectively (P < .01). In addition, dermal echogenicity positively correlated with skin firmness determined by SkinFibrometer ® (P < .01). We identified correlations between skin elasticity parameters evaluated by two different methods of suction and indentation, and demonstrated that the SkinFibrometer ® is an objective, non-invasive evaluation tool for skin stiffness and elasticity. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Intra-lesional spatial correlation of static and dynamic FET-PET parameters with MRI-based cerebral blood volume in patients with untreated glioma.

PubMed

Göttler, Jens; Lukas, Mathias; Kluge, Anne; Kaczmarz, Stephan; Gempt, Jens; Ringel, Florian; Mustafa, Mona; Meyer, Bernhard; Zimmer, Claus; Schwaiger, Markus; Förster, Stefan; Preibisch, Christine; Pyka, Thomas

2017-03-01

18 F-fluorethyltyrosine-(FET)-PET and MRI-based relative cerebral blood volume (rCBV) have both been used to characterize gliomas. Recently, inter-individual correlations between peak static FET-uptake and rCBV have been reported. Herein, we assess the local intra-lesional relation between FET-PET parameters and rCBV. Thirty untreated glioma patients (27 high-grade) underwent simultaneous PET/MRI on a 3 T hybrid scanner obtaining structural and dynamic susceptibility contrast sequences. Static FET-uptake and dynamic FET-slope were correlated with rCBV within tumour hotspots across patients and intra-lesionally using a mixed-effects model to account for inter-individual variation. Furthermore, maximal congruency of tumour volumes defined by FET-uptake and rCBV was determined. While the inter-individual relationship between peak static FET-uptake and rCBV could be confirmed, our intra-lesional, voxel-wise analysis revealed significant positive correlations (median r = 0.374, p < 0.0001). Similarly, significant inter- and intra-individual correlations were observed between FET-slope and rCBV. However, rCBV explained only 12% of the static and 5% of the dynamic FET-PET variance and maximal overlap of respective tumour volumes was 37% on average. Our results show that the relation between peak values of MR-based rCBV and static FET-uptake can also be observed intra-individually on a voxel basis and also applies to a dynamic FET parameter, possibly determining hotspots of higher biological malignancy. However, just a small part of the FET-PET signal variance is explained by rCBV and tumour volumes determined by the two modalities showed only moderate overlap. These findings indicate that FET-PET and MR-based rCBV provide both congruent and complimentary information on glioma biology.

Effect of ovariectomy on BMD, micro-architecture and biomechanics of cortical and cancellous bones in a sheep model.

PubMed

Wu, Zi-xiang; Lei, Wei; Hu, Yun-yu; Wang, Hai-qiang; Wan, Shi-yong; Ma, Zhen-sheng; Sang, Hong-xun; Fu, Suo-chao; Han, Yi-sheng

2008-11-01

Osteoporotic/osteopenia fractures occur most frequently in trabeculae-rich skeletal sites. The purpose of this study was to use a high-resolution micro-computed tomography (micro-CT) and dual energy X-ray absorptionmeter (DEXA) to investigate the changes in micro-architecture and bone mineral density (BMD) in a sheep model resulted from ovariectomy (OVX). Biomechanical tests were performed to evaluate the strength of the trabecular bone. Twenty adult sheeps were randomly divided into three groups: sham group (n=8), group 1 (n=4) and group 2 (n=8). In groups 1 and 2, all sheep were ovariectomized (OVX); in the sham group, the ovaries were located and the oviducts were ligated. In all animals, BMD for lumbar spine was obtained during the surgical procedure. BMD at the spine, femoral neck and femoral condyle was determined 6 months (group 1) and 12 months (group 2) post-OVX. Lumbar spines and femora were obtained and underwent BMD scan, micro-CT analysis. Compressive mechanical properties were determined from biopsies of vertebral bodies and femoral condyles. BMD, micro-architectural parameters and mechanical properties of cancellous bone did not decrease significantly at 6 months post-OVX. Twelve months after OVX, BMD, micro-architectural parameters and mechanical properties decreased significantly. The results of linear regression analyses showed that trabecular thickness (Tb.Th) (r=0.945, R2=0.886) and bone volume fraction (BV/TV) (r=0.783, R2=0.586) had strong (R2>0.5) correlation to compression stress. In OVX sheep, changes in the structural parameters of trabecular bone are comparable to the human situation during osteoporosis was induced. The sheep model presented seems to meet the criteria for an osteopenia model for fracture treatment with respect to morphometric and mechanical properties. But the duration of OVX must be longer than 12 months to ensure the animal model can be established successfully.

Crystal structure of centrosymmetric 12-layer sodium-rich eudialyte

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rozenberg, K. A.; Rastsvetaeva, R. K., E-mail: rast@ns.crys.ras.ru; Verin, I. A.

2009-05-15

The structure of a new representative of the eudialyte group with the formula (Na,Sr,K){sub 18}Ca{sub 6}Zr{sub 3}Fe[Si{sub 25}O{sub 72}](OH){sub 2}Cl . H{sub 2}O from the Lovozero massif (Kola Peninsula) was studied by X-ray diffraction. The trigonal unit-cell parameters are a = 14.226 A, c = 30.339 A, sp. gr. R3-barm; the R factor is 0.045 based on 990 reflections. This sample is of interest as a sodium-rich and iron-poor mineral having a rare centrosymmetric structure, in which the M(2) site is occupied predominantly by sodium atoms. The dependence of the formation of centrosymmetric and non-centrosymmetric structures on the composition ofmore » eudialyte-group minerals was analyzed.« less

Three-dimensional positron emission tomography image texture analysis of esophageal squamous cell carcinoma: relationship between tumor 18F-fluorodeoxyglucose uptake heterogeneity, maximum standardized uptake value, and tumor stage.

PubMed

Dong, Xinzhe; Xing, Ligang; Wu, Peipei; Fu, Zheng; Wan, Honglin; Li, Dengwang; Yin, Yong; Sun, Xiaorong; Yu, Jinming

2013-01-01

To explore the relationship of a new PET image parameter, (18)F-fluorodeoxyglucose ((18)F-FDG) uptake heterogeneity assessed by texture analysis, with maximum standardized uptake value (SUV(max)) and tumor TNM staging. Forty consecutive patients with esophageal squamous cell carcinoma were enrolled. All patients underwent whole-body preoperative (18)F-FDG PET/CT. Heterogeneity of intratumoral (18)F-FDG uptake was assessed on the basis of the textural features (entropy and energy) of the three-dimensional images using MATLAB software. The correlations between the textural parameters and SUV(max), histological grade, tumor location, and TNM stage were analyzed. Tumors with higher SUV(max) were seen to be more heterogenous on (18)F-FDG uptake. Significant correlations were observed between T stage and SUV(max) (r(s)=0.390, P=0.013), entropy (rs=0.693, P<0.001), and energy (r(s)=-0.469, P=0.002). Correlations were also found between SUV(max), entropy, energy, and N stage (r(s)=0.326, P=0.04; r(s)=0.501, P=0.001; r(s)=-0.413, P=0.008). The American Joint Committee on Cancer stage correlated significantly with all metabolic parameters. The receiver-operating characteristic curve demonstrated an entropy of 4.699 as the optimal cutoff point for detecting tumors above stage II(b) with an areas under the ROC curve of 0.789 (P<0.001). This study provides initial evidence for the relationship between the new parameter of tumor uptake heterogeneity and the commonly used simplistic parameter of SUV and tumor stage. Our findings suggest a complementary role of these parameters in the staging and prognosis of esophageal squamous cell carcinoma.

Normative values for optical coherence tomography parameters in healthy children and interexaminer agreement for choroidal thickness measurements.

PubMed

Turan, Kadriye Erkan; Sekeroglu, Hande Taylan; Baytaroglu, Ata; Bezci, Figen; Karahan, Sevilay

2018-01-01

To (a) determine the normative values for optical coherence tomography (OCT) parameters such as central macular thickness, retinal nerve fiber layer thickness, and choroidal thickness in healthy children; (b) investigate the relationships of these parameters with axial length, central corneal thickness, refractive errors, and intraocular pressure; and (c) determine interexaminer agreement for choroidal thickness measurements. In this cross-sectional study, 120 healthy children aged 8-15 years underwent detailed ophthalmological examination and OCT measurements. Choroidal thickness was measured at three separate locations by two independent examiners. The mean global retinal nerve fiber layer thickness was 98.75 ± 9.45 μm (79.0-121.0). The mean central macular thickness was 232.29 ± 29.37 μm (190.0-376.0). The mean subfoveal choroidal thickness obtained by examiner 1 was 344.38 ± 68.83 μm and that obtained by examiner 2 was 344.04 ± 68.92 μm. Interexaminer agreement was between 99.6%-99.8% for choroidal thickness at three separate locations. Central macular thickness increased with axial length (r=0.245, p=0.007). Choroidal thickness increased with age (r=0.291, p=0.001) and decreased with axial length (r=-0.191, p=0.037). Global retinal nerve fiber layer thickness decreased with axial length (r=-0.247, p=0.007) and increased with central corneal thickness (r=0.208, p=0.022). Global retinal nerve fiber layer thickness positively correlated with choroidal thickness (r=0.354, p<0.001). Global retinal nerve fiber layer thickness (r=0.223, p=0.014) and choroidal thickness (r=0.272, p=0.003) increased with the spherical equivalent (D). Optical coherence tomography parameters showed a wide range of variability in children. Retinal nerve fiber layer thickness, central macular thickness, and choroidal thickness were found to be either inter-related or correlated with age, central corneal thickness, axial length, and refractive errors. Furthermore, manual measurements of choroidal thickness showed high interexaminer agreement. Because normative values for optical coherence tomography parameters differed in children, the measurements should be interpreted according to an age-appropriate database.

Mathematical and statistical analysis of the effect of boron on yield parameters of wheat

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rawashdeh, Hamzeh; Sala, Florin; Boldea, Marius

The main objective of this research is to investigate the effect of foliar applications of boron at different growth stages on yield and yield parameters of wheat. The contribution of boron in achieving yield parameters is described by second degree polynomial equations, with high statistical confidence (p<0.01; F theoretical < F calculated, according to ANOVA test, for Alfa = 0.05). Regression analysis, based on R{sup 2} values obtained, made it possible to evaluate the particular contribution of boron to the realization of yield parameters. This was lower for spike length (R{sup 2} = 0.812), thousand seeds weight (R{sup 2} =more » 0.850) and higher in the case of the number of spikelets (R{sup 2} = 0.936) and the number of seeds on a spike (R{sup 2} = 0.960). These results confirm that boron plays an important part in achieving the number of seeds on a spike in the case of wheat, as the contribution of this element to the process of flower fertilization is well-known. In regards to productivity elements, the contribution of macroelements to yield quantity is clear, the contribution of B alone being R{sup 2} = 0.868.« less

Tei index correlates with tissue Doppler parameters and reflects neurohormonal activation in patients with an abnormal transmitral flow pattern.

PubMed

Greco, Stefania; Troisi, Federica; Brunetti, Natale Daniele; Di Biase, Matteo

2009-10-01

Tei index (TI) is a Doppler parameter which reflects combined systolic and diastolic function. We aimed to study the relationship between TI, both traditional and tissue Doppler imaging (TDI) echocardiographic parameters and neurohormonal profile in outpatients with diastolic dysfunction expressed by an abnormal transmitral flow pattern. A total of 67 consecutive outpatients with diastolic dysfunction (abnormal transmitral flow pattern) were studied; all patients underwent clinical evaluation, blood sampling for B-type natriuretic peptide (BNP) plasma assaying, echocardiography for the determination of left ventricular ejection fraction (LVEF), dP/dt, left atrium (LA) dimensions, longitudinal systolic (S) and diastolic wall velocities (E'and A'), TI measured with Doppler echocardiography, and mitral regurgitation (MR) quantified on a semicontinuous scale. TI values were significantly correlated with BNP levels (r = 0.33; P < 0.01), LVEF (r =-0.56; P < 0.001), dP/dt (r =-0.52; P < 0.01), S (r =-0.45; P < 0.001), E'(r =-0.36; P < 0.01), A'(r =-0.27; P < 0.05), LA volume (r = 0.35; P < 0.01), and MR (P for trend < 0.05). In a multivariate regression analysis, TI was an independent predictor of increased BNP levels (beta= 0.32; P < 0.05), even after correction for potential confounders. ROC analysis showed as values of TI >0.59 identified subjects with combined systolic and diastolic dysfunction with a sensitivity of 73.8% and a specificity of 71.4%. In outpatients with diastolic dysfunction, TI, an easy to perform parameter for global ventricular performance assessment, might be useful in identifying subjects with concomitant systolic impairment and neurohormonal activation.

The crystal structure of the new ternary antimonide Dy 3Cu 20+xSb 11-x ( x≈2)

NASA Astrophysics Data System (ADS)

Fedyna, L. O.; Bodak, O. I.; Fedorchuk, A. O.; Tokaychuk, Ya. O.

2005-06-01

New ternary antimonide Dy 3Cu 20+xSb 11-x ( x≈2) was synthesized and its crystal structure was determined by direct methods from X-ray powder diffraction data (diffractometer DRON-3M, Cu Kα-radiation, R=6.99%,R=12.27%,R=11.55%). The compound crystallizes with the own cubic structure type: space group F 4¯ 3m, Pearson code cF272, a=16.6150(2) Å,Z=8. The structure of the Dy 3Cu 20Sb 11-x ( x≈2) can be obtained from the structure type BaHg 11 by doubling of the lattice parameter and subtraction of 16 atoms. The studied structure was compared with the structures of known compounds, which crystallize in the same space group with similar cell parameters.

Comparison of mean deviation with AGIS and CIGTS scores in association with structural parameters in glaucomatous eyes.

PubMed

Naka, Maiko; Kanamori, Akiyasu; Tatsumi, Yasuko; Fujioka, Miyuki; Nagai-Kusuhara, Azusa; Nakamura, Makoto; Negi, Akira

2009-01-01

To evaluate which of the 3 clinically used visual field indices including mean deviation (MD), Advanced Glaucoma Intervention Study (AGIS) score, and Collaborative Initial Glaucoma Treatment Study (CIGTS) score are best in evaluating functional damage of glaucomatous optic neuropathy. In 213 glaucomatous eyes, peripapillary retinal nerve fiber layer thickness (RNFLT) and optic disc configuration were measured with Stratus optical coherence tomography and Heidelberg Retina Tomograph-2, respectively. Visual field was measured with standard automated perimetry 30-2. Correlations of the structural parameters compared with the 3 VF indices using second polynomial regression were calculated. In addition, these correlations were analyzed among eyes of 3 different stages of glaucoma, as defined by MD score (early, MD> or =-6 dB; moderate, -12 dB< or =MD<-6 dB; advanced, MD<-12 dB). Among structure-function relationships in all subjects, the highest correlation determination (R) was MD with RNFLT (=0.298). CIGTS score showed better R than MD or AGIS score with rim area, but these values were not higher than any R with RNFLT. In analyses of 3 groups depending on MD, statistically significant structure-function correlations were observed only in patients with an advanced stage. No clear difference was found among MD and AGIS/CIGTS scores in expressing functional damage of glaucomatous eyes. MD is suggested to be no worse than others in monitoring glaucoma in clinical setting.

Correlations of psycho-physiological parameters influencing the physical fitness of aged women.

PubMed

Bretz, É; Kóbor-Nyakas, D É; Bretz, K J; Hrehuss, N; Radák, Z; Nyakas, Csaba

2014-12-01

Regular assessment of psycho-physiological parameters in aged subjects helps to clarify physical and mental conditions which are important in the prevention of health-endangering events to assure a healthy aging. Thirty older care female residents consented voluntarily to participate in the study. The somatic and psycho-physiological parameters recorded were handgrip force, disjunctive reaction time, balance control and whole body movement coordination, the electrocardiogram and heart rate variability. Significant correlations were found between (a) reaction time and balance control efficiency (r = -0.567, p < 0.009), (b) reaction time and movement coordination accuracy (r = -0.453, p < 0.045), (c) cardiac state and movement coordination accuracy (r = 0.545, p < 0.016), (d) cardiac stress and cardiac state (r = -0.495, p < 0.031), and (e) cardiac stress and force (r = -0.822, p < 0.045). In conclusion, for the aim of establishing basic battery tests for assessing psycho-physiological condition of physical fitness our results emphasize the importance of systematic physical activity, endurance and strength training supporting muscle force, balance control and whole-body movement coordination, in addition to improving the cardiac stress index level. The strong interrelation among these parameters allows the drawing of a more complete view regarding the health condition of aged individuals.

Could incommensurability in sulfosalts be more common than thought? The case of meneghinite, CuPb13Sb7S24.

PubMed

Bindi, Luca; Petříček, Václav; Biagioni, Cristian; Plášil, Jakub; Moëlo, Yves

2017-06-01

The structure of meneghinite (CuPb 13 Sb 7 S 24 ), from the Bottino mine in the Apuan Alps (Italy), has been solved and refined as an incommensurate structure in four-dimensional superspace. The structure is orthorhombic, superspace group Pnma(0β0)00s, cell parameters a = 24.0549 (3), b = 4.1291 (6), c = 11.3361 (16) Å, modulation vector q = 0.5433 (4)b*. The structure was refined from 6604 reflections to a final R = 0.0479. The model includes modulation of both atomic positions and displacement parameters, as well as occupational waves. The driving forces stabilizing the modulated structure of meneghinite are linked to the occupation modulation of Cu and some of the Pb atoms. As a consequence of the Cu/[] and Pb/Sb modulations, three- to sevenfold coordinations of the M cations (Pb/Sb) occur in different parts of the structure. The almost bimodal distribution of the occupation of Cu/[] and Pb/Sb at M5 conforms with the coupled substitution Sb 3+ + [] → Pb 2+ + Cu + , thus corroborating the hypothesis deduced previously for the incorporation of copper in the meneghinite structure. The very small departure (∼0.54 versus 0.50) from the commensurate value of the modulation raises the question of whether other sulfosalts considered superstructures have been properly described, and, in this light, if incommensurate modulation in sulfosalts could be much more common than thought.

High-pressure/high-temperature synthesis and characterization of the first palladium or platinum containing lithium transition-metal sulfides Li2M3S4 (M=Pd, Pt)

NASA Astrophysics Data System (ADS)

Heymann, Gunter; Niehaus, Oliver; Krüger, Hannes; Selter, Philipp; Brunklaus, Gunther; Pöttgen, Rainer

2016-10-01

The new lithium transition-metal sulfides Li2M3S4 (M=Pd, Pt) were obtained via multianvil high-pressure/high-temperature syntheses at 8 GPa and 1150 °C starting from a stoichiometric mixture of lithium nitride, sulfur, and palladium or platinum. Single crystal structure analyses indicated the space group P21/c (no. 14) with the following lattice parameters and refinement results: a=492.9(1), b=1005.9(2), c=614.9(2) pm, β=110.9 (1)°, R1=0.0165, wR2=0.0308 (all data) for Li2Pd3S4 and a=498.2(1), b=1005.5(2), c=613.0(2) pm, β=110.8(1)°, R1=0.0215, wR2=0.0450 (all data) for Li2Pt3S4. The crystal structures are built up from two distinct Pd/Pt sites, one of which is a special position (0,0,0), two sulfur sites, and one lithium site. The atoms Pd2/Pt2 form isolated square planar PdS4/PtS4 units, whereas the Pd1/Pt1 atoms form pairs of square planar PdS4/PtS4 units, which are connected via a common edge. These two structural motives built up a three-dimensional network structure by linking through common corners. The lithium atoms are positioned inside of the so formed channels. Li2M3S4 (M=Pd, Pt) are isostructural to the minerals jaguéite, Cu2Pd3Se4 and chrisstanleyite, Ag2Pd3Se4, which are up to now the only representatives of this structure type. Both compounds were studied with respect to their magnetic properties and can be classified as Pauli paramagnetic or diamagnetic. Regarding the possibility of lithium mobility inside the channels, of the structure, solid state 7Li NMR and high-temperature single crystal investigations revealed localization of the lithium atoms on their crystallographic sites.

Imaging Predictors of Improvement From a Motor Learning-Based Intervention for Children With Unilateral Cerebral Palsy.

PubMed

Schertz, Mitchell; Shiran, Shelly I; Myers, Vicki; Weinstein, Maya; Fattal-Valevski, Aviva; Artzi, Moran; Ben Bashat, Dafna; Gordon, Andrew M; Green, Dido

2016-08-01

Background Motor-learning interventions may improve hand function in children with unilateral cerebral palsy (UCP) but with inconsistent outcomes across participants. Objective To examine if pre-intervention brain imaging predicts benefit from bimanual intervention. Method Twenty children with UCP with Manual Ability Classification System levels I to III, aged 7-16 years, participated in an intensive bimanual intervention. Assessments included the Assisting Hand Assessment (AHA), Jebsen Taylor Test of Hand Function (JTTHF) and Children's Hand Experience Questionnaire (CHEQ) at baseline (T1), completion (T2) and 8-10 weeks post-intervention (T3). Imaging at baseline included conventional structural (radiological score), functional (fMRI) and diffusion tensor imaging (DTI). Results Improvements were seen across assessments; AHA (P = 0.04), JTTHF (P < .001) and CHEQ (P < 0.001). Radiological score significantly correlated with improvement at T2; AHA (r = .475) and CHEQ (r = .632), but negatively with improvement on unimanual measures at T3 (JTTFH r = -.514). fMRI showed negative correlations between contralesional brain activation when moving the affected hand and AHA improvements (T2: r = -.562, T3: r = -0.479). Fractional Anisotropy in the affected posterior limb of the internal capsule correlated negatively with increased bimanual use on CHEQ at T2 (r = -547) and AHA at T3 (r = -.656). Conclusions Children with greater structural, functional and connective brain damage showed enhanced responses to bimanual intervention. Baseline imaging may identify parameters predicting response to intervention in children with UCP. © The Author(s) 2015.

A global satellite environmental data record derived from AMSR-E and AMSR2 microwave Earth observations

NASA Astrophysics Data System (ADS)

Du, Jinyang; Kimball, John S.; Jones, Lucas A.; Kim, Youngwook; Glassy, Joseph; Watts, Jennifer D.

2017-11-01

Spaceborne microwave remote sensing is widely used to monitor global environmental changes for understanding hydrological, ecological, and climate processes. A new global land parameter data record (LPDR) was generated using similar calibrated, multifrequency brightness temperature (Tb) retrievals from the Advanced Microwave Scanning Radiometer for EOS (AMSR-E) and the Advanced Microwave Scanning Radiometer 2 (AMSR2). The resulting LPDR provides a long-term (June 2002-December 2015) global record of key environmental observations at a 25 km grid cell resolution, including surface fractional open water (FW) cover, atmosphere precipitable water vapor (PWV), daily maximum and minimum surface air temperatures (Tmx and Tmn), vegetation optical depth (VOD), and surface volumetric soil moisture (VSM). Global mapping of the land parameter climatology means and seasonal variability over the full-year records from AMSR-E (2003-2010) and AMSR2 (2013-2015) observation periods is consistent with characteristic global climate and vegetation patterns. Quantitative comparisons with independent observations indicated favorable LPDR performance for FW (R ≥ 0.75; RMSE ≤ 0.06), PWV (R ≥ 0.91; RMSE ≤ 4.94 mm), Tmx and Tmn (R ≥ 0.90; RMSE ≤ 3.48 °C), and VSM (0.63 ≤ R ≤ 0.84; bias-corrected RMSE ≤ 0.06 cm3 cm-3). The LPDR-derived global VOD record is also proportional to satellite-observed NDVI (GIMMS3g) seasonality (R ≥ 0.88) due to the synergy between canopy biomass structure and photosynthetic greenness. Statistical analysis shows overall LPDR consistency but with small biases between AMSR-E and AMSR2 retrievals that should be considered when evaluating long-term environmental trends. The resulting LPDR and potential updates from continuing AMSR2 operations provide for effective global monitoring of environmental parameters related to vegetation activity, terrestrial water storage, and mobility and are suitable for climate and ecosystem studies. The LPDR dataset is publicly available at http://files.ntsg.umt.edu/data/LPDR_v2/.<

[A correlation between diffusion kurtosis imaging and the proliferative activity of brain glioma].

PubMed

Tonoyan, A S; Pronin, I N; Pitshelauri, D I; Shishkina, L V; Fadeeva, L M; Pogosbekyan, E L; Zakharova, N E; Shults, E I; Khachanova, N V; Kornienko, V N; Potapov, A A

2015-01-01

The aim of the study was to assess the capabilities of diffusion kurtosis imaging (DKI) in diagnosis of the glioma proliferative activity and to evaluate a relationship between the glioma proliferative activity index and diffusion parameters of the contralateral normal appearing white matter (CNAWM). The study included 47 patients with newly diagnosed brain gliomas (23 low grade, 13 grade III, and 11 grade IV gliomas). We determined a relationship between absolute and normalized parameters of the diffusion tensor (mean (MD), axial (AD), and radial (RD) diffusivities; fractional (FA) and relative (RA) anisotropies) and diffusion kurtosis (mean (MK), axial (AK), and radial (RK) kurtosis; kurtosis anisotropy (KA)) and the proliferative activity index in the most malignant glioma parts (p<0.05). We also established a relationship between the tensor and kurtosis parameters of CNAWM and the glioma proliferative activity index (p<0.05). The correlation between all the absolute and normalized diffusion parameters and the glioma proliferative activity index, except absolute and normalized FA and RA values, was found to be statistically significant (p<0.05). Kurtosis (MK, AK, and RK) and anisotropy (KA, FA, RA) values increased, and diffusivity (MD, AD, RD) values decreased as the glioma proliferative activity index increased. A strong correlation between the proliferative activity index and absolute RK (r=0,71; p=0.000001) and normalized values of MK (r=0.8; p=0.000001), AK (r=0.71; p=0.000001), RK (r=0.81; p=0.000001), and RD (r=-0.71; p=0.000001) was found. A weak, but statistically significant correlation between the glioma proliferative activity index and diffusion values RK (r=-0.36; p=0.014), KA (r=-0.39; p=0.007), RD (r=0.35; p=0.017), FA (r=-0.42; p=0.003), and RA (r=-0.41; p=0.004) of CNAWM was found. DKI has good capabilities to detect immunohistochemical changes in gliomas. DKI demonstrated a high sensitivity in detection of microstructural changes in the contralateral normal appearing white matter in patients with brain gliomas.

Local uniqueness solution of illuminated solar cell intrinsic electrical parameters.

PubMed

Jarray, Abdennaceur; Abdelkrim, Mahdi; Bouchiba, Mohamed; Boukricha, Abderrahman

2014-01-01

Starting from an electrical dissipative illuminated one-diode solar cell with a given model data at room temperature (I sc , V oc , R s0 , R sh0 , I max ); we present under physical considerations a specific mathematical method (using the Lambert function) for unique determination of the intrinsic electrical parameters (n, I s , I ph , R s , R sh ). This work proves that for a given arbitrary fixed shunt resistance R sh , the saturation current I S and the ideality factor n are uniquely determined as a function of the photocurrent I ph , and the series resistance R s . The correspondence under the cited physical considerations: R s does not exceed ]0, 20[Ω and n is between ]0, 3[ and I ph and I s are arbitrary positive [Formula: see text] , is biunivocal. This study concludes that for both considered solar cells, the five intrinsic electrical parameters that were determined numerically are unique.

Laterality and grip strength influence hand bone micro-architecture in modern humans, an HRpQCT study.

PubMed

Reina, Nicolas; Cavaignac, Etienne; Trousdale, William H; Laffosse, Jean-Michel; Braga, José

2017-06-01

It is widely hypothesized that mechanical loading, specifically repetitive low-intensity tasks, influences the inner structure of cancellous bone. As such, there is likely a relationship between handedness and bone morphology. The aim of this study is to determine patterns in trabecular bone between dominant and non-dominant hands in modern humans. Seventeen healthy patients between 22 and 32 years old were included in the study. Radial carpal bones (lunate, capitate, scaphoid, trapezium, trapezoid, 1st, 2nd and 3rd metacarpals) were analyzed with high-resolution micro-computed tomography. Additionally, crush and pinch grip were recorded. Factorial analysis indicated that bone volume ratio, trabeculae number (Tb.N), bone surface to volume ratio (BS.BV), body weight, stature and crush grip were all positively correlated with principal components 1 and 2 explaining 78.7% of the variance. Volumetric and trabecular endostructural parameters (BV/TV, BS/BV or Tb.Th, Tb.N) explain the observed inter-individual variability better than anthropometric or clinical parameters. Factors analysis regressions showed correlations between these parameters and the dominant side for crush strength for the lunate (r 2 = 0.640, P < 0.0001), trapezium (r 2 = 0.836, P < 0.0001) and third metacarpal (r 2 = 0.763). However, despite a significant lateralization in grip strength for all patients, the endostructural variability between dominant and non-dominant sides was limited in perspective to inter-individual differences. In conclusion, handedness is unlikely to generate trabecular patterns of asymmetry. It appears, however, that crush strength can be considered for endostructural analysis in the modern human wrist. © 2017 Anatomical Society.

Toxicity of ionic liquids: database and prediction via quantitative structure-activity relationship method.

PubMed

Zhao, Yongsheng; Zhao, Jihong; Huang, Ying; Zhou, Qing; Zhang, Xiangping; Zhang, Suojiang

2014-08-15

A comprehensive database on toxicity of ionic liquids (ILs) is established. The database includes over 4000 pieces of data. Based on the database, the relationship between IL's structure and its toxicity has been analyzed qualitatively. Furthermore, Quantitative Structure-Activity relationships (QSAR) model is conducted to predict the toxicities (EC50 values) of various ILs toward the Leukemia rat cell line IPC-81. Four parameters selected by the heuristic method (HM) are used to perform the studies of multiple linear regression (MLR) and support vector machine (SVM). The squared correlation coefficient (R(2)) and the root mean square error (RMSE) of training sets by two QSAR models are 0.918 and 0.959, 0.258 and 0.179, respectively. The prediction R(2) and RMSE of QSAR test sets by MLR model are 0.892 and 0.329, by SVM model are 0.958 and 0.234, respectively. The nonlinear model developed by SVM algorithm is much outperformed MLR, which indicates that SVM model is more reliable in the prediction of toxicity of ILs. This study shows that increasing the relative number of O atoms of molecules leads to decrease in the toxicity of ILs. Copyright © 2014 Elsevier B.V. All rights reserved.

Estimating 3D Leaf and Stem Shape of Nursery Paprika Plants by a Novel Multi-Camera Photography System

PubMed Central

Zhang, Yu; Teng, Poching; Shimizu, Yo; Hosoi, Fumiki; Omasa, Kenji

2016-01-01

For plant breeding and growth monitoring, accurate measurements of plant structure parameters are very crucial. We have, therefore, developed a high efficiency Multi-Camera Photography (MCP) system combining Multi-View Stereovision (MVS) with the Structure from Motion (SfM) algorithm. In this paper, we measured six variables of nursery paprika plants and investigated the accuracy of 3D models reconstructed from photos taken by four lens types at four different positions. The results demonstrated that error between the estimated and measured values was small, and the root-mean-square errors (RMSE) for leaf width/length and stem height/diameter were 1.65 mm (R2 = 0.98) and 0.57 mm (R2 = 0.99), respectively. The accuracies of the 3D model reconstruction of leaf and stem by a 28-mm lens at the first and third camera positions were the highest, and the number of reconstructed fine-scale 3D model shape surfaces of leaf and stem is the most. The results confirmed the practicability of our new method for the reconstruction of fine-scale plant model and accurate estimation of the plant parameters. They also displayed that our system is a good system for capturing high-resolution 3D images of nursery plants with high efficiency. PMID:27314348

Conformational stability, r(0) structural parameters, vibrational assignments and ab initio calculations of ethyldichlorophosphine.

PubMed

Darkhalil, Ikhlas D; Paquet, Charles; Waqas, Mohammad; Gounev, Todor K; Durig, James R

2015-02-05

Variable temperature (-60 to -100 °C) studies of ethyldichlorophosphine, CH3CH2PCl2, of the infrared spectra (4000-400 cm(-1)) dissolved in liquid xenon have been carried out. From these data, the two conformers have been identified and the enthalpy difference has been determined between the more stable trans conformer and the less stable gauche form to be 88±9 cm(-1) (1.04±0.11 kJ/mol). The percentage of abundance of the gauche conformer is estimated to be 57% at ambient temperature. The conformational stabilities have been predicted from ab initio calculations by utilizing many different basis sets up to aug-cc-pVTZ for both MP2(full) and density functional theory calculations by the B3LYP method. Vibrational assignments have been provided for both conformers which have been predicted by MP2(full)/6-31G(d) ab initio calculations to predict harmonic force fields, wavenumbers of the fundamentals, infrared intensities, Raman activities and depolarization ratios for both conformers. Estimated r0 structural parameters have been obtained from adjusted MP2(full)/6-311+G(d,p) calculations. The results are discussed and compared to the corresponding properties of some related molecules. Copyright © 2014 Elsevier B.V. All rights reserved.

Pinus sylvestris L. needle surface wettability parameters as indicators of atmospheric environment pollution impacts: Novel contact angle hysteresis methodology

NASA Astrophysics Data System (ADS)

Pogorzelski, Stanisław J.; Rochowski, Pawel; Szurkowski, Janusz

2014-02-01

An investigation of water contact angles (CAs), contact angle hysteresis (CAH) was carried out for 1-year to 4-year old needles (Pinus sylvestris) collected in urban (Gdansk) and rural (Karsin) locations using an original measuring technique based on the geometry of the drop on a vertical filament. Concentrations of air pollutants (SO2, NOx, C6H6, and suspended particular matter - SPM) currently considered to be most important in causing direct damage to vegetation were simultaneously monitored. A set of the surface wettability parameters: the apparent surface free energy γSV, adhesive film tension Π, work of adhesion WA, and spreading WS, were determined from CAH data using the approach developed by Chibowski (2003) to quantify the surface energetics of the needle substrata affected by aging and pollution impacts. This formalism relates the total apparent surface free energy of the solid γSV with only three measurable quantities: the surface tension of the probe liquid γLV and its advancing θA and receding θR contact angle hysteresis. Since CAH depends on the outermost wax layer surface roughness and spatial physicochemical heterogeneity of a solid surface, CA data were corrected using surface architecture profiles registered with confocal scanning laser microscopy. It was found that the roughness parameter r is significantly negatively correlated (R = -0.74) with the needle age (collected at Karsin). The needle surface aging process resulted in its surface hydrophilization (CA↓ and CAH↓ with γSV↑ and WA↑). A temporal evolution of the needles wettability was traced with the data point distribution in the 2D space of CAH plotted versus WS. The wettability parameters were closely correlated to pollutant concentrations as evidenced from Spearman's rank correlation procedure (R = 0.63-0.91; p < 0.05). The aim of the study was to validate the established CA methodology to create a new non-invasive, low-cost technique suitable for monitoring of structural changes at interfaces of biological systems.

Impact factors and the optimal parameter of acoustic structure quantification in the assessment of liver fibrosis.

PubMed

Huang, Yang; Liu, Guang-Jian; Liao, Bing; Huang, Guang-Liang; Liang, Jin-Yu; Zhou, Lu-Yao; Wang, Fen; Li, Wei; Xie, Xiao-Yan; Wang, Wei; Lu, Ming-De

2015-09-01

The aims of the present study are to assess the impact factors on acoustic structure quantification (ASQ) ultrasound and find the optimal parameter for the assessment of liver fibrosis. Twenty healthy volunteers underwent ASQ examinations to evaluate impact factors in ASQ image acquisition and analysis. An additional 113 patients with liver diseases underwent standardized ASQ examinations, and the results were compared with histologic staging of liver fibrosis. We found that the right liver displayed lower values of ASQ parameters than the left (p = 0.000-0.021). Receive gain experienced no significant impact except gain 70 (p = 0.193-1.000). With regard to different diameter of involved vessels in regions of interest, the group ≤2.0 mm differed significantly with the group 2.1-5.0 mm (p = 0.000-0.033) and the group >5.0 mm (p = 0.000-0.062). However, the region of interest size (p = 0.438-1.000) and depth (p = 0.072-0.764) had no statistical impact. Good intra- and inter-operator reproducibilities were found in both image acquisitions and offline image analyses. In the liver fibrosis study, the focal disturbance ratio had the highest correlation with histologic fibrosis stage (r = 0.67, p < 0.001). In conclusion, the testing position, receive gain and involved vessels were the main factors in ASQ examinations and focal disturbance ratio was the optimal parameter in the assessment of liver fibrosis. Copyright © 2015 World Federation for Ultrasound in Medicine & Biology. Published by Elsevier Inc. All rights reserved.

Measurement of the τ Michel parameters \\bar{η} and ξκ in the radiative leptonic decay τ^- \\rArr ℓ^- ν_{τ} \\bar{ν}_{ℓ}γ

NASA Astrophysics Data System (ADS)

Shimizu, N.; Aihara, H.; Epifanov, D.; Adachi, I.; Al Said, S.; Asner, D. M.; Aulchenko, V.; Aushev, T.; Ayad, R.; Babu, V.; Badhrees, I.; Bakich, A. M.; Bansal, V.; Barberio, E.; Bhardwaj, V.; Bhuyan, B.; Biswal, J.; Bobrov, A.; Bozek, A.; Bračko, M.; Browder, T. E.; Červenkov, D.; Chang, M.-C.; Chang, P.; Chekelian, V.; Chen, A.; Cheon, B. G.; Chilikin, K.; Cho, K.; Choi, S.-K.; Choi, Y.; Cinabro, D.; Czank, T.; Dash, N.; Di Carlo, S.; Doležal, Z.; Dutta, D.; Eidelman, S.; Fast, J. E.; Ferber, T.; Fulsom, B. G.; Garg, R.; Gaur, V.; Gabyshev, N.; Garmash, A.; Gelb, M.; Goldenzweig, P.; Greenwald, D.; Guido, E.; Haba, J.; Hayasaka, K.; Hayashii, H.; Hedges, M. T.; Hirose, S.; Hou, W.-S.; Iijima, T.; Inami, K.; Inguglia, G.; Ishikawa, A.; Itoh, R.; Iwasaki, M.; Jaegle, I.; Jeon, H. B.; Jia, S.; Jin, Y.; Joo, K. K.; Julius, T.; Kang, K. H.; Karyan, G.; Kawasaki, T.; Kiesling, C.; Kim, D. Y.; Kim, J. B.; Kim, S. H.; Kim, Y. J.; Kinoshita, K.; Kodyž, P.; Korpar, S.; Kotchetkov, D.; Križan, P.; Kroeger, R.; Krokovny, P.; Kulasiri, R.; Kuzmin, A.; Kwon, Y.-J.; Lange, J. S.; Lee, I. S.; Li, L. K.; Li, Y.; Li Gioi, L.; Libby, J.; Liventsev, D.; Masuda, M.; Merola, M.; Miyabayashi, K.; Miyata, H.; Mohanty, G. B.; Moon, H. K.; Mori, T.; Mussa, R.; Nakano, E.; Nakao, M.; Nanut, T.; Nath, K. J.; Natkaniec, Z.; Nayak, M.; Niiyama, M.; Nisar, N. K.; Nishida, S.; Ogawa, S.; Okuno, S.; Ono, H.; Pakhlova, G.; Pal, B.; Park, C. W.; Park, H.; Paul, S.; Pedlar, T. K.; Pestotnik, R.; Piilonen, L. E.; Popov, V.; Ritter, M.; Rostomyan, A.; Sakai, Y.; Salehi, M.; Sandilya, S.; Sato, Y.; Savinov, V.; Schneider, O.; Schnell, G.; Schwanda, C.; Seino, Y.; Senyo, K.; Sevior, M. E.; Shebalin, V.; Shibata, T.-A.; Shiu, J.-G.; Shwartz, B.; Sokolov, A.; Solovieva, E.; Starič, M.; Strube, J. F.; Sumisawa, K.; Sumiyoshi, T.; Tamponi, U.; Tanida, K.; Tenchini, F.; Trabelsi, K.; Uchida, M.; Uglov, T.; Unno, Y.; Uno, S.; Usov, Y.; Van Hulse, C.; Varner, G.; Vorobyev, V.; Vossen, A.; Wang, C. H.; Wang, M.-Z.; Wang, P.; Watanabe, M.; Widmann, E.; Won, E.; Yamashita, Y.; Ye, H.; Yuan, C. Z.; Zhang, Z. P.; Zhilich, V.; Zhukova, V.; Zhulanov, V.; Zupanc, A.

2018-02-01

We present a measurement of the Michel parameters of the τ lepton, \\bar{η} and ξκ, in the radiative leptonic decay τ^- \\rArr ℓ^- ν_{τ} \\bar{ν}_{ℓ} γ using 711 fb^{-1} of collision data collected with the Belle detector at the KEKB e^+e^- collider. The Michel parameters are measured in an unbinned maximum likelihood fit to the kinematic distribution of e^+e^-\\rArrτ^+τ^-\\rArr (π^+π^0 \\bar{ν}_τ)(ℓ^-ν_{τ}\\bar{ν}_{ℓ}γ)(ℓ=e or μ). The measured values of the Michel parameters are \\bar{η} = -1.3 ± 1.5 ± 0.8 and ξκ = 0.5 ± 0.4 ± 0.2, where the first error is statistical and the second is systematic. This is the first measurement of these parameters. These results are consistent with the Standard Model predictions within their uncertainties, and constrain the coupling constants of the generalized weak interaction.

Iron Compounds and the Color of Soils in the Sakhalin Island

NASA Astrophysics Data System (ADS)

Vodyanitskii, Yu. N.; Kirillova, N. P.; Manakhov, D. V.; Karpukhin, M. M.

2018-02-01

Numerical parameters of soil color were studied according to the CIE-L*a*b color system before and after the Tamm's and Mehra-Jackson's treatments; we also determined the total Fe content in the samples from the main genetic horizons of the alluvial gray-humus soil, two profiles of burozems, and two profiles of podzols in the Sakhalin Island. In the analyzed samples, the numerical color parameters L* (lightness), a* (redness) and b* (yellowness) are found to vary within 46-73, 3-11, and 8-28, respectively. A linear relationship is revealed between the numerical values of a* parameters and Fe content in the Mehra-Jackson extracts; the regression equations are derived with the determination coefficients ( R 2): 0.49 (typical burozem), 0.79 (podzolized burozem), 0.96 (shallow-podzolic mucky podzol), 0.98 (gray-humus gley alluvial soil). For the surface-podzolic mucky podzol contaminated with petroleum hydrocarbons, R 2 was equal to only 0.03. In the gray humus (AY) and structural-metamorphic (BM) horizons of the studied soils, a* and b* parameters decrease after their treatment with the Tamm's reagent by 2 points on average. After the Mehra-Jackson treatment, the a* parameter decreased by 6 (AY) and 8 (BM) points; whereas b* parameter, by 10 and 15 points, respectively. In the E horizons of podzols, the Tamm's treatment increased a* and b* parameters by 1 point; whereas the Mehra-Jackson's treatment decreased these parameters by only 1 and 3 points, respectively. The redness (a*) decreased maximally in the lower gley horizon of the alluvial gray humus soil, i.e., by 6 (in the Tamm's extract) and 10 points (in the Mehra-Jackson's) extract. Yellowness (b*) decreased by 12 and 17 points, respectively. The revealed color specifics in the untreated samples and the color transformation under the impact of reagents in the studied soils and horizons may serve as an additional parameter that characterizes quantitatively the object of investigation in the reference databases.

PHOENIX: a scoring function for affinity prediction derived using high-resolution crystal structures and calorimetry measurements.

PubMed

Tang, Yat T; Marshall, Garland R

2011-02-28

Binding affinity prediction is one of the most critical components to computer-aided structure-based drug design. Despite advances in first-principle methods for predicting binding affinity, empirical scoring functions that are fast and only relatively accurate are still widely used in structure-based drug design. With the increasing availability of X-ray crystallographic structures in the Protein Data Bank and continuing application of biophysical methods such as isothermal titration calorimetry to measure thermodynamic parameters contributing to binding free energy, sufficient experimental data exists that scoring functions can now be derived by separating enthalpic (ΔH) and entropic (TΔS) contributions to binding free energy (ΔG). PHOENIX, a scoring function to predict binding affinities of protein-ligand complexes, utilizes the increasing availability of experimental data to improve binding affinity predictions by the following: model training and testing using high-resolution crystallographic data to minimize structural noise, independent models of enthalpic and entropic contributions fitted to thermodynamic parameters assumed to be thermodynamically biased to calculate binding free energy, use of shape and volume descriptors to better capture entropic contributions. A set of 42 descriptors and 112 protein-ligand complexes were used to derive functions using partial least-squares for change of enthalpy (ΔH) and change of entropy (TΔS) to calculate change of binding free energy (ΔG), resulting in a predictive r2 (r(pred)2) of 0.55 and a standard error (SE) of 1.34 kcal/mol. External validation using the 2009 version of the PDBbind "refined set" (n = 1612) resulted in a Pearson correlation coefficient (R(p)) of 0.575 and a mean error (ME) of 1.41 pK(d). Enthalpy and entropy predictions were of limited accuracy individually. However, their difference resulted in a relatively accurate binding free energy. While the development of an accurate and applicable scoring function was an objective of this study, the main focus was evaluation of the use of high-resolution X-ray crystal structures with high-quality thermodynamic parameters from isothermal titration calorimetry for scoring function development. With the increasing application of structure-based methods in molecular design, this study suggests that using high-resolution crystal structures, separating enthalpy and entropy contributions to binding free energy, and including descriptors to better capture entropic contributions may prove to be effective strategies toward rapid and accurate calculation of binding affinity.

The Association of Macro- and Micronutrient Intake with Growth Hormone Secretion

PubMed Central

Denny-Brown, S.; Stanley, T.L.; Grinspoon, S.K.; Makimura, H.

2012-01-01

Context Growth hormone (GH) is known to be nutritionally regulated, but the effect of dietary composition on detailed GH secretion parameters has not previously been comprehensively evaluated. Objective The objective of the study was to determine whether specific macro- and micronutrients are associated with discrete parameters of GH secretion among subjects with wide ranges of body mass index. Design Detailed macro- and micronutrient intake was assessed by four-day food records while GH secretion was assessed by standard stimulation testing in 108 men and women in one study (Study 1), and by overnight frequent blood sampling in 12 men in another study (Study 2). Results Peak stimulated GH was positively associated with vitamin C (r=+0.29; P=0.003), dietary fiber (r=+0.27; P=0.004), arachidic acid (r=+0.25; P=0.008), and behenic acid (r=+0.30; P=0.002) intake in univariate analysis. Controlling for age, gender, race/ethnicity, visceral fat, HOMA-IR, total caloric intake and these four dietary factors in step-wise multivariate modeling, peak GH remained significantly associated with vitamin C and visceral fat (both P<0.05). In addition, vitamin C intake was associated with various parameters of endogenous GH secretion including basal GH secretion (r=+0.95; P<0.0001), GH half-life (r=+0.75; P=0.005), total GH production (r=+0.76; P=0.004), GH area-under-the-curve (r=+0.89; P=0.0001), mean log10 GH pulse area (r=+0.67; P=0.02), and overnight maximum (r=+0.62; P=0.03), nadir (r=+0.97; P<0.0001), and mean GH secretion (r=+0.89; P=0.0001). Conclusions These results suggest that certain micronutrients such as vitamin C intake are strongly and uniquely associated with stimulated and endogenous spontaneous GH secretion. PMID:22465725

TU-C-12A-11: Comparisons Between Cu-ATSM PET and DCE-CT Kinetic Parameters in Canine Sinonasal Tumors

DOE Office of Scientific and Technical Information (OSTI.GOV)

La Fontaine, M; Bradshaw, T; Kubicek, L

2014-06-15

Purpose: Regions of poor perfusion within tumors may be associated with higher hypoxic levels. This study aimed to test this hypothesis by comparing measurements of hypoxia from Cu-ATSM PET to vasculature kinetic parameters from DCE-CT kinetic analysis. Methods: Ten canine patients with sinonasal tumors received one Cu-ATSM PET/CT scan and three DCE-CT scans prior to treatment. Cu-ATSM PET/CT and DCE-CT scans were registered and resampled to matching voxel dimensions. Kinetic analysis was performed on DCE-CT scans and for each patient, the resulting kinetic parameter values from the three DCE-CT scans were averaged together. Cu-ATSM SUVs were spatially correlated (r{sub spatial})more » on a voxel-to-voxel basis against the following DCE-CT kinetic parameters: transit time (t{sub 1}), blood flow (F), vasculature fraction (v{sub 1}), and permeability (PS). In addition, whole-tumor comparisons were performed by correlating (r{sub ROI}) the mean Cu-ATSM SUV (SUV{sub mean}) with median kinetic parameter values. Results: The spatial correlations (r{sub spatial}) were poor and ranged from -0.04 to 0.21 for all kinetic parameters. These low spatial correlations may be due to high variability in the DCE-CT kinetic parameter voxel values between scans. In our hypothesis, t{sub 1} was expected to have a positive correlation, while F was expected to have a negative correlation to hypoxia. However, in wholetumor analysis the opposite was found for both t{sub 1} (r{sub ROI} = -0.25) and F (r{sub ROI} = 0.56). PS and v{sub 1} may depict angiogenic responses to hypoxia and found positive correlations to Cu-ATSM SUV for PS (r{sub ROI} = 0.41), and v{sub 1} (r{sub ROI} = 0.57). Conclusion: Low spatial correlations were found between Cu-ATSM uptake and DCE-CT vasculature parameters, implying that poor perfusion is not associated with higher hypoxic regions. Across patients, the most hypoxic tumors tended to have higher blood flow values, which is contrary to our initial hypothesis. Funding: R01 CA136927.« less

The structure of carbodiimide, HNCNH

NASA Astrophysics Data System (ADS)

Jabs, Wolfgang; Winnewisser, Manfred; Belov, Sergei P.; Lewen, Frank; Maiwald, Frank; Winnewisser, Gisbert

An experimentally determined rs -type structure of HNCNH is reported: rNH = 1.0074 A, rCN = 1.2242 A, /HNC = 118.63, /NCN = 170.63, /HN NH = 88.99 . The number of digits quoted allow for errors with two significant figures. In order to obtain these values we recorded rotational-torsional spectra of HN13CNH, H15NC15NH and DNCND, by using isotopically enriched cyanamide. A chemical equilibrium exists between carbodiimide, HNCNH, and the more stable isomer cyanamide, H2NCN, which strongly favours cyanamide (approximately 1:115 at 110 oC). The expensive C- and N-substituted isotopomers could only be investigated in the millimetre wave region, while for DNCND the far infrared spectrum between 10-350 cm-1 was also recorded. Rotational constants of the three isotopomers, as well as of the parent species, were determined by fitting the assigned spectral transitions to the Watson Hamiltonian in S reduction. Using fitting programs written by Schwendeman and Rudolph, r0, rs and rrho m structures of HNCNH were derived. The experimentally determined structural parameters are compared with an ab initio re structure.

Genetic diversity and relationship of Hedychium from Northeast India as dissected using PCA analysis and hierarchical clustering.

PubMed

Basak, Supriyo; Ramesh, Aadi Moolam; Kesari, Vigya; Parida, Ajay; Mitra, Sudip; Rangan, Latha

2014-12-01

Molecular genetic fingerprints of eleven Hedychium species from Northeast India were developed using PCR based markers. Fifteen inter-simple sequence repeats (ISSRs) and five amplified fragment length polymorphism (AFLP) primers produced 547 polymorphic fragments. Positive correlation (r = 0.46) was observed between the mean genetic similarity and genetic diversity parameters at the inter-species level. AFLP and ISSR markers were able to group the species according to its altitude and intensity of flower aroma. Cophenetic correlation coefficients between the dendrogram and the original similarity matrix were significant for ISSR (r = 0.89) compared to AFLP (r = 0.83) markers. This genetic characterization of Hedychium from Northeast India contributes to the knowledge of genetic structure of the species and can be used to define strategies for their conservation and management.

Physical development and swimming performance during biological maturation in young female swimmers.

PubMed

Lätt, Evelin; Jürimäe, Jaak; Haljaste, Kaja; Cicchella, Antonio; Purge, Priit; Jürimäe, Toivo

2009-03-01

The present study analyzed the development of physiological, biomechanical and anthropometrical parameters in young female swimmers and assessed the effect of these parameters on swimming performance during biological maturation. In total, 26 female swimmers participated in the study in which data were annually collected for two consecutive years. Body composition, basic anthropometrical parameters and biological age were measured. During the 400-m front-crawl swimming, the energy cost of swimming and stroking parameters were assessed. Peak oxygen consumption (VO2(peak)) was assessed by means of the backward-extrapolation technique recording VO2 during the first 20 sec of the recovery period after a maximal trial of 400-m distance. During the 2-year follow-up study period, age, height, body mass, body fat %, fat free mass, bone mineral mass, total bone mineral density, arm span and biological maturation values significantly increased during each year (p < 0.05). The tracking of the physical characteristics measured over the 2-year study period was relatively high (r > 0.694), except for the body fat% (r > 0.554). The tracking of the Tanner stages was also high (r = 0.759-0.780). Stepwise regression analyses showed that biomechanical factors (R2 > 0.322; p < 0.05) best characterized the 400-metre swimming performance in young female swimmers, followed by bioenergetical (R2 > 0.311; p < 0.05) and physical (R2 > 0.203; p < 0.05) factors during all three measurement times.

Structure of Escherichia coli AdhP (ethanol-inducible dehydrogenase) with bound NAD.

PubMed

Thomas, Leonard M; Harper, Angelica R; Miner, Whitney A; Ajufo, Helen O; Branscum, Katie M; Kao, Lydia; Sims, Paul A

2013-07-01

The crystal structure of AdhP, a recombinantly expressed alcohol dehydrogenase from Escherichia coli K-12 (substrain MG1655), was determined to 2.01 Å resolution. The structure, which was solved using molecular replacement, also included the structural and catalytic zinc ions and the cofactor nicotinamide adenine dinucleotide (NAD). The crystals belonged to space group P21, with unit-cell parameters a = 68.18, b = 118.92, c = 97.87 Å, β = 106.41°. The final R factor and Rfree were 0.138 and 0.184, respectively. The structure of the active site of AdhP suggested a number of residues that may participate in a proton relay, and the overall structure of AdhP, including the coordination to structural and active-site zinc ions, is similar to those of other tetrameric alcohol dehydrogenase enzymes.

Analysis of a model of gambiense sleeping sickness in humans and cattle.

PubMed

Ndondo, A M; Munganga, J M W; Mwambakana, J N; Saad-Roy, C M; van den Driessche, P; Walo, R O

2016-01-01

Human African Trypanosomiasis (HAT) and Nagana in cattle, commonly called sleeping sickness, is caused by trypanosome protozoa transmitted by bites of infected tsetse flies. We present a deterministic model for the transmission of HAT caused by Trypanosoma brucei gambiense between human hosts, cattle hosts and tsetse flies. The model takes into account the growth of the tsetse fly, from its larval stage to the adult stage. Disease in the tsetse fly population is modeled by three compartments, and both the human and cattle populations are modeled by four compartments incorporating the two stages of HAT. We provide a rigorous derivation of the basic reproduction number R0. For R0 < 1, the disease free equilibrium is globally asymptotically stable, thus HAT dies out; whereas (assuming no return to susceptibility) for R0 >1, HAT persists. Elasticity indices for R0 with respect to different parameters are calculated with baseline parameter values appropriate for HAT in West Africa; indicating parameters that are important for control strategies to bring R0 below 1. Numerical simulations with R0 > 1 show values for the infected populations at the endemic equilibrium, and indicate that with certain parameter values, HAT could not persist in the human population in the absence of cattle.

Spectroscopic Study of the Polar BS Tri

NASA Astrophysics Data System (ADS)

Borisov, N. V.; Gabdeev, M. M.; Shimansky, V. V.; Katysheva, N. A.; Shugarov, S. Yu.

2015-11-01

We have analyzed the spectra of the cataclysmic variable BS Tri taken in September 2011 and August 2012 with the 6-m BTA SAO RAS telescope. The object's spectra exhibit a flat continuum with superimposed strong hydrogen Balmer, neutral and ionized helium emission lines. Our analysis of the line profiles has shown that they consist of several components that are formed in the accretion structure and on the irradiated red dwarf surface. The measured radial velocities of one of the components of the line forming in a spot on the red dwarf surface have allowed the parameters of the system to be estimated: M 1 = 0.75 ± 0.02 M ⊙, M 2 = 0.16 ± 0.01 M ⊙, q = 0.21 ± 0.02, and R L2 = 0.18 ± 0.02 R ⊙. The Doppler maps constructed from the emission lines show no disk accretion, defining the system as a polar.

Electron acoustic nonlinear structures in planetary magnetospheres

NASA Astrophysics Data System (ADS)

Shah, K. H.; Qureshi, M. N. S.; Masood, W.; Shah, H. A.

2018-04-01

In this paper, we have studied linear and nonlinear propagation of electron acoustic waves (EAWs) comprising cold and hot populations in which the ions form the neutralizing background. The hot electrons have been assumed to follow the generalized ( r , q ) distribution which has the advantage that it mimics most of the distribution functions observed in space plasmas. Interestingly, it has been found that unlike Maxwellian and kappa distributions, the electron acoustic waves admit not only rarefactive structures but also allow the formation of compressive solitary structures for generalized ( r , q ) distribution. It has been found that the flatness parameter r , tail parameter q , and the nonlinear propagation velocity u affect the propagation characteristics of nonlinear EAWs. Using the plasmas parameters, typically found in Saturn's magnetosphere and the Earth's auroral region, where two populations of electrons and electron acoustic solitary waves (EASWs) have been observed, we have given an estimate of the scale lengths over which these nonlinear waves are expected to form and how the size of these structures would vary with the change in the shape of the distribution function and with the change of the plasma parameters.

Crystal structures of the diastereomeric salt pair of the prostaglandin intermediate 1 R, 2 S(+)- cis-2-hydroxycyclopent-4-enylacetic acid with S- and R- 1-phenylethylamine

NASA Astrophysics Data System (ADS)

Czugler, Mátyás; Csöregh, Ingeborg; Kálmán, Alajos; Faigl, Ferenc; Ács, Mária

1989-05-01

Crystal structures of an enantiomeric salt pair formed between 1 R,2 S- cis-2-hydroxycyclopent-4-enylacetic acid ( S-HCA) and R(+)-1-phenylethylamine ( R-PEA) and the corresponding S-PEA salt have been determined by X-ray crystallography. The S-HCA: R-PEA 1:1 salt ( R-HCA-PEA hereafter) is orthorhombic, P2 12 12 1, with the unit-cell parameters a = 5.806(1), b = 9.261(1), c = 27.624(2) Å and R = 0.056 for 1162 reflections at ambient temperature. The S-HCA: S-PEA 1:1 salt ( S-HCAPEA) is also orthorhombic, P2 12 12 1, with the unit-cell data a = 6.034(2), b = 11.840(7), c = 20.198(11) Å at 170 K, R = 0.082 for 1196 data measured at low temperatures (170 K). The R-HCAPEA salt has its two components assembled into an elongated rod-like shape via two-dimensional hydrogen bonding between cations and anions thus forming a well-ordered crystal. In contrast, the cation and anion in the S-HCAPEA salt forms a more globular aggregate and displays orientation disorder in the five-membered ring part of the anion and maintains an essentially one-dimensional hydrogen-bond network, while the total number of hydrogen bonds between cationic and anionic species remains three in both crystals.

Determination of molecular structure of succinic acid in a very complex conformational landscape: Gas-phase electron diffraction (GED) and ab initio studies

NASA Astrophysics Data System (ADS)

Vogt, Natalja; Abaev, Maxim A.; Rykov, Anatolii N.; Shishkov, Igor F.

2011-06-01

The molecular structure of succinic acid has been investigated by the gas-phase electron diffraction (GED) method for the first time. According to predictions of MP2/cc-pVTZ calculations, the molecule has 18 stable conformers with the C sbnd C sbnd C sbnd C chain in the gauche ( G) or anti ( A) configuration, and four of them, I ( G), II ( A), III ( G) and IV ( A) belonging to the C 2, C 2h, C 1 and C 1 point groups, respectively, with relative energies ΔE ZPE within 2.2 kcal/mol can be present at the experimental temperature of 445 K in noticeable amounts. The ratio of the conformers I:II:III:IV = 45(15):20(15):10(assumed):25(15) (in %) has been determined in the GED analysis guided by theoretical predictions. To take into account vibrational effects, the corrections Δ( r e - r a) to the experimental r a bond lengths were calculated from the MP2/cc-pVTZ quadratic and cubic force constants. The obtained equilibrium structural parameters of the dominant conformer I are the following (bond lengths in Å, angles in degrees): r e(C sp3sbnd C sp3) = 1.508(3), r e(C sp3sbnd C sp2) = 1.499(2), r e(C sbnd O) = 1.343(2), r e(C dbnd O) = 1.202(1), e(C sbnd C sbnd C) = 111.8(4), e(C sbnd C sbnd O) = 112.0(4), e(O sbnd C dbnd O) = 123.0(1), τ(C sbnd C sbnd C sbnd C) = 69.9(11). Yielding the best agreement with the GED structure, the MP2/cc-pVQZ approximation overestimates the C sbnd O and C dbnd O bond lengths by ca. 0.005(2) Å.

Associations between trace elements and clinical health parameters in the North Pacific loggerhead sea turtle (Caretta caretta) from Baja California Sur, Mexico.

PubMed

Ley-Quiñónez, César Paúl; Rossi-Lafferriere, Natalia Alejandra; Espinoza-Carreon, Teresa Leticia; Hart, Catherine Edwina; Peckham, Sherwood Hoyt; Aguirre, Alfredo Alonso; Zavala-Norzagaray, Alan Alfredo

2017-04-01

This study investigated selected trace elements toxicity in sea turtles Caretta caretta population from Baja California Sur (BCS), Mexico, by analyzing associations among Zn, Se, Cu, As, Cd, Ni, Mn, Pb, and Hg with various biochemical parameters (packed cell volume, leukocytes, and selected blood parameters), and whether their concentrations could have an impact on the health status of sea turtles. Blood samples from 22 loggerhead (C. caretta) sea turtles from BCS, Mexico, were collected for trace elements on biochemistry parameter analyses. Significant associations among trace element levels and the biochemistry parameters were found: Cd vs ALP (R 2  = 0.874, p ˂ 0.001), As vs ALP (R 2  = 0.656, p ˂ 0.001), Mn vs ALP (R 2  = 0.834, p ˂ 0.001), and Ni vs LDH (R 2  = 0.587, p ˂ 0.001). This study is the first report of the biochemical parameters of the North Pacific loggerhead sea turtle (C. caretta) from Baja California Sur, Mexico, and it is the first to observe several associations with toxic and essential trace elements. Our study reinforces the usefulness of blood for the monitoring of the levels of contaminating elements and the results suggest that, based on the associations with health clinical parameters, high levels of Cd and As could be representing a risk to the North Pacific loggerhead population health.

Truncated disc surface brightness profiles produced by flares

NASA Astrophysics Data System (ADS)

Borlaff, Alejandro; Eliche-Moral, M. Carmen; Beckman, John; Font, Joan

2017-03-01

Previous studies have discarded that flares in galactic discs may explain the truncation that are frequently observed in highly-inclined galaxies (Kregel et al. 2002). However, no study has systematically analysed this hypothesis using realistic models for the disc, the flare and the bulge. We derive edge-on and face-on surface brightness profiles for a series of realistic galaxy models with flared discs that sample a wide range of structural and photometric parameters across the Hubble Sequence, accordingly to observations. The surface brightness profile for each galaxy model has been simulated for edge-on and face-on views to find out whether the flared disc produces a significant truncation in the disc in the edge-on view compared to the face-on view or not. In order to simulate realistic images of disc galaxies, we have considered the observational distribution of the photometric parameters as a function of the morphological type for three mass bins (10 < log10(M/M ⊙) < 10.7, 10.7 < log10(M/M ⊙) < 11 and log10(M/M ⊙) > 11), and four morphological type bins (S0-Sa, Sb-Sbc, Sc-Scd and Sd-Sdm). For each mass bin, we have restricted the photometric and structural parameters of each modelled galaxy to their characteristic observational ranges (μ0, disc, μeff, bulge, B/T, M abs, r eff, n bulge, h R, disc) and the flare in the disc (h z, disc/h R, disc, ∂h z, disc/∂R, see de Grijs & Peletier 1997, Graham 2001, López-Corredoira et al. 2002, Yoachim & Dalcanton 2006, Bizyaev et al. 2014, Mosenkov et al. 2015). Contrary to previous claims, the simulations show that realistic flared disks can be responsible for the truncations observed in many edge-on systems, preserving the profile of the non-flared analogous model in face-on view. These breaks reproduce the properties of the weak-to-intermediate breaks observed in many real Type-II galaxies in the diagram relating the radial location of the break (R brkII) in units of the inner disk scale-length with the break strength S (Laine et al. 2014). Radial variation of the scale-height of the disc (flaring) can explain the existence of many breaks in edge-on galaxies, especially of those with low break strengths 10\\frac{ho}{hi} \\sim \\ [-0.3,-0.1]$ .

VITAMIN C AND ZINC INTAKES ARE RELATED TO BONE MACRO-ARCHITECTURAL STRUCTURE AND STRENGTH IN PREPUBESCENT GIRLS

PubMed Central

Laudermilk, Monica J.; Manore, Melinda M.; Thomson, Cynthia A.; Houtkooper, Linda B.; Farr, Joshua N.; Going, Scott B.

2012-01-01

Background The extent to which nutrient intake may influence bone structure and strength during maximum rates of skeletal growth remains uncertain. Objective To examine the relationship of dietary intake of micronutrients and bone macro-architectural structure in young girls. Design This cross-sectional analysis included baseline data from 363 4th and 6th grade girls enrolled in the Jump-In study. Nutrient intake was assessed using the Harvard Youth/Adolescent Food Frequency Questionnaire. Volumetric BMD (vBMD), bone geometry and strength were measured by peripheral quantitative computed tomography (pQCT). Correlations and regression modeling assessed relations between usual nutrient intake and bone parameters. Results In 4th grade girls, metaphyseal and diaphyseal area and circumferences, and diaphyseal strength were associated with vitamin C intake (r = 0.15–0.19; p<0.05). Zinc intake was correlated with diaphyseal vBMD (r = 0.15–0.16; p<0.05). Using multiple linear regression to adjust for important covariates, we observed significant independent associations for vitamin C and zinc with bone parameters. For every mg/d of vitamin C intake trabecular area increased by 11%, cortical strength improved by 14%; and periosteal and endosteal circumferences increased by 5% and 8.6%, respectively. For every mg/d of zinc intake, cortical vBMD increased by <1%. No significant associations were observed in 6th-grade girls. Conclusion Results of this study suggests that vitamin C and zinc intake are positively associated with objective measures of bone geometry, size and strength in 4th-grade girls. This indicates potential differences in micronutrient and bone associations at various age-associated stages of bone maturation perhaps indicative of competing hormonal influences. PMID:23076447

Dry eye in vitamin D deficiency: more than an incidental association.

PubMed

Yildirim, Pelin; Garip, Yeşim; Karci, Ayse Aslihan; Guler, Tuba

2016-01-01

The aim of this article is two-fold: (i) to demonstrate the relation between vitamin D deficiency and dry eye and impaired tear function; and (ii) to investigate the possible associations among clinical parameters of hypovitaminosis D with dry eye parameters. Fifty premenopausal women with vitamin D deficiency (serum vitamin D levels < 20 ng/mL) and 48 controls were included. Participants were assessed by Schirmer's test, tear break-up time test (TBUT), ocular surface disease index (OSDI), Stanford Health Assessment Questionnaire (HAQ), fatigue severity scale (FSS), and visual analogue scale-pain (VAS-pain). Lower scores in Schirmer's test and TBUT, and higher in OSDI were detected in patients with vitamin D deficiency than in controls (P < 0.05). FSS was negatively correlated with Schirmer's test (r = -0,29; P = 0.038) and TBUT scores (r = -0,43; P = 0.002); VAS-pain was negatively correlated with TBUT scores (r = -0.32; P = 0.023). HAQ scores showed no significant correlation with dry eye parameters (P > 0.05). Vitamin D level was negatively correlated with OSDI (r = -0.49; P < 0.001), and positively with Schirmer's test (r = 0.45; P = 0.001) and TBUT scores (r = 0.30; P = 0.029). Dry eye and impaired tear function in patients with vitamin D deficiency may indicate a protective role of vitamin D in the development of dry eye, probably by enhancing tear film parameters and reducing ocular surface inflammation. Patients with vitamin D deficiency should be evaluated for dry eye syndromes. © 2015 Asia Pacific League of Associations for Rheumatology and Wiley Publishing Asia Pty Ltd.

Crystal structure, quantum mechanical investigation, IR and NMR spectroscopy of two new organic salts: (C8H12NO)·[NO3] (I) and (C8H14N4)·[ClO4]2 (II)

NASA Astrophysics Data System (ADS)

Bayar, I.; Khedhiri, L.; Soudani, S.; Lefebvre, F.; Pereira da Silva, P. S.; Ben Nasr, C.

2018-06-01

Two new organic-inorganic hybrid materials, 4-methoxybenzylammonium nitrate, (C8H12NO)·[NO3] (I), and 2-(1-piperazinyl)pyrimidinium bis(perchlorate), (C8H14N4)·[ClO4]2(II), have been synthesized by an acid/base reaction at room temperature, their structures were determined by single crystal X-ray diffraction. Compound (I) crystallizes in the orthorhombic system and Pnma space group with a = 15.7908 (7), b = 6.8032 (3), c = 8.7091 (4) Å, V = 935.60 (7) Å3 with Z = 4. Full-matrix least-squares refinement converged at R = 0.038 and wR(F2) = 0.115. Compound (II) belongs to the monoclinic system, space group P21/c with the following parameters: a = 10.798(2), b = 7.330(1), c = 21.186(2) Å, β = 120.641 (4)°, V = 1442.7 (3) Å3and Z = 4. The structure was refined to R = 0.044, wR(F2) = 0.132. In the structures of (I) and (II), the anionic and cationic entities are interconnected by hydrogen bonding contacts forming three-dimensional networks. Intermolecular interactions were investigated by Hirshfeld surfaces and the contacts of the four different chloride atoms in (II) were compared. The Molecular Electrostatic Potential (MEP) maps and the HOMO and LUMO energy gaps of both compounds were computed. The vibrational absorption bands were identified by infrared spectroscopy. These compounds were also investigated by solid-state 13C, 35Cl and 15N NMR spectroscopy. DFT calculations allowed the attribution of the IR and NMR bands.

Optimization of grapevine yield by applying mathematical models to obtain quality wine products

NASA Astrophysics Data System (ADS)

Alina, Dobrei; Alin, Dobrei; Eleonora, Nistor; Teodor, Cristea; Marius, Boldea; Florin, Sala

2016-06-01

Relationship between the crop load and the grape yield and quality is a dynamic process, specific for wine cultivars and for fresh consumption varieties. Modeling these relations is important for the improvement of technological works. This study evaluated the interrelationship of crop load (B - buds number) and several production parameters (Y - yield; S - sugar; A - acidity; GaI - Glucoacidimetric index; AP - alcoholic potential; F - flavorings, WA - wine alcohol; SR - sugar residue, in Muscat Ottonel wine cultivar and Y - yield; S - sugar; A - acidity; GaI - Glucoacidimetric Index; CP - commercial production; BS - berries size in the Victoria table grape cultivar). In both varieties have been identified correlations between the independent variable (B - buds number as a result of pruning and training practices) and quality parameters analyzed (r = -0.699 for B vsY relationship; r = 0.961 for the relationship B vs S; r = -0.959 for B vs AP relationship; r = 0.743 for the relationship Y vs S, p <0.01, in the Muscat Ottonel cultivar, respectively r = -0.907 for relationship B vs Y; r = -0.975 for B vs CP relationship; r = -0.971 for relationship B vs BS; r = 0.990 for CP vs BS relationship in the Victoria cultivar. Through regression analysis were obtained models that describe the variation concerning production and quality parameters in relation to the independent variable (B - buds number) with statistical significance results.

Global analysis of sagittal spinal alignment in major deformities: correlation between lack of lumbar lordosis and flexion of the knee.

PubMed

Obeid, Ibrahim; Hauger, Olivier; Aunoble, Stéphane; Bourghli, Anouar; Pellet, Nicolas; Vital, Jean-Marc

2011-09-01

It has become well recognised that sagittal balance of the spine is the result of an interaction between the spine and the pelvis. Knee flexion is considered to be the last compensatory mechanism in case of sagittal imbalance, but only few studies have insisted on the relationship between spino-pelvic parameters and lower extremity parameters. Correlation between the lack of lumbar lordosis and knee flexion has not yet been established. A retrospective study was carried out on 28 patients with major spinal deformities. The EOS system was used to measure spinal and pelvic parameters and the knee flexion angle; the lack of lumbar lordosis was calculated after prediction of lumbar lordosis with two different formulas. Correlation analysis between the different measured parameters was performed. Lumbar lordosis correlated with sacral slope (r = -0.71) and moderately with knee flexion angle (r = 0.42). Pelvic tilt correlated moderately with knee flexion angle (r = 0.55). Lack of lumbar lordosis correlated best with knee flexion angle (r = 0.72 and r = 0.63 using the two formulas, respectively). Knee flexion as a compensatory mechanism to sagittal imbalance was well correlated to the lack of lordosis and, depending on the importance of the former parameter, the best procedure to correct sagittal imbalance could be chosen.

In silico prediction of toxicity of phenols to Tetrahymena pyriformis by using genetic algorithm and decision tree-based modeling approach.

PubMed

Abbasitabar, Fatemeh; Zare-Shahabadi, Vahid

2017-04-01

Risk assessment of chemicals is an important issue in environmental protection; however, there is a huge lack of experimental data for a large number of end-points. The experimental determination of toxicity of chemicals involves high costs and time-consuming process. In silico tools such as quantitative structure-toxicity relationship (QSTR) models, which are constructed on the basis of computational molecular descriptors, can predict missing data for toxic end-points for existing or even not yet synthesized chemicals. Phenol derivatives are known to be aquatic pollutants. With this background, we aimed to develop an accurate and reliable QSTR model for the prediction of toxicity of 206 phenols to Tetrahymena pyriformis. A multiple linear regression (MLR)-based QSTR was obtained using a powerful descriptor selection tool named Memorized_ACO algorithm. Statistical parameters of the model were 0.72 and 0.68 for R training 2 and R test 2 , respectively. To develop a high-quality QSTR model, classification and regression tree (CART) was employed. Two approaches were considered: (1) phenols were classified into different modes of action using CART and (2) the phenols in the training set were partitioned to several subsets by a tree in such a manner that in each subset, a high-quality MLR could be developed. For the first approach, the statistical parameters of the resultant QSTR model were improved to 0.83 and 0.75 for R training 2 and R test 2 , respectively. Genetic algorithm was employed in the second approach to obtain an optimal tree, and it was shown that the final QSTR model provided excellent prediction accuracy for the training and test sets (R training 2 and R test 2 were 0.91 and 0.93, respectively). The mean absolute error for the test set was computed as 0.1615. Copyright © 2016 Elsevier Ltd. All rights reserved.

Zr 2Ir 6B with an eightfold superstructure of the cubic perovskite-like boride ZrIr 3B 0.5: Synthesis, crystal structure and bonding analysis

NASA Astrophysics Data System (ADS)

Hermus, Martin; Fokwa, Boniface P. T.

2010-04-01

Single phase powder samples and single crystals of Zr 2Ir 6B were successfully synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere. Superstructure reflections were observed both on powder and on single crystal diffraction data, leading to an eightfold superstructure of ZrIr 3B x phase. The new phase, which has a metallic luster, crystallizes in space group Fm3¯m (no. 225) with the lattice parameters a=7.9903(4) Å, V=510.14(4) Å 3. Its crystal structure was refined on the basis of powder as well as single crystal data. The single crystal refinement converged to R1=0.0239 and w R2=0.0624 for all 88 unique reflections and 6 parameters. Zr 2Ir 6B is isotypic to Ti 2Rh 6B and its structure can be described as a defect double perovskite, A2BB' O6, where the A site is occupied by zirconium, the B site by boron, the O site by iridium but the B' site is vacant, leading to the formation of empty and boron-filled octahedral Ir 6 clusters. According to the result of tight-binding electronic structure calculations, Ir-B and Ir-Zr interactions are mainly responsible for the structural stability of the phase. According to COHP bonding analysis, the strongest bonding occurs for the Ir-B contacts, and the Ir-Ir bonding within the empty clusters is two times stronger than that in the BIr 6 octahedra.

Opposite Associations of Plasma Homoarginine and Ornithine with Arginine in Healthy Children and Adolescents

PubMed Central

JaŸwińska-Kozuba, Aleksandra; Martens-Lobenhoffer, Jens; Kruszelnicka, Olga; Rycaj, Jarosław; Chyrchel, Bernadeta; Surdacki, Andrzej; Bode-Böger, Stefanie M.

2013-01-01

Homoarginine, a non-proteinogenic amino acid, is formed when lysine replaces ornithine in reactions catalyzed by hepatic urea cycle enzymes or lysine substitutes for glycine as a substrate of renal arginine:glycine amidinotransferase. Decreased circulating homoarginine and elevated ornithine, a downstream product of arginase, predict adverse cardiovascular outcome. Our aim was to investigate correlates of plasma homoarginine and ornithine and their relations with carotid vascular structure in 40 healthy children and adolescents aged 3–18 years without coexistent diseases or subclinical carotid atherosclerosis. Homoarginine, ornithine, arginine, asymmetric dimethylarginine (ADMA) and symmetric dimethylarginine (SDMA) were measured by liquid chromatography-tandem mass spectrometry with stable isotope-labeled internal standards. Intima-media thickness (IMT) and extra-medial thickness (EMT) of common carotid arteries were estimated by B-mode ultrasound. Homoarginine correlated with arginine (r = 0.43, p = 0.005), age (r = 0.42, p = 0.007) and, weakly, with an increased arginine-to-ornithine ratio, a putative measure of lower arginase activity (r = 0.31, p = 0.048). Ornithine correlated inversely with arginine (r = −0.64, p < 0.001). IMT, EMT or their sum were unrelated to any of the biochemical parameters (p > 0.12). Thus, opposite associations of plasma homoarginine and ornithine with arginine may partially result from possible involvement of arginase, an enzyme controlling homoarginine degradation and ornithine synthesis from arginine. Age-dependency of homoarginine levels can reflect developmental changes in homoarginine metabolism. However, neither homoarginine nor ornithine appears to be associated with carotid vascular structure in healthy children and adolescents. PMID:24192823

Crystal structure of Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2} and luminescence properties of Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2}:Eu{sup 2+}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iwata, Tomoyuki; Haniuda, Masahide; Fukuda, Koichiro

2008-01-15

The crystal structure of Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2} was determined from laboratory X-ray powder diffraction data (CuK{alpha}{sub 1}) using the Rietveld method, with the anisotropic displacement parameters being assigned for all atoms. The crystal structure is cubic (space group I4-bar 3d, Z=2) with lattice dimensions a=1.200950(5) nm and V=1.73211(1) nm{sup 3}. The reliability indices calculated from the Rietveld method were R{sub wp}=8.48% (S=1.21), R{sub p}=6.05%, R{sub B}=1.27% and R{sub F}=1.01%. The validity of the structural model was verified by the three-dimensional electron density distribution, the structural bias of which was reduced as much as possible using the maximum-entropy methods-basedmore » pattern fitting (MPF). The reliability indices calculated from the MPF were R{sub B}=0.75% and R{sub F}=0.56%. In the structural model there are one Ca site, two Al sites, two O sites and one Cl site. This compound is isomorphous with Ca{sub 12}Al{sub 10.6}Si{sub 3.4}O{sub 32}Cl{sub 5.4}. Europium-doped sample Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2}:Eu{sup 2+} was prepared and the photoluminescence properties were presented. The excitation spectrum consisted of two wide bands, which were located at about 268 and 324 nm. The emission spectrum, when excited at 324 nm, resulted in indigo light with a peak at about 442 nm. - Graphical abstract: A portion of the crystal structure of Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2} showing eight-membered AlO{sub 4} rings and Ca-Cl-Ca unit.« less

Effects of scandium substitution on the crystal structure and luminescence properties of LuBO{sub 3}: Ce{sup 3+}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Yuntao, E-mail: caswyt@hotmail.com; Ren, Guohao, E-mail: rgh@mail.sic.ac.cn; Ding, Dongzhou

2012-10-15

The calcite phase of LuBO{sub 3} and ScBO{sub 3} polycrystalline powders were synthesized by solid state reaction method, and the Lu{sub 1-x}Sc{sub x}BO{sub 3}:Ce (x=0.2, 0.5, 0.7) single crystals were grown by the Czochralski method. A large composition deviation between the initial polycrystalline powders and final single crystal was confirmed by electron probe micro-analysis. Raman spectroscopy revealed that moderate lattice disorder was induced by scandium substitution. However, based on the single crystal X-ray study, we finally concluded that the crystal structure of lutetium scandium orthoborate still crystallized in the rhombohedral system belonging to R3{sup -}c. Furthermore, the relationship between themore » energies of the five 5d levels of Ce{sup 3+} and the crystalline environment was revealed. The total redshift, total crystal field splitting, and centroid shift of Lu{sub 1-x}Sc{sub x}BO{sub 3}:Ce{sup 3+} were calculated based on their VUV excitation spectra. The variations trend of these observed spectroscopic parameters was in accordance with the predicted ones. - Graphical abstract: The crystal structure of Lu{sub 1-x}Sc{sub x}BO{sub 3}:Ce is rhombohedral system with R3{sup -}c space group. The relationship between the energies of the five Ce{sup 3+} 5d levels and the crystalline environment is established. Highlights: Black-Right-Pointing-Pointer Moderate lattice disorder is induced by scandium doping. Black-Right-Pointing-Pointer The crystal structure of Lu{sub 1-x}Sc{sub x}BO{sub 3}:Ce is rhombohedral system with R3{sup -}c space group. Black-Right-Pointing-Pointer Relationship between energies of Ce{sup 3+} 5d levels and crystalline environment is established. Black-Right-Pointing-Pointer The spectroscopic parameters are experimentally and theoretically calculated.« less

Hepatic Fibrosis, Inflammation, and Steatosis: Influence on the MR Viscoelastic and Diffusion Parameters in Patients with Chronic Liver Disease.

PubMed

Leitão, Helena S; Doblas, Sabrina; Garteiser, Philippe; d'Assignies, Gaspard; Paradis, Valérie; Mouri, Feryel; Geraldes, Carlos F G C; Ronot, Maxime; Van Beers, Bernard E

2017-04-01

Purpose To determine the relationship of liver fibrosis, inflammation, and steatosis with the magnetic resonance (MR) viscoelastic and diffusion parameters in patients with chronic liver disease and to compare the diagnostic accuracy of the imaging parameters in staging liver fibrosis. Materials and Methods Consecutive patients with chronic liver disease scheduled for liver biopsy were prospectively recruited from November 2010 to October 2012 for this institutional review board-approved study after they provided written informed consent. Sixty-eight patients underwent three-dimensional MR elastography and intravoxel incoherent motion diffusion-weighted MR imaging with a 1.5-T MR system. Fibrosis, inflammation, and steatosis were assessed with the METAVIR and steatosis, activity, and fibrosis (or SAF) scoring systems. Spearman correlation and multiple regression analyses were performed to determine the relationship between liver fibrosis, inflammation, steatosis, and alanine aminotransferase (ALT) levels and viscoelastic and diffusion parameters. The accuracy of three-dimensional MR elastography and diffusion-weighted MR imaging in the determination of fibrosis stage was assessed with Obuchowski measures. Results At multiple regression analysis, fibrosis was the only variable associated with viscoelastic parameters (β = 0.6, P < .001, R 2 = 0.33 for shear modulus; β = 0.6, P < .001, R 2 = 0.32 for elasticity). Fibrosis had a weaker independent association with the apparent diffusion coefficient (β = -0.3, P = .02, R 2 = 0.33) than did steatosis (β = -0.5, P < .001, R 2 = 0.33). Steatosis was the only factor independently associated with the pure diffusion coefficient (β = -0.4, P = .002, R 2 = 0.22). Inflammation and ALT level were not associated with the viscoelastic or diffusion parameters. The diagnostic accuracy of fibrosis staging was significantly higher when measuring the shear modulus rather than the apparent diffusion coefficient (Obuchowski measures, 0.82 ± 0.04 vs 0.30 ± 0.06; P < .001). Conclusion Fibrosis is independently associated with the MR viscoelastic parameters and is less associated with the diffusion parameters than is steatosis. These results and those of diagnostic accuracy suggest that MR elastography should be preferred over diffusion-weighted MR imaging in the staging of liver fibrosis. © RSNA, 2016.

[Nitrogen status diagnosis of rice by using a digital camera].

PubMed

Jia, Liang-Liang; Fan, Ming-Sheng; Zhang, Fu-Suo; Chen, Xin-Ping; Lü, Shi-Hua; Sun, Yan-Ming

2009-08-01

In the present research, a field experiment with different N application rate was conducted to study the possibility of using visible band color analysis methods to monitor the N status of rice canopy. The Correlations of visible spectrum band color intensity between rice canopy image acquired from a digital camera and conventional nitrogen status diagnosis parameters of leaf SPAD chlorophyll meter readings, total N content, upland biomass and N uptake were studied. The results showed that the red color intensity (R), green color intensity (G) and normalized redness intensity (NRI) have significant inverse linear correlations with the conventional N diagnosis parameters of SPAD readings, total N content, upland biomass and total N uptake. The correlation coefficient values (r) were from -0.561 to -0.714 for red band (R), from -0.452 to -0.505 for green band (G), and from -0.541 to 0.817 for normalized redness intensity (NRI). But the normalized greenness intensity (NGI) showed a significant positive correlation with conventional N parameters and the correlation coefficient values (r) were from 0.505 to 0.559. Compared with SPAD readings, the normalized redness intensity (NRI), with a high r value of 0.541-0.780 with conventional N parameters, could better express the N status of rice. The digital image color analysis method showed the potential of being used in rice N status diagnosis in the future.

ROY Revisited, Again: The Eighth Solved Structure

DOE PAGES

Tan, Melissa; Shtukenberg, Alexander G.; Zhu, Shengcai; ...

2018-01-01

X-ray powder diffraction and crystal structure prediction (CSP) algorithms were used in synergy to establish the crystal structure of the eighth polymorph of 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (ROY), form R05. R05 crystallizes in the monoclinic space group P2_1 with lattice parameters a = 11.479(4) Å, b = 11.030(1) Å, c = 10.840(6) Å, β = 118.23(1)°. This is both the first acentric ROY polymorph, and the first with Z' > 1. The torsion angles defined by the S-C-N-C atom sequence of each molecule in the asymmetric unit are -34.0° and 44.9°. These angles fall between those previously determined for the red and orangemore » forms of ROY. Hirshfeld surface analysis was employed to understand the crystal packing and intermolecular interactions in R05 and an updated energy stability ranking was determined using computational methods. Finally, although the application of CSP was critical to the structure solution of R05, energy stability rankings determined using a series of DFT vdW-inclusive models substantially deviate from experiment, indicating that ROY polymorphism continues to be a challenge for CSP.« less

ROY Revisited, Again: The Eighth Solved Structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Melissa; Shtukenberg, Alexander G.; Zhu, Shengcai

X-ray powder diffraction and crystal structure prediction (CSP) algorithms were used in synergy to establish the crystal structure of the eighth polymorph of 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (ROY), form R05. R05 crystallizes in the monoclinic space group P2_1 with lattice parameters a = 11.479(4) Å, b = 11.030(1) Å, c = 10.840(6) Å, β = 118.23(1)°. This is both the first acentric ROY polymorph, and the first with Z' > 1. The torsion angles defined by the S-C-N-C atom sequence of each molecule in the asymmetric unit are -34.0° and 44.9°. These angles fall between those previously determined for the red and orangemore » forms of ROY. Hirshfeld surface analysis was employed to understand the crystal packing and intermolecular interactions in R05 and an updated energy stability ranking was determined using computational methods. Finally, although the application of CSP was critical to the structure solution of R05, energy stability rankings determined using a series of DFT vdW-inclusive models substantially deviate from experiment, indicating that ROY polymorphism continues to be a challenge for CSP.« less

An evaluation of the relative quality of dike pools for benthic macroinvertebrates in the Lower Missouri River, USA

USGS Publications Warehouse

Poulton, B.C.; Allert, A.L.

2012-01-01

A habitat-based aquatic macroinvertebrate study was initiated in the Lower Missouri River to evaluate relative quality and biological condition of dike pool habitats. Water-quality and sediment-quality parameters and macroinvertebrate assemblage structure were measured from depositional substrates at 18 sites. Sediment porewater was analysed for ammonia, sulphide, pH and oxidation-reduction potential. Whole sediments were analysed for particle-size distribution, organic carbon and contaminants. Field water-quality parameters were measured at subsurface and at the sediment-water interface. Pool area adjacent and downstream from each dike was estimated from aerial photography. Macroinvertebrate biotic condition scores were determined by integrating the following indicator response metrics: % of Ephemeroptera (mayflies), % of Oligochaeta worms, Shannon Diversity Index and total taxa richness. Regression models were developed for predicting macroinvertebrate scores based on individual water-quality and sediment-quality variables and a water/sediment-quality score that integrated all variables. Macroinvertebrate scores generated significant determination coefficients with dike pool area (R2=0.56), oxidation–reduction potential (R2=0.81) and water/sediment-quality score (R2=0.71). Dissolved oxygen saturation, oxidation-reduction potential and total ammonia in sediment porewater were most important in explaining variation in macroinvertebrate scores. The best two-variable regression models included dike pool size + the water/sediment-quality score (R2=0.84) and dike pool size + oxidation-reduction potential (R2=0.93). Results indicate that dike pool size and chemistry of sediments and overlying water can be used to evaluate dike pool quality and identify environmental conditions necessary for optimizing diversity and productivity of important aquatic macroinvertebrates. A combination of these variables could be utilized for measuring the success of habitat enhancement activities currently being implemented in this system.

Crystal Structure of Chabazite K

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yakubovich, O.V.; Gavrilenko, P.G.; Pekov, I.V.

2005-07-15

The crystal structure of the chabazite K with the formula (K{sub 1.33}Na{sub 1.02}Ca{sub 0.84})[Al{sub 4}Si{sub 8}O{sub 24}] {center_dot} 12.17H{sub 2}O from late hydrothermalites in the Khibiny alkaline massif (Kola Peninsula) is established by X-ray diffraction analysis (CAD4 four-circle diffractometer, {lambda}MoK{sub {alpha}} radiation, graphite monochromator, T = 193 K, 2{theta}{sub max} = 70 deg., R{sub 1} = 0.047 for 4745 reflections) on the basis of experimental data (6265 reflections) obtained from a twin (twinning parameter 0.535(1)): a = 13.831(3) A, c = 15.023(5) A, sp. gr. R3-barm, Z = 3, {rho}{sub calcd} = 2.016 g/cm{sup 3} . It is shown thatmore » cations occupy five independent positions in large cavities of the tetrahedral Al,Si,O anionic framework in potassium-rich chabazite. A comparative crystallochemical analysis of chabazites of different composition and origin is performed.« less

Investigation of uncertainty in CO 2 reservoir models: A sensitivity analysis of relative permeability parameter values

DOE PAGES

Yoshida, Nozomu; Levine, Jonathan S.; Stauffer, Philip H.

2016-03-22

Numerical reservoir models of CO 2 injection in saline formations rely on parameterization of laboratory-measured pore-scale processes. Here, we have performed a parameter sensitivity study and Monte Carlo simulations to determine the normalized change in total CO 2 injected using the finite element heat and mass-transfer code (FEHM) numerical reservoir simulator. Experimentally measured relative permeability parameter values were used to generate distribution functions for parameter sampling. The parameter sensitivity study analyzed five different levels for each of the relative permeability model parameters. All but one of the parameters changed the CO 2 injectivity by <10%, less than the geostatistical uncertainty that applies to all large subsurface systems due to natural geophysical variability and inherently small sample sizes. The exception was the end-point CO 2 relative permeability, kmore » $$0\\atop{r}$$ CO2, the maximum attainable effective CO 2 permeability during CO 2 invasion, which changed CO2 injectivity by as much as 80%. Similarly, Monte Carlo simulation using 1000 realizations of relative permeability parameters showed no relationship between CO 2 injectivity and any of the parameters but k$$0\\atop{r}$$ CO2, which had a very strong (R 2 = 0.9685) power law relationship with total CO 2 injected. Model sensitivity to k$$0\\atop{r}$$ CO2 points to the importance of accurate core flood and wettability measurements.« less

Investigation of uncertainty in CO 2 reservoir models: A sensitivity analysis of relative permeability parameter values

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoshida, Nozomu; Levine, Jonathan S.; Stauffer, Philip H.

Numerical reservoir models of CO 2 injection in saline formations rely on parameterization of laboratory-measured pore-scale processes. Here, we have performed a parameter sensitivity study and Monte Carlo simulations to determine the normalized change in total CO 2 injected using the finite element heat and mass-transfer code (FEHM) numerical reservoir simulator. Experimentally measured relative permeability parameter values were used to generate distribution functions for parameter sampling. The parameter sensitivity study analyzed five different levels for each of the relative permeability model parameters. All but one of the parameters changed the CO 2 injectivity by <10%, less than the geostatistical uncertainty that applies to all large subsurface systems due to natural geophysical variability and inherently small sample sizes. The exception was the end-point CO 2 relative permeability, kmore » $$0\\atop{r}$$ CO2, the maximum attainable effective CO 2 permeability during CO 2 invasion, which changed CO2 injectivity by as much as 80%. Similarly, Monte Carlo simulation using 1000 realizations of relative permeability parameters showed no relationship between CO 2 injectivity and any of the parameters but k$$0\\atop{r}$$ CO2, which had a very strong (R 2 = 0.9685) power law relationship with total CO 2 injected. Model sensitivity to k$$0\\atop{r}$$ CO2 points to the importance of accurate core flood and wettability measurements.« less

Impact of age and sex on normal left heart structure and function.

PubMed

Hagström, Linn; Henein, Michael Y; Karp, Kjell; Waldenström, Anders; Lindqvist, Per

2017-11-01

Accurate age- and sex-related normal reference values of ventricular structure and function are important to determine the level of dysfunction in patients. The aim of this study therefore was to document normal age range sex-related measurements of LV structural and functional measurements to serve such purpose. We evaluated left ventricular structure and function in 293 healthy subjects between 20 and 90 years with equally distributed gender. Doppler echocardiography was used including measure of both systolic and diastolic functions. Due to systolic LV function, only long axis function correlated with age (r = 0·55, P<0·01) and the correlation was stronger in females. Concerning diastolic function, there was a strong age correlation in all parameters used (r = 0·40-0·74, P<0·001). Due to LV structural changes over age, females showed a larger reduction in end-diastolic volumes, but no or trivial difference in wall thickness after the age of 60 years. Age is associated with significant normal changes in left ventricular structure and function, which should be considered when deciding on normality. These changes are related to systemic arterial changes as well as body stature, thus reflecting overall body ageing process. Furthermore, normal cardiac ageing in females might partly explain the higher prevalence of heart failure with preserved ejection in females. © 2016 Scandinavian Society of Clinical Physiology and Nuclear Medicine. Published by John Wiley & Sons Ltd.

Predictive Models of Primary Tropical Forest Structure from Geomorphometric Variables Based on SRTM in the Tapajós Region, Brazilian Amazon

PubMed Central

Bispo, Polyanna da Conceição; dos Santos, João Roberto; Valeriano, Márcio de Morisson; Graça, Paulo Maurício Lima de Alencastro; Balzter, Heiko; França, Helena; Bispo, Pitágoras da Conceição

2016-01-01

Surveying primary tropical forest over large regions is challenging. Indirect methods of relating terrain information or other external spatial datasets to forest biophysical parameters can provide forest structural maps at large scales but the inherent uncertainties need to be evaluated fully. The goal of the present study was to evaluate relief characteristics, measured through geomorphometric variables, as predictors of forest structural characteristics such as average tree basal area (BA) and height (H) and average percentage canopy openness (CO). Our hypothesis is that geomorphometric variables are good predictors of the structure of primary tropical forest, even in areas, with low altitude variation. The study was performed at the Tapajós National Forest, located in the Western State of Pará, Brazil. Forty-three plots were sampled. Predictive models for BA, H and CO were parameterized based on geomorphometric variables using multiple linear regression. Validation of the models with nine independent sample plots revealed a Root Mean Square Error (RMSE) of 3.73 m2/ha (20%) for BA, 1.70 m (12%) for H, and 1.78% (21%) for CO. The coefficient of determination between observed and predicted values were r2 = 0.32 for CO, r2 = 0.26 for H and r2 = 0.52 for BA. The models obtained were able to adequately estimate BA and CO. In summary, it can be concluded that relief variables are good predictors of vegetation structure and enable the creation of forest structure maps in primary tropical rainforest with an acceptable uncertainty. PMID:27089013

Predictive Models of Primary Tropical Forest Structure from Geomorphometric Variables Based on SRTM in the Tapajós Region, Brazilian Amazon.

PubMed

Bispo, Polyanna da Conceição; Dos Santos, João Roberto; Valeriano, Márcio de Morisson; Graça, Paulo Maurício Lima de Alencastro; Balzter, Heiko; França, Helena; Bispo, Pitágoras da Conceição

2016-01-01

Surveying primary tropical forest over large regions is challenging. Indirect methods of relating terrain information or other external spatial datasets to forest biophysical parameters can provide forest structural maps at large scales but the inherent uncertainties need to be evaluated fully. The goal of the present study was to evaluate relief characteristics, measured through geomorphometric variables, as predictors of forest structural characteristics such as average tree basal area (BA) and height (H) and average percentage canopy openness (CO). Our hypothesis is that geomorphometric variables are good predictors of the structure of primary tropical forest, even in areas, with low altitude variation. The study was performed at the Tapajós National Forest, located in the Western State of Pará, Brazil. Forty-three plots were sampled. Predictive models for BA, H and CO were parameterized based on geomorphometric variables using multiple linear regression. Validation of the models with nine independent sample plots revealed a Root Mean Square Error (RMSE) of 3.73 m2/ha (20%) for BA, 1.70 m (12%) for H, and 1.78% (21%) for CO. The coefficient of determination between observed and predicted values were r2 = 0.32 for CO, r2 = 0.26 for H and r2 = 0.52 for BA. The models obtained were able to adequately estimate BA and CO. In summary, it can be concluded that relief variables are good predictors of vegetation structure and enable the creation of forest structure maps in primary tropical rainforest with an acceptable uncertainty.

Homologous compounds of type ARO3(ZnO)m in the system Ga-Sn-Zn-O

NASA Astrophysics Data System (ADS)

Eichhorn, Simon; Schmid, Herbert; Assenmacher, Wilfried; Mader, Werner

2017-02-01

Several members of hitherto unknown homologous compounds [Sn0.5Zn0.5]GaO3(ZnO)m (m=3-7) of the general formula ARO3(ZnO)m were prepared by solid state methods from the binary oxides in sealed Pt-tubes. UV-vis measurements confirm these compounds to be transparent oxides with an optical band gap in the UV region with Eg≈3 eV. Rietveld refinements on powder samples of [Sn0.5Zn0.5]GaO3(ZnO)m proved the compounds to be isostructural with InGaO3(ZnO)m, where In3+ on octahedral sites is replaced statistically by Sn4+ and Zn2+ in equal amounts preserving an average charge of 3+. Additionally, the structure of [Sn0.5Zn0.5]GaO3(ZnO)3 has been determined from flux-grown single crystals by X-ray diffraction (R 3 ̅ m , Z=3, a=3.2387(7) Å, c=41.78(1) Å, 19 parameters, 201 independent reflections, R1=0.047, wR2=0.074). The compound [Sn0.5Zn0.5]GaO3(ZnO)3 is isostructural with InGaO3(ZnO)3. [Sn0.5Zn0.5]GaO3(ZnO)3 was furthermore analyzed by High Angle Annular Dark Field (HAADF) scanning TEM and EELS spectroscopic imaging, supporting the structure model derived from X-ray diffraction data.

Tetragonal-antiprismatic coordination of transition metals in intermetallic compounds: ω1-Mn6Ga29 and its structuralrelationships

NASA Astrophysics Data System (ADS)

Antonyshyn, Iryna; Prots, Yurii; Margiolaki, Irene; Schmidt, Marcus Peter; Zhak, Olga; Oryshchyn, Stepan; Grin, Yuri

2013-03-01

The new phase ω1-Mn6Ga29 was synthesised in single-crystal form from the elements applying the high-temperature centrifugation-aided filtration technique. The crystal structure was determined using diffraction data collected from a twinned specimen: a new prototype, space group P1¯; a=6.3114(2) Å, b=9.9557(3) Å, c=18.920(1) Å, α=90.473(1)°, β=90.847(1)°, γ=90.396(1)°; R1=0.047, wR2=0.117 for 317 variable parameters and 7346 observed reflections; twinning matrix 0 0 -1/3, 0 -1 0, -3 0 0; twin domains ratio 0.830(3):0.170. All manganese atoms in the crystal structure of ω1-Mn6Ga29 are coordinated exclusively by Ga forming distorted tetragonal antiprisms. The monocapped [MnGa8+1] antiprisms condense into pairs by sharing their pseudo-quadratic faces and are interconnected via common apexes and edges to form a 3D framework. The relationship between the crystal structures of ω1-Mn6Ga29 and CuAl2, α-, β-CoSn3, PtSn4, Ti4MnBi2, PdGa5, Rh3Ga16, Rh4Ga21, Al7FeCu2, Co2Al9, and RhBi4 is discussed.

Blood coagulation, fibrinolytic activity and lipid profile in subclinical thyroid disease: subclinical hyperthyroidism increases plasma factor X activity.

PubMed

Erem, Cihangir

2006-03-01

Various abnormalities of coagulation and fibrinolysis occur in patients with thyroid diseases, and may range from subclinical laboratory abnormalities to clinically significant disorders of coagulation and, rarely, major haemorrhage or thromboembolism. The influence of subclinical hypothyroidism (SHypo) on haemostasis is controversial, both hypercoagulable and hypocoagulable states have been reported. A hypercoagulable state might be a risk factor for thromboembolic disease in SHypo. On the other hand, subclinical hyperthyroidism (SCHyper) is associated with enhanced cardiovascular risk. In the English literature, there are no studies on changes in coagulation and fibriolytic status in subjects with SCHyper. Therefore, the aim of the present study was to investigate the markers of endogenous coagulation and fibrinolysis, and to evaluate the relationships between serum lipid profile and thyroid hormones and these haemostatic parameters in subclinical thyroid patients. Various haemostatic parameters were investigated in 30 patients with SHypo and 20 patients with SCHyper and compared to 20 euthyroid controls. Prothrombin time (PT), activated partial thromboplastin time (aPTT), fibrinogen, factors V, VII, VIII, IX and X activities, vWF, antithrombin III (AT III), protein C, protein S, tissue plasminogen activator (t-PA) and tissue plasminogen activator inhibitor-1 (PAI-1), as well as common lipid variables, were measured. The relationships between serum thyroid hormones and these haemostatic parameters were examined. Compared with the control subjects, only FX activity was significantly increased in patients with SCHyper (P < 0.01). Total cholesterol (TC) and low-density lipoprotein cholesterol (LDL-C) levels were significantly higher in patients with SHypo compared with the control group (P < 0.001 and P < 0.01, respectively). TC levels were significantly higher in patients with SCHyper than in controls (P < 0.05). No differences could be found in coagulation/fibrinolysis parameters between subclinical hypothyroid patients and control subjects. In patients with SCHyper, serum TSH level was positively correlated with FX activity (r: 0.58, P < 0.01) and inversely correlated with PAI-1 (r: -0.55. P < 0.05). Serum TG levels were inversely correlated with plasma activities of factors V, VII, VIII, IX, X and vWF (r: -0.83, P < 0.001; r: -0.68, P < 0.05; r: -0.61, P < 0.05; r: -0.77, P < 0.01; r: -0.63, P < 0.05; r: -0.60, P < 0.05, respectively). Serum TC levels were positively correlated with plasma fibrinogen levels (r: 0.72, P < 0.05). Serum HDL-C levels were positively correlated with protein S activity (r: 0.68, P < 0.05) and negatively correlated with F VII activity (r: -0.69, P < 0.05). Also, in patients with SHypo, serum TG levels were positively correlated with serum TSH levels (r: 0.42, P < 0.05), plasma activities of factors V, VII and X (r: 0.42, P < 0.05; r: 0.54, P < 0.01; r: 0.57, P < 0.01, respectively) and negatively correlated with plasma fibrinogen levels (r: -0.41, P < 0.05). Serum TC levels were positively correlated with factors V and X (r: 0.42, P < 0.05; r: 0.58, P < 0.01, respectively) and negatively correlated with t-PA Ag levels (r: -0.44, P < 0.05). Serum HDL-C levels were inversely correlated with F VII activity (r: -0.48, P < 0.05). Some differences were found in the haemostatic parameters and lipid profile between the subclinical thyroid patients and healthy controls. Increased factor X activity in patients with subclinical hyperthyroidism represent a potential hypercoagulable state, which might augment the already existing risk for atheroscleroic complications. Also, subclinical hypothyroid patients exhibit a more atherogenic lipid profile compared with healthy individuals. Therefore, subclinical hypothyroidism is also associated with an increased risk of cardiovascular disease. However, thyroid hormones may play a role at different levels of the complex haemostatic system in subclinical thyroid disease.

Determination of the Michel parameters and the {tau} neutrino helicity in {tau} decay

DOE Office of Scientific and Technical Information (OSTI.GOV)

CLEO Collaboration

1997-11-01

Using the CLEO II detector at the Cornell Electron Storage Ring operated at {radical} (s) =10.6GeV, we have determined the Michel parameters {rho}, {xi}, and {delta} in {tau}{sup {minus_plus}}{r_arrow}l{sup {minus_plus}}{nu}{bar {nu}} decay as well as the {tau} neutrino helicity parameter h{sub {nu}{sub {tau}}} in {tau}{sup {minus_plus}}{r_arrow}{pi}{sup {minus_plus}}{pi}{sup 0}{nu} decay. From a data sample of 3.02{times}10{sup 6} produced {tau} pairs we analyzed events of the topologies e{sup +}e{sup {minus}}{r_arrow}{tau}{sup +}{tau}{sup {minus}}{r_arrow}(l{sup {plus_minus}}{nu}{bar {nu}})({pi}{sup {minus_plus}}{pi}{sup 0}{nu}) and e{sup +}e{sup {minus}}{r_arrow}{tau}{sup +}{tau}{sup {minus}}{r_arrow}({pi}{sup {plus_minus}}{pi}{sup 0}{bar {nu}})({pi}{sup {minus_plus}}{pi}{sup 0}{nu}). We obtain {rho}=0.747{rho}=0.747{plus_minus}0.010{plus_minus}0.006, {xi}=1.007{plus_minus}0.040{plus_minus}0.015, {xi}{delta}=0.745{plus_minus}0.026{plus_minus}0.009, and h{sub {nu}{sub {tau}}}={minus}0.995{plus_minus}0.010{plus_minus}0.003, where we have used the previouslymore » determined sign of h{sub {nu}{sub {tau}}} [ARGUS Collaboration, H. Albrecht {ital et al.}, Z. Phys. C {bold 58}, 61 (1993); Phys. Lett. B {bold 349}, 576 (1995)]. We also present the Michel parameters as determined from the electron and muon samples separately. All results are in agreement with the standard model V{minus}A interaction. {copyright} {ital 1997} {ital The American Physical Society}« less

Influence of Ca2+ doped on structural and optical properties of RPO4 (R = Ce3+, Nd3+ and Pr3+) compounds

NASA Astrophysics Data System (ADS)

Lemdek, El Mokhtar; Benkhouja, Khalil; Touhtouh, Samira; Sbiaai, Khalid; Arbaoui, Abdezzahid; Bakasse, Mina; Hajjaji, Abdelowahed; Boughaleb, Yahia; Saez-Puche, Regino

2013-11-01

This paper investigates the effect of doping by Ca2+ ions on the structural and optical properties of RPO4 (R = Ce3+, Nd3+ and Pr3+) compounds. A simple ceramic method in air at 900 °C was used to prepare all compounds. The structural characterization of compounds was carried out by using X-ray powder diffraction (XRD) and IR spectroscopy. Optical properties were characterized by reflectance spectral data and by colorimeter. The results reveal a single monazite phase for x values up to 0.4. The lattice parameters of the synthesized samples decrease linearly with the reduction of ionic radius of the Ce3+. These rare earth phosphates based materials have a potential to be adopted for the eco-friendly colorants for paints and plastics.

[Genetic demographic study of Shors in Tashtagolskiĭ district of the Kemerovo region: changes in the marriage migration structure].

PubMed

Ul'ianova, M V; Kucher, A N; Lavriashina, M B

2011-01-01

The changes in the marriage structure with respect to the age at marriage, ethnicity, and spouses' birthplaces during the period of time corresponding to two generations have been analyzed in the rural population of Shors of Tashtagolskii raion of Kemerovo oblast. In general, the Shor population had a high assortative marriage rate with respect to these parameters in the period studied, although there was a temporary tendency towards its decrease. The ages of marriage for both the male and the female Shor populations in the years 2000-2005 were significantly older than in 1940-1945 and 1970-1975. The age-assortative marriage rate was r = = 0.60 in 1940-1945, r = 0.73 in 1970-1975, and r = 0.66 in 2000-2005. The birthplace-assortative marriage rate decreased from 79.63% in 1970-1975 to 70.64% in 2000-2005. The ethnic assortative marriage rate of Shors steadily decreased during the time interval studied; it was 96.92, 89.95, and 80.98% in 1940-1945, 1970-1975, and 2000-2005, respectively, for the total rural population of Tashtagolskii raion.

[The correlations of somatic, dermatoglyphic and psychological characteristics in the structure of general human constitution from the standpoint of systemic approach].

PubMed

Negasheva, M A

2008-01-01

669 young men and women aged 16-23 years were examined using a program including the measurements of 40 body, head and face parameters, fingerprinting and determination of personal psychological characteristics. On the basis of the study of the correlations between the different groups of characteristics, the evidence was obtained that supports the concept of a relative autonomy of the morpho-functional systems as an essential condition for the integrity of the organism as a whole. The coefficients of canonical correlation were calculated between the somatic and dermatoglyphic features (R=0.3), somatic sizes and psychological personality characteristics (R=0.4), psychological characteristics and the dermatoglyphic indices (R=0.4). An original model is suggested that describes the correlations of somatic, dermatoglyphic and psychological features in the structure of general human constitution on the basis of statistically significant canonical correlations (revealed by the author) and that takes in consideration the degree of the influence of genetic and social-economic complex of factors (on the basis of the literature data) on the development and formation of the investigated systems of characteristics.

Pattern recognition in the ALFALFA.70 and Sloan Digital Sky Surveys: a catalogue of ˜500 000 H I gas fraction estimates based on artificial neural networks

NASA Astrophysics Data System (ADS)

Teimoorinia, Hossen; Ellison, Sara L.; Patton, David R.

2017-02-01

The application of artificial neural networks (ANNs) for the estimation of H I gas mass fraction (M_{H I}/{{M}_{*}}) is investigated, based on a sample of 13 674 galaxies in the Sloan Digital Sky Survey (SDSS) with H I detections or upper limits from the Arecibo Legacy Fast Arecibo L-band Feed Array (ALFALFA). We show that, for an example set of fixed input parameters (g - r colour and I-band surface brightness), a multidimensional quadratic model yields M_{H I}/{{M}_{*}} scaling relations with a smaller scatter (0.22 dex) than traditional linear fits (0.32 dex), demonstrating that non-linear methods can lead to an improved performance over traditional approaches. A more extensive ANN analysis is performed using 15 galaxy parameters that capture variation in stellar mass, internal structure, environment and star formation. Of the 15 parameters investigated, we find that g - r colour, followed by stellar mass surface density, bulge fraction and specific star formation rate have the best connection with M_{H I}/{{M}_{*}}. By combining two control parameters, that indicate how well a given galaxy in SDSS is represented by the ALFALFA training set (PR) and the scatter in the training procedure (σfit), we develop a strategy for quantifying which SDSS galaxies our ANN can be adequately applied to, and the associated errors in the M_{H I}/{{M}_{*}} estimation. In contrast to previous works, our M_{H I}/{{M}_{*}} estimation has no systematic trend with galactic parameters such as M⋆, g - r and star formation rate. We present a catalogue of M_{H I}/{{M}_{*}} estimates for more than half a million galaxies in the SDSS, of which ˜150 000 galaxies have a secure selection parameter with average scatter in the M_{H I}/{{M}_{*}} estimation of 0.22 dex.

Monopole antenna in quantitative near-field microwave microscopy of planar structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reznik, Alexander N.; Korolyov, Sergey A.

We have developed an analytical model of a near-field microwave microscope based on a coaxial resonator with a sharpened tip probe. The probe interacts with a layered sample that features an arbitrary depth distribution of permittivity. The microscopic tip end with the accumulated charge is regarded as a monopole antenna radiating an electric field in near zone. The impedance of such an antenna is determined within a quasi-static approximation. The proposed model is used for calculating the sample-sensitive parameters of the microscope, specifically, resonance frequency f{sub 0} and quality factor Q{sub 0}, as a function of probe-sample distance h. Themore » theory has been verified experimentally in studies of semiconductor structures, both bulk and thin films. For measurements, we built a ∼2.1 GHz microscope with an effective tip radius of about 100 μm. The theoretical and experimental dependences f{sub 0}(h) and Q{sub 0}(h) were found to be in a good agreement. The developed theory underlies the method for determining sheet resistance R{sub sh} of a semiconductor film on a dielectric substrate proposed in this article. Studies were performed on doped n-GaN films on an Al{sub 2}O{sub 3} substrate. The effective radius and height of the probe determined from calibration measurements of etalon samples were used as the model fitting parameters. For etalon samples, we employed homogeneous sapphire and doped silicon plates. We also performed four-probe dc measurements of R{sub sh}. The corresponding values for samples with R{sub sh} > 1 kΩ were found to be 50% to 100% higher than the microwave results, which are attributed to the presence of microdefects in semiconductor films.« less

A preliminary MTD-PLS study for androgen receptor binding of steroid compounds

NASA Astrophysics Data System (ADS)

Bora, Alina; Seclaman, E.; Kurunczi, L.; Funar-Timofei, Simona

The relative binding affinities (RBA) of a series of 30 steroids for Human Androgen Receptor (AR) were used to initiate a MTD-PLS study. The 3D structures of all the compounds were obtained through geometry optimization in the framework of AM1 semiempirical quantum chemical method. The MTD hypermolecule (HM) was constructed, superposing these structures on the AR-bonded dihydrotestosterone (DHT) skeleton obtained from PDB (AR complex, ID 1I37). The parameters characterizing the HM vertices were collected using: AM1 charges, XlogP fragmental values, calculated fragmental polarizabilities (from refractivities), volumes, and H-bond parameters (Raevsky's thermodynamic originated scale). The resulted QSAR data matrix was submitted to PCA (Principal Component Analysis) and PLS (Projections in Latent Structures) procedure (SIMCA P 9.0); five compounds were selected as test set, and the remaining 25 molecules were used as training set. In the PLS procedure supplementary chemical information was introduced, i.e. the steric effect was always considered detrimental, and the hydrophobic and van der Waals interactions were imposed to be beneficial. The initial PLS model using the entire training set has the following characteristics: R2Y = 0.584, Q2 = 0.344. Based on distances to the model criterions (DMODX and DMODY), five compounds were eliminated and the obtained final model had the following characteristics: R2Y D 0.891, Q2 D 0.591. For this the external predictivity on the test set was unsatisfactory. A tentative explanation for these behaviors is the weak information content of the input QSAR matrix for the present series comparatively with other successful MTD-PLS modeling published elsewhere.

Correlation between Macular Thickness and Visual Field in Early Open Angle Glaucoma: A Cross-Sectional Study.

PubMed

Fallahi Motlagh, Behzad; Sadeghi, Ali

2017-01-01

The aim of this study was to correlate macular thickness and visual field parameters in early glaucoma. A total of 104 eyes affected with early glaucoma were examined in a cross-sectional, prospective study. Visual field testing using both standard automated perimetry (SAP) and shortwave automated perimetry (SWAP) was performed. Global visual field parameters, including mean deviation (MD) and pattern standard deviation (PSD), were recorded and correlated with spectral domain optical coherence tomography (SD-OCT)-measured macular thickness and asymmetry. Average macular thickness correlated significantly with all measures of visual field including MD-SWAP (r = 0.42), MD-SAP (r = 0.41), PSD-SWAP (r = -0.23), and PSD-SAP (r = -0.21), with P-values <0.001 for all correlations. The mean MD scores (using both SWAP and SAP) were significantly higher in the eyes with thin than in those with intermediate average macular thickness. Intraeye (superior macula thickness - inferior macula thickness) asymmetries correlated significantly with both PSD-SWAP (r = 0.63, P < 0.001) and PSD-SAP (r = 0.26, P = 0.01) scores. This study revealed a significant correlation between macular thickness and visual field parameters in early glaucoma. The results of this study should make macular thickness measurements even more meaningful to glaucoma specialists.

Quantitative structure activity relationship studies of sulfamide derivatives as carbonic anhydrase inhibitor: as antiglaucoma agents.

PubMed

Kumar, Surendra; Singh, Vineet; Tiwari, Meena

2007-07-01

Selective inhibition of ciliary process enzyme i.e. Carbonic Anhydrase-II is an excellent approach in reducing elevated intraocular pressure, thus treating glaucoma. Due to characteristic physicochemical properties of sulphonamide (Inhibition of Carbonic Anhydrase), they are clinically effective against glaucoma. But the non-specificity of sulphonamide derivatives to isozyme, leads to a range of side effects. Presently, the absence of comparative studies related to the binding of the sulphonamides as inhibitors to CA isozymes limits their use. In this paper we have represented "Three Dimensional Quantitative Structure Activity Relationship" study to characterize structural features of Sulfamide derivative [RR'NSO(2)NH(2)] as inhibitors, that are required for selective binding of carbonic anhydrase isozymes (CAI and CAII). In the analysis, stepwise multiple linear regression was performed using physiochemical parameters as independent variable and CA-I and CA-II inhibitory activity as dependent variable, respectively. The best multiparametric QSAR model obtained for CA-I inhibitory activity shows good statistical significance (r= 0.9714) and predictability (Q(2)=0.8921), involving the Electronic descriptors viz. Highest Occupied Molecular Orbital, Lowest Unoccupied Molecular Orbital and Steric descriptors viz. Principal moment of Inertia at X axis. Similarly, CA-II inhibitory activity also shows good statistical significance (r=0.9644) and predictability (Q(2)=0.8699) involving aforementioned descriptors. The predictive power of the model was successfully tested externally using a set of six compounds as test set for CA-I inhibitory activity and a set of seven compounds in case of CA-II inhibitory activity with good predictive squared correlation coefficient, r(2)(pred)=0.6016 and 0.7662, respectively. Overview of analysis favours substituents with high electronegativity and less bulk at R and R' positions of the parent nucleus, provides a basis to design new Sulfamide derivatives possessing potent and selective carbonic anhydrase-II inhibitory activity.

Depleted cores, multicomponent fits, and structural parameter relations for luminous early-type galaxies

NASA Astrophysics Data System (ADS)

Dullo, Bililign T.; Graham, Alister W.

2014-11-01

New surface brightness profiles from 26 early-type galaxies with suspected partially depleted cores have been extracted from the full radial extent of Hubble Space Telescope images. We have carefully quantified the radial stellar distributions of the elliptical galaxies using the core-Sérsic model whereas for the lenticular galaxies a core-Sérsic bulge plus an exponential disc model gives the best representation. We additionally caution about the use of excessive multiple Sérsic functions for decomposing galaxies and compare with past fits in the literature. The structural parameters obtained from our fitted models are, in general, in good agreement with our initial study using radially limited (R ≲ 10 arcsec) profiles, and are used here to update several `central' as well as `global' galaxy scaling relations. We find near-linear relations between the break radius Rb and the spheroid luminosity L such that Rb ∝ L1.13±0.13, and with the supermassive black hole mass MBH such that R_b∝ M_BH^{0.83 ± 0.21}. This is internally consistent with the notion that major, dry mergers add the stellar and black hole mass in equal proportion, i.e. MBH ∝ L. In addition, we observe a linear relation R_b∝ R_e^{0.98 ± 0.15} for the core-Sérsic elliptical galaxies - where Re is the galaxies' effective half-light radii - which is collectively consistent with the approximately linear, bright-end of the curved L-Re relation. Finally, we measure accurate stellar mass deficits Mdef that are in general 0.5-4 MBH, and we identify two galaxies (NGC 1399, NGC 5061) that, due to their high Mdef/MBH ratio, may have experienced oscillatory core-passage by a (gravitational radiation)-kicked black hole. The galaxy scaling relations and stellar mass deficits favour core-Sérsic galaxy formation through a few `dry' major merger events involving supermassive black holes such that M_def ∝ M_BH^{3.70 ± 0.76}, for MBH ≳ 2 × 108 M⊙.

The electronic structure of RbTiOPO4 and the effects of the A-site cation substitution in KTiOPO4-family crystals

NASA Astrophysics Data System (ADS)

Atuchin, V. V.; Kesler, V. G.; Meng, Guangsi; Lin, Z. S.

2012-10-01

The electronic structure of RbTiOPO4 has been investigated with x-ray photoemission spectroscopy. Detailed photoemission spectra of the element core levels have been recorded under excitation by nonmonochromatic Al Kα radiation (1486.6 eV). The chemical bonding parameters are compared to those reported for complex titanates and phosphates. The band structures of KTiOPO4, RbTiOPO4, K0.535R0.465TiOPO4 and TlTiOPO4 have been calculated by ab initio methods and compared to available experimental results. It is found that the band structure of KTP-type phosphate crystals is weakly dependent on the nature of the A-site (A=K, Rb, Tl) element.

Structural phase transition of as-synthesized Sr-Mn nanoferrites by annealing temperature

NASA Astrophysics Data System (ADS)

Amer, M. A.; Meaz, T. M.; Attalah, S. S.; Ghoneim, A. I.

2015-11-01

The Sr0.2Mn0.8Fe2O4 nanoparticle ferrites were synthesized by the co-precipitation method and annealed at different temperatures T. XRD, TEM, FT-IR, VSM and Mössbauer techniques were used to characterize the samples. This study proved that the structural phase of nanoferrites was transformed from cubic spinel for T≤500 °C to Z-type hexagonal for T≥700 °C. The structural transformation was attributed to Jahn-Teller effect of the Mn3+ ions and/or atomic disorder existed in the crystal lattice. The obtained spectra and parameters for the samples were affected by the transformation process. The lattice constant a showed a splitting to a and c for T>500 °C. The lattice constant c, grain and crystallite size R, strain, octahedral B-site band position and force constant, Debye temperature, coercivity Hc, remnant magnetization, squareness and magnetic moment, spontaneous magnetization and hyperfine magnetic fields showed increase against T. The lattice constant a, distortion and dislocation parameters, specific surface area, tetrahedral A-site band position and force constant, threshold frequency, Young's and bulk moduli, saturation magnetization Ms, area ratio of B-/A-sites, A-site line width were decreased with T. Experimental and theoretical densities, porosity, Poison ratio, stiffness constants, rigidity modulus, B-site line width and spontaneous magnetization showed dependence on T, whereas Ms and Hc proved dependence on R.

Fine refinement of solid-state molecular structures of Leu- and Met-enkephalins by NMR crystallography.

PubMed

Pawlak, Tomasz; Potrzebowski, Marek J

2014-03-27

This paper presents a methodology that allows the fine refinement of the crystal and molecular structure for compounds for which the data deposited in the crystallographic bases are of poor quality. Such species belong to the group of samples with molecular disorder. In the Cambridge Crystallographic Data Center (CCDC), there are approximately 22,000 deposited structures with an R-factor over 10. The powerful methodology we present employs crystal data for Leu-enkephalin (two crystallographic forms) with R-factor values of 14.0 and 8.9 and for Met-enkephalin (one form) with an R-factor of 10.5. NMR crystallography was employed in testing the X-ray data and the quality of the structure refinement. The GIPAW (gauge invariant projector augmented wave) method was used to optimize the coordinates of the enkephalins and to compute NMR parameters. As we reveal, this complementary approach makes it possible to generate a reasonable set of new coordinates that better correlate to real samples. This methodology is general and can be employed in the study of each compound possessing magnetically active nuclei.

MECS-VINE®: A New Proximal Sensor for Segmented Mapping of Vigor and Yield Parameters on Vineyard Rows

PubMed Central

Gatti, Matteo; Dosso, Paolo; Maurino, Marco; Merli, Maria Clara; Bernizzoni, Fabio; José Pirez, Facundo; Platè, Bonfiglio; Bertuzzi, Gian Carlo; Poni, Stefano

2016-01-01

Ground-based proximal sensing of vineyard features is gaining interest due to its ability to serve in even quite small plots with the advantage of being conducted concurrently with normal vineyard practices (i.e., spraying, pruning or soil tilling) with no dependence upon weather conditions, external services or law-imposed limitations. The purpose of the present work was to test performance of the new terrestrial multi-sensor MECS-VINE® in terms of reliability and degree of correlation with several canopy growth and yield parameters in the grapevine. MECS-VINE®, once conveniently positioned in front of the tractor, can provide simultaneous assessment of growth features and microclimate of specific canopy sections of the two adjacent row sides. MECS-VINE® integrates a series of microclimate sensors (air relative humidity, air and surface temperature) with two (left and right) matrix-based optical RGB imaging sensors and a related algorithm, termed Canoyct). MECS-VINE® was run five times along the season in a mature cv. Barbera vineyard and a Canopy Index (CI, pure number varying from 0 to 1000), calculated through its built-in algorithm, validated vs. canopy structure parameters (i.e., leaf layer number, fractions of canopy gaps and interior leaves) derived from point quadrat analysis. Results showed that CI was highly correlated vs. any canopy parameter at any date, although the closest relationships were found for CI vs. fraction of canopy gaps (R2 = 0.97) and leaf layer number (R2 = 0.97) for data pooled over 24 test vines. While correlations against canopy light interception and total lateral leaf area were still unsatisfactory, a good correlation was found vs. cluster and berry weight (R2 = 0.76 and 0.71, respectively) suggesting a good potential also for yield estimates. Besides the quite satisfactory calibration provided, main improvements of MECS-VINE® usage versus other current equipment are: (i) MECS-VINE® delivers a segmented evaluation of the canopy up to 15 different sectors, therefore allowing to differentiate canopy structure and density at specific and crucial canopy segments (i.e., basal part where clusters are located) and (ii) the sensor is optimized to work at any time of the day with any weather condition without the need of any supplemental lighting system. PMID:27898049

[Topological models of retention index of thin-layer chromatogram for chiral organic acids].

PubMed

Li, Mingjian; Wang, Yuxiao; Feng, Hui; Feng, Changjun

2014-03-01

On the basis of Kier's molecular connectivity indices and conjugated matrix, novel molecular connectivity indices ((m) G(t)(v)) were defined and calculated for 18 chiral hydroxyl acids and amino acids. The chiral connectivity indices ((m)C(t)(v)) were introduced by extending (m)G(t)(v): (m)C(t)(v) = (m)G(t)(v) x w(j), where w(j) is the chiral index. The quantitative structure-retention index relationship (QSRR) between the retention index (R(M)) of thin-layer chromatogram for the chiral organic acids and (m)C(t)(v) was studied by multivariate statistical regression. By leaps-and-bounds regression analysis, the best four-parameter QSRR model was set up, and the traditional correlation coefficient (R2) and the cross-validation correlation coefficient (Q2) of leave-one-out (LOO) were 0.973 and 0.950, respectively. The results demonstrated that the model was highly reliable and had good predictive ability from the point of view of statistics. From the four parameters (0C(p)(v), 2C(p)(v), C(ch),(v), 5C(p)(v)) of the model, it is known that the dominant influence factors of the retention index were the molecular structure characteristics of two-dimensional and the space factors: the chiral characteristics, the flexibility and the puckered degree of molecules for the chiral organic acids. The results showed that the new parameter mC(t)(v) had good rationality and efficiency for the retention indices of the chiral organic acids. Therefore, an effective method was provided to predict the retention indices of the chiral organic acids.

Towards classification of the bifurcation structure of a spherical cavitation bubble.

PubMed

Behnia, Sohrab; Sojahrood, Amin Jafari; Soltanpoor, Wiria; Sarkhosh, Leila

2009-12-01

We focus on a single cavitation bubble driven by ultrasound, a system which is a specimen of forced nonlinear oscillators and is characterized by its extreme sensitivity to the initial conditions. The driven radial oscillations of the bubble are considered to be implicated by the principles of chaos physics and owing to specific ranges of control parameters, can be periodic or chaotic. Despite the growing number of investigations on its dynamics, there is not yet an inclusive yardstick to sort the dynamical behavior of the bubble into classes; also, the response oscillations are so complex that long term prediction on the behavior becomes difficult to accomplish. In this study, the nonlinear dynamics of a bubble oscillator was treated numerically and the simulations were proceeded with bifurcation diagrams. The calculated bifurcation diagrams were compared in an attempt to classify the bubble dynamic characteristics when varying the control parameters. The comparison reveals distinctive bifurcation patterns as a consequence of driving the systems with unequal ratios of R(0)lambda (where R(0) is the bubble initial radius and lambda is the wavelength of the driving ultrasonic wave). Results indicated that systems having the equal ratio of R(0)lambda, share remarkable similarities in their bifurcating behavior and can be classified under a unit category.

Rietveld refined structural and room temperature vibrational properties of BaTiO3 doped La0.67Ba0.33MnO3 composites

NASA Astrophysics Data System (ADS)

Dar, M. A.; Sheikh, M. W.; Malla, M. S.; Varshney, Dinesh

2016-05-01

The composites of (1-x) La0.67Ba0.33MnO3 (LBMO) + xBaTiO3 (BTO) (x = 0, 0.25 and 1.0) were synthesized by conventional solid-state reaction method. Rietveld refinement was employed to characterize the structural information of the prepared ceramics. The result of the Rietveld refinement of X-ray powder diffraction of La0.67Ba0.33MnO3 and BaTiO3 shows that these compounds crystallize in rhombohedral (R3c) and tetragonal (P4mm), respectively. The structural parameters and the reliability factors for the LBMO-BTO composite ceramics were successfully determined by the Rietveld refinement. At room temperature, Raman active phonon modes predicted by the group theory were observed only in BaTiO3 and composite sample. Pure LBMO does not show any Raman active Phonon mode at room temperature.

Raman spectral characteristics of magmatic-contact metamorphic coals from Huainan Coalfield, China

NASA Astrophysics Data System (ADS)

Chen, Shancheng; Wu, Dun; Liu, Guijian; Sun, Ruoyu

2017-01-01

Normal burial metamorphism of coal superimposed by magmatic-contact metamorphism makes the characteristics of the Raman spectrum of coal changed. Nine coal samples were chosen at a coal transect perpendicular to the intrusive dike, at the No. 3 coal seam, Zhuji Coal Mine, Huainan Coalfield, China, with different distances from dike-coal boundary (DCB). Geochemical (proximate and ultimate) analysis and mean random vitrinite reflectance (R0, %) indicate that there is a significant relationship between the values of volatile matter and R0 in metamorphosed coals. Raman spectra show that the graphite band (G band) becomes the major band but the disordered band (D band) disappears progressively, with the increase of metamorphic temperature in coals, showing that the structural organization in high-rank contact-metamorphosed coals is close to that of well-crystallized graphite. Evident relationships are observed between the calculated Raman spectral parameters and the peak metamorphic temperature, suggesting some spectral parameters have the potentials to be used as geothermometers for contact-metamorphic coals.

CT densitovolumetry in children with obliterative bronchiolitis: correlation with clinical scores and pulmonary function test results*,**

PubMed Central

Mocelin, Helena; Bueno, Gilberto; Irion, Klaus; Marchiori, Edson; Sarria, Edgar; Watte, Guilherme; Hochhegger, Bruno

2013-01-01

OBJECTIVE: To determine whether air trapping (expressed as the percentage of air trapping relative to total lung volume [AT%]) correlates with clinical and functional parameters in children with obliterative bronchiolitis (OB). METHODS: CT scans of 19 children with OB were post-processed for AT% quantification with the use of a fixed threshold of −950 HU (AT%950) and of thresholds selected with the aid of density masks (AT%DM). Patients were divided into three groups by AT% severity. We examined AT% correlations with oxygen saturation (SO2) at rest, six-minute walk distance (6MWD), minimum SO2 during the six-minute walk test (6MWT_SO2), FVC, FEV1, FEV1/FVC, and clinical parameters. RESULTS: The 6MWD was longer in the patients with larger normal lung volumes (r = 0.53). We found that AT%950 showed significant correlations (before and after the exclusion of outliers, respectively) with the clinical score (r = 0.72; 0.80), FVC (r = 0.24; 0.59), FEV1 (r = −0.58; −0.67), and FEV1/FVC (r = −0.53; r = −0.62), as did AT%DM with the clinical score (r = 0.58; r = 0.63), SO2 at rest (r = −0.40; r = −0.61), 6MWT_SO2 (r = −0.24; r = −0.55), FVC (r = −0.44; r = −0.80), FEV1 (r = −0.65; r = −0.71), and FEV1/FVC (r = −0.41; r = −0.52). CONCLUSIONS: Our results show that AT% correlates significantly with clinical scores and pulmonary function test results in children with OB. PMID:24473764

Forward and Inverse Modeling of Near-Field Seismic Waveforms from Underground Nuclear Explosions for Effective Source Functions and Structure Parameters.

DTIC Science & Technology

1987-04-05

IP o , I-S " M4.7 :" * AMIWILTON & U, .-- EALY(I969) : o H CARROLL(1966) HADLEY (19811 C . Figure 2. P and S-wave velocity structure for Pahute Mesa...8217; 0 .02 s wh ilIe S -. cI by C ) >, s) thIe kta i Is o f t he wav e for:7s are quite well modeled bot h ir tr~~e inversion nd in tefrad mod e Iin~ indi...ESTIMATION 7-Te source parameters determined through waveform inversion for the fo: s o r c ri i c e h v h s~ ahute Mesa events studied are sum.:rarited in

Structural analysis of cortical porosity applied to HR-pQCT data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tjong, Willy, E-mail: wwtjong@gmail.com; Nirody, Jasmine, E-mail: jnirody@berkeley.edu; Burghardt, Andrew J., E-mail: andrew.burghardt@ucsf.edu

2014-01-15

Purpose: The investigation of cortical porosity is an important aspect of understanding biological, pathoetiological, and biomechanical processes occurring within the skeleton. With the emergence of HR-pQCT as a noninvasive tool suitable for clinical use, cortical porosity at appendicular sites can be directly visualizedin vivo. The aim of this study was to introduce a novel topological analysis of the cortical pore network for HR-pQCT data and determine the influence of resolution on measures of cortical pore network microstructure and topology. Methods: Cadaveric radii were scanned using HR-pQCT at two different voxel sizes (41 and 82μm) and also using μCT at amore » voxel size of 18 μm. HR-pQCT and μCT image sets were spatially coregistered. Segmentation and quantification of cortical porosity (Ct.Po) and mean pore diameter (Ct.Po.Dm) were achieved using an established extended cortical analysis technique. Topological classification of individual pores was performed using topology-preserving skeletonization and multicolor dilation algorithms. Based on the pore skeleton topological classification, the following parameters were quantified: total number of planar surface-skeleton canals (N.Slabs), tubular curve-skeleton canals (N.Tubes), and junction elements (N.Junctions), mean slab volume (Slab.Vol), mean tube volume (Tube.Vol), mean slab orientation (Slab.θ), mean tube orientation (Tube.θ), N.Slabs/N.Tubes, and integral (total) slab volume/integral tube volume (iSlab.Vol/iTube.Vol). An in vivo reproducibility study was also conducted to assess short-term precision of the topology parameters. Precision error was characterized using root mean square coefficient of variation (RMSCV%). Results: Correlations toμCT values for Ct.Po were significant for both the 41 and 82 μm HR-pQCT data (41: r{sup 2} = 0.82, p < 0.001, 82: r{sup 2} = 0.75, p < 0.001). For Ct.Po.Dm, only the 41 μm data were significantly predictive of μCT values (r{sup 2} = 0.72, p < 0.01) Data at both HR-pQCT voxel sizes were strongly predictive of the μCT values for N.Slabs (41: r{sup 2} = 0.93, p < 0.001; 82: r{sup 2} = 0.84, p < 0.001), N.Tubes (41: r{sup 2} = 0.94, p < 0.001; 82: r{sup 2} = 0.84, p < 0.001), and N.Junctions (41: r{sup 2} = 0.93, p < 0.001; 82: r{sup 2} = 0.78, p < 0.001), though proportional bias was evident in these correlations. Weak correlations were seen for iSlab.Vol/iTube.Vol at both voxel sizes (41: r{sup 2} = 0.52, p < 0.01; 82: r{sup 2} = 0.39, p < 0.05). Slab.Vol was significantly correlated to μCT data at 41 μm (r{sup 2} = 0.60, p < 0.01) but not at 82 μm, while Tube.Vol was significantly correlated at both voxel sizes (41: r{sup 2} = 0.79, p < 0.001; 82: r{sup 2} = 0.68, p < 0.01). In vivo precision error for these parameters ranged from 2.31 to 9.68 RMSCV%. Conclusions: Strong correlations betweenμCT- and HR-pQCT-derived measurements were found, particularly in HR-pQCT images obtained at 41 μm. These data are in agreement with our previous study investigating the effect of voxel size on standard HR-pQCT metrics of trabecular and cortical microstructure, and extend our previous findings to include topological descriptors of the cortical pore network.« less

[Quantitative relationship between gas chromatographic retention time and structural parameters of alkylphenols].

PubMed

Ruan, Xiaofang; Zhang, Ruisheng; Yao, Xiaojun; Liu, Mancang; Fan, Botao

2007-03-01

Alkylphenols are a group of permanent pollutants in the environment and could adversely disturb the human endocrine system. It is therefore important to effectively separate and measure the alkylphenols. To guide the chromatographic analysis of these compounds in practice, the development of quantitative relationship between the molecular structure and the retention time of alkylphenols becomes necessary. In this study, topological, constitutional, geometrical, electrostatic and quantum-chemical descriptors of 44 alkylphenols were calculated using a software, CODESSA, and these descriptors were pre-selected using the heuristic method. As a result, three-descriptor linear model (LM) was developed to describe the relationship between the molecular structure and the retention time of alkylphenols. Meanwhile, the non-linear regression model was also developed based on support vector machine (SVM) using the same three descriptors. The correlation coefficient (R(2)) for the LM and SVM was 0.98 and 0. 92, and the corresponding root-mean-square error was 0. 99 and 2. 77, respectively. By comparing the stability and prediction ability of the two models, it was found that the linear model was a better method for describing the quantitative relationship between the retention time of alkylphenols and the molecular structure. The results obtained suggested that the linear model could be applied for the chromatographic analysis of alkylphenols with known molecular structural parameters.

A Novel Automated Slide-Based Technology for Visualization, Counting, and Characterization of the Formed Elements of Blood: A Proof of Concept Study.

PubMed

Winkelman, James W; Tanasijevic, Milenko J; Zahniser, David J

2017-08-01

- A novel automated slide-based approach to the complete blood count and white blood cell differential count is introduced. - To present proof of concept for an image-based approach to complete blood count, based on a new slide preparation technique. A preliminary data comparison with the current flow-based technology is shown. - A prototype instrument uses a proprietary method and technology to deposit a precise volume of undiluted peripheral whole blood in a monolayer onto a glass microscope slide so that every cell can be distinguished, counted, and imaged. The slide is stained, and then multispectral image analysis is used to measure the complete blood count parameters. Images from a 600-cell white blood cell differential count, as well as 5000 red blood cells and a variable number of platelets, that are present in 600 high-power fields are made available for a technologist to view on a computer screen. An initial comparison of the basic complete blood count parameters was performed, comparing 1857 specimens on both the new instrument and a flow-based hematology analyzer. - Excellent correlations were obtained between the prototype instrument and a flow-based system. The primary parameters of white blood cell, red blood cell, and platelet counts resulted in correlation coefficients (r) of 0.99, 0.99, and 0.98, respectively. Other indices included hemoglobin (r = 0.99), hematocrit (r = 0.99), mean cellular volume (r = 0.90), mean corpuscular hemoglobin (r = 0.97), and mean platelet volume (r = 0.87). For the automated white blood cell differential counts, r values were calculated for neutrophils (r = 0.98), lymphocytes (r = 0.97), monocytes (r = 0.76), eosinophils (r = 0.96), and basophils (r = 0.63). - Quantitative results for components of the complete blood count and automated white blood cell differential count can be developed by image analysis of a monolayer preparation of a known volume of peripheral blood.

Identifiability and estimation of multiple transmission pathways in cholera and waterborne disease.

PubMed

Eisenberg, Marisa C; Robertson, Suzanne L; Tien, Joseph H

2013-05-07

Cholera and many waterborne diseases exhibit multiple characteristic timescales or pathways of infection, which can be modeled as direct and indirect transmission. A major public health issue for waterborne diseases involves understanding the modes of transmission in order to improve control and prevention strategies. An important epidemiological question is: given data for an outbreak, can we determine the role and relative importance of direct vs. environmental/waterborne routes of transmission? We examine whether parameters for a differential equation model of waterborne disease transmission dynamics can be identified, both in the ideal setting of noise-free data (structural identifiability) and in the more realistic setting in the presence of noise (practical identifiability). We used a differential algebra approach together with several numerical approaches, with a particular emphasis on identifiability of the transmission rates. To examine these issues in a practical public health context, we apply the model to a recent cholera outbreak in Angola (2006). Our results show that the model parameters-including both water and person-to-person transmission routes-are globally structurally identifiable, although they become unidentifiable when the environmental transmission timescale is fast. Even for water dynamics within the identifiable range, when noisy data are considered, only a combination of the water transmission parameters can practically be estimated. This makes the waterborne transmission parameters difficult to estimate, leading to inaccurate estimates of important epidemiological parameters such as the basic reproduction number (R0). However, measurements of pathogen persistence time in environmental water sources or measurements of pathogen concentration in the water can improve model identifiability and allow for more accurate estimation of waterborne transmission pathway parameters as well as R0. Parameter estimates for the Angola outbreak suggest that both transmission pathways are needed to explain the observed cholera dynamics. These results highlight the importance of incorporating environmental data when examining waterborne disease. Copyright © 2013 Elsevier Ltd. All rights reserved.

Relationship between Scanning Laser Polarimetry with Enhanced Corneal Compensation and with Variable Corneal Compensation

PubMed Central

Kim, Kyung Hoon; Choi, Jaewan; Lee, Chang Hwan; Cho, Beom-Jin; Kook, Michael S.

2008-01-01

Purpose To evaluate the structure-function relationships between retinal sensitivity measured by Humphrey visual field analyzer (HVFA) and the retinal nerve fiber layer (RNFL) thickness measured by scanning laser polarimetry (SLP) with variable corneal compensation (VCC) and enhanced corneal compensation (ECC) in glaucomatous and healthy eyes. Methods Fifty-three eyes with an atypical birefringence pattern (ABP) based on SLP-VCC (28 glaucomatous eyes and 25 normal healthy eyes) were enrolled in this cross-sectional study. RNFL thickness was measured by both VCC and ECC techniques, and the visual field was examined by HVFA with 24-2 full-threshold program. The relationships between RNFL measurements in superior and inferior sectors and corresponding retinal mean sensitivity were sought globally and regionally with linear regression analysis in each group. Coefficients of the determination were calculated and compared between VCC and ECC techniques. Results In eyes with ABP, R2 values for the association between SLP parameters and retinal sensitivity were 0.06-0.16 with VCC, whereas they were 0.21-0.48 with ECC. The association of RNFL thickness with retinal sensitivity was significantly better with ECC than with VCC in 5 out of 8 regression models between SLP parameters and HVF parameters (P<0.05). Conclusions The strength of the structure-function association was higher with ECC than with VCC in eyes with ABP, which suggests that the ECC algorithm is a better approach for evaluating the structure-function relationship in eyes with ABP. PMID:18323701

[Quantitative analysis of emphysema and air trapping at inspiratory and expiratory phase multi-slice spiral CT scan in smokers: correlation with pulmonary function test].

PubMed

Zhang, D; Guan, Y; Fan, L; Xia, Y; Liu, S Y

2018-05-22

Objective: To quantify emphysema and air trapping at inspiratory and expiratory phase multi-slice spiral CT(MSCT) scanning in smokers without respiratory symptoms, and analyze the correlation between the CT quantifiable parameters and lung function parameters. Methods: A total of 72 smokers, who underwent medical examinations from September 2013 to September 2016 in Changzheng Hospital were enrolled in this research and were divided into two groups: 24 smokers with COPD and 48 smokers without COPD.Besides, thirty-nine non-smokers with normal pulmonary function were enrolled as the controls.All subjects underwent double phase MSCT scanning and pulmonary function tests.CT quantifiable parameters of emphysema included the low attenuation area below a threshold of -950 Hounsfield Units (HU)(LAA%(-950)), the lowest 15th percentile of the histogram of end-inspiratory attenuation values (P(15-IN)), the lowest 15th percentile of the histogram of end-expiratory attenuation values (P(15-EX)), relative volume change(RVC) and the expiratory to inspiratory ratio of mean lung density (E/I(MLD)). Pulmonary function parameters included forced expiratory volume in 1 second expressed as percent predicted (FEV(1)%), forced expiratory volume in one second to forced vital capacity ratio (FEV(1)/FVC), residual volume to total lung capacity ratio (RV/TLC) and carbon monoxide diffusion capacity corrected for alveolar volume (DLCO/VA). The differences of CT quantifiable parameters and pulmonary function parameters among the three groups were analyzed by using one-way analysis of variance or Kruskal - Wallis H test.The correlation between CT quantifiable parameters and pulmonary function parameters was analyzed by using Spearman ' s correlation analysis. Results: The differences of LAA%(-950)(the values for the controls, the group of smokers with out COPD and the group of smokers with COPD were 0.5%±0.7%, 0.7%±1.2% and 2.0%±2.4% respectively), P(15-IN)(the values of the three groups were (-892±33), (-905±15) and (-907±22) HU respectively), FEV(1)%(the values of the three groups were 88.4%±8.8%, 84.2%±7.5% and 82.1%±8.0% respectively), FEV(1)/FVC(the values of the three groups were 78.0%±3.8%, 76.6%±4.3% and 67.3%±5.5% respectively), DLCO/VA (the values of the three groups were (1.36±0.25), (1.30±0.22) and (1.21±0.22) mmol·min(-1)·kPa(-1)·L(-1) respectively) and RV/TLC (the values of the three groups were 49.5%±6.6%, 45.9%±6.0% and 53.0%±6.4% respectively) among the three groups were statistically significant (all P <0.05). In the control group, LAA%(-950) negatively correlated with FEV(1)/FVC and DLCO/VA( r =-0.32, P =0.04; r =-0.69, P =0.00) and neither did P(15-IN) with FEV(1)%( r =-0.14, P =0.02). Inversely, P(15-IN) positively correlated with DLCO/VA ( r =0.55, P =0.00). In the group of smokers without COPD, LAA%(-950) negatively correlated with FEV(1)/FVC and DLCO/VA( r =-0.31, P =0.04; r =-0.42, P =0.00), and P(15-IN) positively correlated with FEV(1)/FVC and DLCO/VA ( r =0.33, P =0.02; r =0.30, P =0.04). In the group of smokers with COPD, LAA%(-950) negatively correlated with DLCO/VA ( r =-0.62, P =0.00), but positively correlated with RV/TLC ( r =0.59, P =0.00). And P(15-IN) positively correlated with DLCO/VA( r =0.53, P =0.01). Conclusions: Smokers emphysema and air trapping can be effectively evaluated by double phase MSCT. Moreover, two of the CT quantifiable parameters, LAA%(-950) and P(15-IN), are highly sensitive to changes in pulmonary function.

Estimation of genetic parameters and response to selection for a continuous trait subject to culling before testing.

PubMed

Arnason, T; Albertsdóttir, E; Fikse, W F; Eriksson, S; Sigurdsson, A

2012-02-01

The consequences of assuming a zero environmental covariance between a binary trait 'test-status' and a continuous trait on the estimates of genetic parameters by restricted maximum likelihood and Gibbs sampling and on response from genetic selection when the true environmental covariance deviates from zero were studied. Data were simulated for two traits (one that culling was based on and a continuous trait) using the following true parameters, on the underlying scale: h² = 0.4; r(A) = 0.5; r(E) = 0.5, 0.0 or -0.5. The selection on the continuous trait was applied to five subsequent generations where 25 sires and 500 dams produced 1500 offspring per generation. Mass selection was applied in the analysis of the effect on estimation of genetic parameters. Estimated breeding values were used in the study of the effect of genetic selection on response and accuracy. The culling frequency was either 0.5 or 0.8 within each generation. Each of 10 replicates included 7500 records on 'test-status' and 9600 animals in the pedigree file. Results from bivariate analysis showed unbiased estimates of variance components and genetic parameters when true r(E) = 0.0. For r(E) = 0.5, variance components (13-19% bias) and especially (50-80%) were underestimated for the continuous trait, while heritability estimates were unbiased. For r(E) = -0.5, heritability estimates of test-status were unbiased, while genetic variance and heritability of the continuous trait together with were overestimated (25-50%). The bias was larger for the higher culling frequency. Culling always reduced genetic progress from selection, but the genetic progress was found to be robust to the use of wrong parameter values of the true environmental correlation between test-status and the continuous trait. Use of a bivariate linear-linear model reduced bias in genetic evaluations, when data were subject to culling. © 2011 Blackwell Verlag GmbH.

Divergent Effects of Hypertonic Fluid Resuscitation on Renal Pathophysiological and Structural Parameters in Rat Model of Lower Body Ischemia/Reperfusion-Induced Sterile Inflammation.

PubMed

Ergin, Bulent; Zuurbier, Coert J; Kapucu, Aysegul; Ince, Can

2017-12-27

The pathogenesis of acute kidney injury (AKI) is characterized by the deterioration of tissue perfusion and oxygenation and enhanced inflammation. The purpose of this study was to investigate whether or not the hemodynamic and inflammatory effects of hypertonic saline (HS) protect the kidney by promoting renal microcirculatory oxygenation and possible deleterious effects of HS due to its high sodium content on renal functional and structural injury following ischemia/reperfusion. Mechanically ventilated and anesthetized rats were randomly divided into four groups (n = 6 per group): a sham-operated control group; a group subjected to renal ischemia for 45 min by supra-aortic occlusion followed by 2 h of reperfusion (I/R); and I/R group treated with a continuous i.v. infusion (5 mL/kg/h) of either % 0.9 NaCl (IR+NS) or %10 NaCl (I/R+HS) after releasing the clamp. Systemic and renal hemodynamic, renal cortical (CμPO2), and medullar microcirculatory pO2 (MμPO2) are measured by the oxygen-dependent quenching of the phosphorescence lifetime technique. Renal functional, inflammatory, and tissues damage parameters were also assessed. HS, but not NS, treatment restored I/R-induced reduced mean arterial pressure, CμPO2, renal oxygen deliver (DO2ren), and consumption (VO2ren). HS caused a decrease in tubular sodium reabsorption (TNa) that correlated with an elevation of fractional sodium excretion (EFNa) and urine output. HS had an anti-inflammatory effect by reducing the levels TNF-α, IL-6, and hyaluronic acid in the renal tissue samples as compared with the I/R and I/R+NS groups (P < 0.05). HS treatment was also associated with mild acidosis and an increased renal tubular damage. Despite HS resuscitation improving the systemic hemodynamics, microcirculatory oxygenation, and renal oxygen consumption as well as inflammation, it should be limited or strictly controlled for long-term use because of provoking widespread renal structural damage.

Leading isospin-breaking corrections to meson masses on the lattice

NASA Astrophysics Data System (ADS)

Giusti, Davide; Lubicz, Vittorio; Martinelli, Guido; Sanfilippo, Francesco; Simula, Silvano; Tantalo, Nazario; Tarantino, Cecilia

2018-03-01

We present a study of the isospin-breaking (IB) corrections to pseudoscalar (PS) meson masses using the gauge configurations produced by the ETM Collaboration with Nf = 2+1+1 dynamical quarks at three lattice spacings varying from 0.089 to 0.062 fm. Our method is based on a combined expansion of the path integral in powers of the small parameters (m⌢d-m⌢u)/ΛQCD and αem, where m⌢f is the renormalized quark mass and αem the renormalized fine structure constant. We obtain results for the pion, kaon and Dmeson mass splitting; for the Dashen's theorem violation parameters εγ(MM, 2 GeV), επ0 εK0(MS, 2 GeV) for the light quark masses (m⌢d-m⌢u)(MS¯,2 GeV),(m⌢u/m⌢d)(MS¯,2 GeV); for the flavour symmetry breaking parameters R(MS, 2 GeV) and Q(MS, 2 GeV) and for the strong IB effects on the kaon decay constants.

Age- and sex-related regional compressive strength characteristics of human lumbar vertebrae in osteoporosis

PubMed Central

Kurutz, Márta; Donáth, Judit; Gálos, Miklós; Varga, Péter; Fornet, Béla

2008-01-01

Objective To obtain the compressive load bearing and energy absorption capacity of lumbar vertebrae of osteoporotic elderly for the everyday medical praxis in terms of the simple diagnostic data, like computed tomography (CT), densitometry, age, and sex. Methods Compressive test of 54 osteoporotic cadaver vertebrae L1 and L2, 16 males and 38 females (age range 43–93, mean age 71.6 ± 13.3 years, mean bone mineral density (BMD) 0.377 ± 0.089 g/cm2, mean T-score −5.57 ± 0.79, Z-score −4.05 ± 0.77) was investigated. Based on the load-displacement diagrams and the measured geometrical parameters of vertebral bodies, proportional, ultimate and yield stresses and strains, Young’s modulus, ductility and energy absorption capacity were determined. Three vertebral regions were distinguished: superior, central and inferior regions, but certain parameters were calculated for the upper/ lower intermediate layers, as well. Cross-sectional areas, and certain bone tissue parameters were determined by image analysis of CT pictures of vertebrae. Sex- and age-related decline functions and trends of strength characteristics were determined. Results Size-corrected failure load was 15%–25% smaller in women, proportional and ultimate stresses were about 30%–35% smaller for women in any region, and 20%–25% higher in central regions for both sexes. Young’s moduli were about 30% smaller in women in any region, and 20%–25% smaller in the central region for both sexes. Small strains were higher in males, large strains were higher in females, namely, proportional strains were about 25% larger in men, yield and ultimate strains were quasi equal for sexes, break strains were 10% higher in women. Ultimate energy absorption capacity was 10%–20% higher in men; the final ductile energy absorption capacity was quasi equal for sexes in all levels. Age-dependence was stronger for men, mainly in central regions (ultimate load, male: r = −0.66, p < 0.01, female: r = −0.52, p < 0.005; ultimate stress, male: r = −0.69, p < 0.01, female: r = −0.50, p < 0.005; Young’s modulus, male: r = −0.55, p < 0.05, female: r = −0.52, p < 0.005, ultimate stiffness, male: r = −0.58, p < 0.05, female: r = −0.35, p < 0.03, central ultimate absorbed energy density, male: r = −0.59, p < 0.015, female: r = −0.29, p < 0.08). Conclusions For the strongly osteoporotic population (BMD < 0.4 g/cm2, T-score < −4) the statical variables (loads, stresses) showed significant correlation; mixed variables (stiffness, Young’s modulus, energy) showed moderate correlation; kinematical variables (displacements, strains) showed no correlation with age. The strong correlation of men between BMD and aging (r = −0.82, p < 0.001) and betwen BMD and strength parameters (r = 0.8–0.9, p < 0.001) indicated linear trends in age-related strength loss for men; however, the moderate correlation of women between BMD and aging (r = −0.47, p < 0.005) and between BMD and strength parameters (r = 0.4–0.5, p < 0.005) suggested the need of nonlinear (quadratic) approximation that provided the better fit in age-related strength functions of females modelling postmenopausal disproportionalities. PMID:21197342

GEMINI/GeMS Observations Unveil the Structure of the Heavily Obscured Globular Cluster Liller 1.

NASA Astrophysics Data System (ADS)

Saracino, S.; Dalessandro, E.; Ferraro, F. R.; Lanzoni, B.; Geisler, D.; Mauro, F.; Villanova, S.; Moni Bidin, C.; Miocchi, P.; Massari, D.

2015-06-01

By exploiting the exceptional high-resolution capabilities of the near-IR camera GSAOI combined with the Gemini Multi-Conjugate Adaptive System at the GEMINI South Telescope, we investigated the structural and physical properties of the heavily obscured globular cluster Liller 1 in the Galactic bulge. We have obtained the deepest and most accurate color-magnitude diagram published so far for this cluster, reaching {{K}s}˜ 19 (below the main-sequence turnoff level). We used these data to redetermine the center of gravity of the system, finding that it is located about 2.″2 southeast from the literature value. We also built new star density and surface brightness profiles for the cluster and rederived its main structural and physical parameters (scale radii, concentration parameter, central mass density, total mass). We find that Liller 1 is significantly less concentrated (concentration parameter c=1.74) and less extended (tidal radius {{r}t}=298\\prime\\prime and core radius {{r}c}=5\\buildrel{\\prime\\prime}\\over{.} 39) than previously thought. By using these newly determined structural parameters, we estimated the mass of Liller 1 to be {{M}tot}=2.3+0.3-0.1× {{10}6} {{M}⊙ } ({{M}tot}=1.5+0.2-0.1× {{10}6} {{M}⊙ } for a Kroupa initial mass function), which is comparable to that of the most massive clusters in the Galaxy (ω Centari and Terzan 5). Also, Liller 1 has the second-highest collision rate (after Terzan 5) among all star clusters in the Galaxy, thus confirming that it is an ideal environment for the formation of collisional objects (such as millisecond pulsars). Based on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), Ministério da Ciência, Tecnologia e Inovação (Brazil), and Ministerio de Ciencia, Tecnología e Innovación Productiva (Argentina). Based on observations gathered with the ESO-VISTA telescope (program ID 179.B-2002).

Impulse oscillometry: a measure for airway obstruction.

PubMed

Vink, Geraldine R; Arets, Hubertus G M; van der Laag, Johan; van der Ent, Cornelis K

2003-03-01

The impulse oscillometry system (IOS) was introduced as a new technique to assess airflow obstruction in patients who are not able to perform forced breathing maneuvers, e.g., subjects with cerebral palsy or severe mental retardation, and young children. This study evaluates the sensitivity and specificity of IOS parameters to quantify changes in airflow obstruction in comparison with forced expiratory volume in the first second (FEV(1)) and peak expiratory flow (PEF) measurements. Measurements of FEV(1), PEF, and resistance (R) and reactance (X) at frequencies of 5-35 Hz were performed in 19 children with asthma before, during, and after methacholine challenge and subsequent bronchodilatation. All parameters changed significantly during tests. Values of R5 and R10 correlated with FEV(1) (r = -0.71 and -0.73, respectively, P < 0.001), as did values of X5 and X10 (r = 0.52 and 0.57, respectively, P < 0.01). Changes in R preceded changes in PEF and FEV(1) during methacholine challenge. The area under the receiver operating characteristic (ROC) curve to predict a 15% fall in FEV(1) showed better sensitivity and specificity for R5 (area under the curve, 0.85) compared to PEF (0.79) or R10 (0.73). We conclude that IOS parameters can be easily used as an indirect measure of airflow obstruction. This might be helpful in patients who are not able to perform forced breathing maneuvers. In individual subjects, R values measured at 5 Hz showed to be superior to PEF measurements in the detection of a 15% fall in FEV(1). Copyright 2003 Wiley-Liss, Inc.

Nanostructured GdxZn1-xO thin films by nebulizer spray pyrolysis technique: Role of doping concentration on the structural and optical properties

NASA Astrophysics Data System (ADS)

Mariappan, R.; Ponnuswamy, V.; Suresh, P.; Suresh, R.; Ragavendar, M.

2013-07-01

Nanostructured GdxZn1-xO thin films with different Gd concentration from 0% to 10% deposited at 400 °C using the NSP technique. The films were characterized by structural, surface and optical properties, respectively. X-ray diffraction analysis shows that the Gd doped ZnO films have lattice parameters a = 3.2497 Å and c = 5.2018 Å with hexagonal structure and preferential orientation along (0 0 2) plane. The estimated values compare well with the standard values. When film thickness increases from 222 to 240 nm a high visible region transmittance (>70%) is observed. The optical band gap energy, optical constants (n and k), complex dielectric constants (ɛr and ɛi) and optical conductivities (σr and σi) were calculated from optical transmittance data. The optical band gap energy is 3.2 eV for pure ZnO film and 3.6 eV for Gd0.1Zn0.9O film. The PL studies confirm the presence of a strong UV emission peak at 399 nm. Besides, the UV emission of ZnO films decreases with the increase of Gd doping concentration correspondingly the ultra-violet emission is replaced by blue and green emissions.

High-frequency ground-motion parameters from weak-motion data in the Sicily Channel and surrounding regions

NASA Astrophysics Data System (ADS)

D'Amico, Sebastiano; Akinci, Aybige; Pischiutta, Marta

2018-07-01

In this paper we characterize the high-frequency (1.0-10 Hz) seismic wave crustal attenuation and the source excitation in the Sicily Channel and surrounding regions using background seismicity from weak-motion database. The data set includes 15 995 waveforms related to earthquakes having local magnitude ranging from 2.0 to 4.5 recorded between 2006 and 2012. The observed and predicted ground motions form the weak-motion data are evaluated in several narrow frequency bands from 0.25 to 20.0 Hz. The filtered observed peaks are regressed to specify a proper functional form for the regional attenuation, excitation and site specific term separately. The results are then used to calibrate effective theoretical attenuation and source excitation models using the random vibration theory. In the log-log domain, the regional seismic wave attenuation and the geometrical spreading coefficient are modelled together. The geometrical spreading coefficient, g(r), modelled with a bilinear piecewise functional form and given as g(r) ∝ r-1.0 for the short distances (r < 50 km) and as g(r) ∝ r-0.8 for the larger distances (r < 50 km). A frequency-dependent quality factor, inverse of the seismic attenuation parameter, Q(f)=160f/fref0. 35 (where fref = 1.0 Hz), is combined to the geometrical spreading. The source excitation terms are defined at a selected reference distance with a magnitude-independent roll-off spectral parameter, κ 0.04 s and with a Brune stress drop parameter increasing with moment magnitude, from Δσ = 2 MPa for Mw = 2.0 to Δσ = 13 MPa for Mw = 4.5. For events M ≤ 4.5 (being Mwmax = 4.5 available in the data set) the stress parameters are obtained by correlating the empirical/excitation source spectra with the Brune spectral model as function of magnitude. For the larger magnitudes (Mw>4.5) outside the range available in the calibration data set where we do not have recorded data, we extrapolate our results through the calibration of the stress parameters of the Brune source spectrum over the Bindi et al.ground-motion prediction equation selected as a reference model (hereafter also ITA10). Finally, the weak-motion-based model parameters are used through a stochastic approach in order to predict a set of region specific spectral ground-motion parameters (peak ground acceleration, peak ground velocity, and 0.3 and 1.0 Hz spectral acceleration) relative to the generic rock site as a function of distance between 10 and 250 km and magnitude between M 2.0 and M 7.0.

Modeling seasonal measles transmission in China

NASA Astrophysics Data System (ADS)

Bai, Zhenguo; Liu, Dan

2015-08-01

A discrete-time deterministic measles model with periodic transmission rate is formulated and studied. The basic reproduction number R0 is defined and used as the threshold parameter in determining the dynamics of the model. It is shown that the disease will die out if R0 < 1 , and the disease will persist in the population if R0 > 1 . Parameters in the model are estimated on the basis of demographic and epidemiological data. Numerical simulations are presented to describe the seasonal fluctuation of measles infection in China.

Assessment of lumbosacral kyphosis in spondylolisthesis: a computer-assisted reliability study of six measurement techniques

PubMed Central

Glavas, Panagiotis; Mac-Thiong, Jean-Marc; Parent, Stefan; de Guise, Jacques A.

2008-01-01

Although recognized as an important aspect in the management of spondylolisthesis, there is no consensus on the most reliable and optimal measure of lumbosacral kyphosis (LSK). Using a custom computer software, four raters evaluated 60 standing lateral radiographs of the lumbosacral spine during two sessions at a 1-week interval. The sample size consisted of 20 normal, 20 low and 20 high grade spondylolisthetic subjects. Six parameters were included for analysis: Boxall’s slip angle, Dubousset’s lumbosacral angle (LSA), the Spinal Deformity Study Group’s (SDSG) LSA, dysplastic SDSG LSA, sagittal rotation (SR), kyphotic Cobb angle (k-Cobb). Intra- and inter-rater reliability for all parameters was assessed using intra-class correlation coefficients (ICC). Correlations between parameters and slip percentage were evaluated with Pearson coefficients. The intra-rater ICC’s for all the parameters ranged between 0.81 and 0.97 and the inter-rater ICC’s were between 0.74 and 0.98. All parameters except sagittal rotation showed a medium to large correlation with slip percentage. Dubousset’s LSA and the k-Cobb showed the largest correlations (r = −0.78 and r = −0.50, respectively). SR was associated with the weakest correlation (r = −0.10). All other parameters had medium correlations with percent slip (r = 0.31–0.43). All measurement techniques provided excellent inter- and intra-rater reliability. Dubousset’s LSA showed the strongest correlation with slip grade. This parameter can be used in the clinical setting with PACS software capabilities to assess LSK. A computer-assisted technique is recommended in order to increase the reliability of the measurement of LSK in spondylolisthesis. PMID:19015898

The Association Between Childhood Traumatic Events and Headache-Related Parameters in Patients with Migraine: A Cross-Sectional Study in Turkish Population.

PubMed

Özdil Demiryürek, Esra; Demiryürek, Bekir Enes; Tekin, Atilla; Güzey Aras, Yeşim; Doğan Güngen, Belma; Erdoğan, Sebatiye

2017-12-01

The aim of this study is to investigate the association between childhood traumatic events and headache-related clinical parameters in migraine patients. 95 patients diagnosed with migraine and 50 healthy controls were included in the study. A socio-demographic form, the Childhood Trauma Questionnaire (CTQ), the Beck Depression Inventory (BDI) and the Beck Anxiety Inventory (BAI) were completed by all participants. Additionally, the Visual Analog Scale (VAS) and the Migraine Disability Assessment Test (MIDAS) were applied to migraine patients. Positive correlations were found between emotional abuse, physical abuse, physical neglect, CTQ total scores, and headache frequency (r=0.33, r=0.24, r=0.26 and r=0.28 respectively) in migraine patients. A positive correlation was found between physical neglect and headache duration (r=0.28). Positive correlations were also found between emotional abuse and physical neglect, and MIDAS total scores (r=0.22 and r=0.23, respectively). Emotional abuse and CTQ total scores were associated with younger mean age of headache onset (r=-0.24 and r=-0.23). Childhood traumatic events are associated with more frequent and more severe headache episodes, and younger headache onset in migraine patients.

Comparison of Cone Model Parameters for Halo Coronal Mass Ejections

NASA Astrophysics Data System (ADS)

Na, Hyeonock; Moon, Y.-J.; Jang, Soojeong; Lee, Kyoung-Sun; Kim, Hae-Yeon

2013-11-01

Halo coronal mass ejections (HCMEs) are a major cause of geomagnetic storms, hence their three-dimensional structures are important for space weather. We compare three cone models: an elliptical-cone model, an ice-cream-cone model, and an asymmetric-cone model. These models allow us to determine three-dimensional parameters of HCMEs such as radial speed, angular width, and the angle [ γ] between sky plane and cone axis. We compare these parameters obtained from three models using 62 HCMEs observed by SOHO/LASCO from 2001 to 2002. Then we obtain the root-mean-square (RMS) error between the highest measured projection speeds and their calculated projection speeds from the cone models. As a result, we find that the radial speeds obtained from the models are well correlated with one another ( R > 0.8). The correlation coefficients between angular widths range from 0.1 to 0.48 and those between γ-values range from -0.08 to 0.47, which is much smaller than expected. The reason may be the different assumptions and methods. The RMS errors between the highest measured projection speeds and the highest estimated projection speeds of the elliptical-cone model, the ice-cream-cone model, and the asymmetric-cone model are 376 km s-1, 169 km s-1, and 152 km s-1. We obtain the correlation coefficients between the location from the models and the flare location ( R > 0.45). Finally, we discuss strengths and weaknesses of these models in terms of space-weather application.

Leg blood pressure measured in orthostatic posture is associated with left ventricular mass in normotensive subjects.

PubMed

Gemignani, Tiago; Matos-Souza, José R; Franchini, Kleber G; Nadruz, Wilson

2012-10-01

Changing from a supine to an orthostatic posture is associated with substantial increments in leg blood pressure (BP) levels, which could ultimately influence the hemodynamic burden imposed on the heart. This study investigated the relationship between brachial and leg BP measurements and the left cardiac chamber's structure and assessed the role of body posture changes in this regard. One hundred and thirty normotensive, nondiabetic, nonsmoking, normolipemic subjects were evaluated by a clinical history, anthropometry, the analysis of metabolic parameters, echocardiography, and the measurement of BP in the arm and the calf in both supine and orthostatic positions. Significant correlation coefficients between the leg BP measurements and the cardiac structure were detected, especially between the orthostatic pulse pressure (PP) and the left ventricular (LV) wall thickness (r = 0.38; P < 0.001), the orthostatic PP and the LV mass (r = 0.37; P < 0.001), and the orthostatic systolic BP (SBP) and the left atrial size (r = 0.35; P < 0.001). Stepwise and standard regression analysis adjusted for brachial BP and anthropometric and metabolic variables confirmed that the leg orthostatic PP was independently related to the LV wall thickness and mass. Moreover, the leg orthostatic SBP was associated with the left atrial dimension even after adding the LV mass to the statistical models. Finally, triglyceride levels and body surface area showed significant relationship with leg orthostatic PP and SBP, whereas brachial orthostatic PP and SBP were only associated with age and anthropometric variables. Orthostatic leg BP is independently associated with the cardiac structure in normotensive subjects.

Androgen deficiency and dry eye syndrome in the aging male.

PubMed

Azcarate, Patrick M; Venincasa, Vincent D; Feuer, William; Stanczyk, Frank; Schally, Andrew V; Galor, Anat

2014-07-03

To evaluate the relationship between androgen levels and subjective and objective measures of dry eye syndrome (DES). A total of 263 male patients from the Miami Veterans Affairs Medical Center eye clinic aged ≥50 were recruited for this prospective cross-sectional study. Patients completed Dry Eye Questionnaire 5, underwent tear film evaluation, and had serum androgen levels measured. The correlations between androgen levels, DES composite scores, DES symptoms, and global, lipid, and aqueous tear film parameters were evaluated. Two hundred sixty-three patients with a mean age of 69 (50-95) were examined. There was no linear association between composite DES scores (generated using latent class analysis) and androgen levels. However, eyes with high DES scores (0.95-1.0) had higher levels of sex hormone-binding globulin (P = 0.03) and lower levels of dehydroepiandrosterone sulfate (DHEAS) (P = 0.02), androstenedione (A) (P = 0.02), and androstane-3α,17β-diol glucuronide (P = 0.03) compared to eyes with intermediate (0.05-0.95) or low (0-0.05) scores. There were no strong correlations between tear film measures and androgen levels. Regarding global parameters, a weak inverse correlation was found between corneal staining and A (r = -0.17, P = 0.009). For lipid parameters, a weak correlation existed between tear breakup time (TBUT) and A (r = 0.15, P = 0.02). When considering aqueous and lipid deficiency independently, the association between TBUT and A existed only with aqueous tear deficiency (r = 0.66, P = 0.002). Regarding aqueous parameters, a weak correlation existed between Schirmer test and DHEAS (r = 0.13, P = 0.047) and A (r = 0.21, P = 0.001). There was a weak correlation between higher levels of androstenedione and healthier global, lipid, and aqueous tear film parameters. Copyright 2014 The Association for Research in Vision and Ophthalmology, Inc.

Synthesis and structure of R{sub 2}[UO{sub 2}(NO{sub 3}){sub 2}(NCS){sub 2}] (R = Rb or Cs)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Serezhkin, V. N., E-mail: lserezh@samsu.ru; Peresypkina, E. V.; Grigor’eva, V. A.

2015-01-15

Crystals Rb{sub 2}[UO{sub 2}(NO{sub 3}){sub 2}(NCS){sub 2}] (I) and Cs{sub 2}[UO{sub 2}(NO{sub 3}){sub 2}(NCS){sub 2}] (II) have been synthesized and studied by IR spectroscopy and X-ray diffraction. Crystals I are monoclinic, with the following parameters: a = 12.2118(5) Å, b = 10.2545(3) Å, c = 11.8754(4) Å, β = 110.287(1)°, sp. gr. C2/c, Z = 4, and R = 0.0523. Crystals II are orthorhombic, with a = 13.7309(3) Å, b = 10.5749(2) Å, c = 10.1891(2) Å, sp. gr. Pnma, Z = 4, and R = 0.0411. The basic structural units of crystals I and II are one-core complexes [UO{submore » 2}(NO{sub 3}){sub 2}(NCS){sub 2}]{sup 2−}, which belong to the crystallochemical group cis-AB{sub 2}{sup 01}M{sub 2}{sup 1} (A = UO{sub 2}{sup 2+}, B{sup 01} = NO{sub 3}{sup −}, M{sup 1} = NCS{sup −}), which are combined into a framework via electrostatic interactions with ions of alkaline metals R (R = Rb or Cs). The structural features of crystals I and II, which condition the formation of [UO{sub 2}(NO{sub 3}){sub 2}(NCS){sub 2}]{sup 2−} complexes with a cis rather than a trans position of isothiocyanate ions in the coordination sphere of uranyl ions, are discussed.« less

Cervicothoracic Lordosis Can Influence Outcome After Posterior Cervical Spine Surgery.

PubMed

Brasil, Albert Vincent Berthier; Fruett da Costa, Pablo Ramon; Vial, Antonio Delacy Martini; Barcellos, Gabriel da Costa; Zauk, Eduardo Balverdu; Worm, Paulo Valdeci; Ferreira, Marcelo Paglioli; Ferreira, Nelson Pires

2018-01-01

Previous studies on the correlation between cervical sagittal balance with improvement in quality of life showed significant results only for parameters of the anterior translation of the cervical spine (such as C2-C7 SVA). We test whether a new parameter, cervicothoracic lordosis , can predict clinical success in this type of surgery. The focused group involved patients who underwent surgical treatment of cervical degenerative disk disease by the posterior approach, due to myelopathy, radiculopathy or a combination of both. Neurologic deficit was measured before and after surgery with the Nurick Scale, postoperative quality of life, physical and mental components of SF-36 and NDI. Cervicothoracic lordosis and various sagittal balance parameters were also measured. Cervicothoracic lordosis was defined as the angle between: a) the line between the centroid of C2 and the centroid of C7; b) the line between the centroid of C7 and the centroid of T6. Correlations between postoperative quality of life and sagittal parameters were calculated. Twenty-nine patients between 27 and 78 years old were evaluated. Surgery types were simple decompression (laminectomy or laminoforaminotomy) (3 patients), laminoplasty (4 patients) and laminectomy with fusion in 22 patients. Significant correlations were found for C2-C7 SVA and cervicothoracic lordosis. C2-C7 SVA correlated negatively with MCS (r=-0.445, p=0.026) and PCS (r=-0.405, p=0.045). Cervicothoracic lordosis correlated positively with MCS (r=0.554, p= 0.004) and PCS (r=0.462, p=0.020) and negatively with NDI (r=-0.416, p=0.031). The parameter cervicothoracic lordosis correlates with improvement of quality life after surgery for cervical degenerative disk disease by the posterior approach.

Cultivable bacterial diversity along the altitudinal zonation and vegetation range of tropical Eastern Himalaya.

PubMed

Lyngwi, Nathaniel A; Koijam, Khedarani; Sharma, D; Joshi, S R

2013-03-01

The Northeastern part of India sprawls over an area of 262 379km2 in the Eastern Himalayan range. This constitutes a biodiversity hotspot with high levels of biodiversity and endemism; unfortunately, is also a poorly known area, especially on its microbial diversity. In this study, we assessed cultivable soil bacterial diversity and distribution from lowlands to highlands (34 to 3 990m.a.s.l.). Soil physico-chemical parameters and forest types across the different altitudes were characterized and correlated with bacterial distribution and diversity. Microbes from the soil samples were grown in Nutrient, Muller Hinton and Luria-Bertani agar plates and were initially characterized using biochemical methods. Parameters like dehydrogenase and urease activities, temperature, moisture content, pH, carbon content, bulk density of the sampled soil were measured for each site. Representative isolates were also subjected to 16S rDNA sequence analysis. A total of 155 cultivable bacterial isolates were characterized which were analyzed for richness, evenness and diversity indices. The tropical and sub-tropical forests supported higher bacterial diversity compared to temperate pine, temperate conifer, and sub-alpine rhododendron forests. The 16S rRNA phylogenetic analysis revealed that Firmicutes was the most common group followed by Proteobacreria and Bacteroidetes. Species belonging to the genera Bacillus and Pseudomonas were the most abundant. Bacterial CFU showed positive but insignificant correlation with soil parameters like pH (r=0.208), soil temperature (r=0.303), ambient temperature (r=0.443), soil carbon content (r=0.525), soil bulk density (r=0.268), soil urease (r=0.549) and soil dehydrogenase (r=0.492). Altitude (r=-0.561) and soil moisture content (r=-0.051) showed negative correlation. Altitudinal gradient along with the vegetation and soil physico-chemical parameters were found to influence bacterial diversity and distribution. This study points out that this is a biome with a vast reservoir of bacteria which decrease with increasing altitudes, and highlights the microbiological importance of the poorly studied Eastern Himalayan range, justifying efforts to explore the prevalence of novel species in the biome.

Correlation between Topographic Parameters Obtained by Back Surface Topography Based on Structured Light and Radiographic Variables in the Assessment of Back Morphology in Young Patients with Idiopathic Scoliosis.

PubMed

Pino-Almero, Laura; Mínguez-Rey, María Fe; Cibrián-Ortiz de Anda, Rosa María; Salvador-Palmer, María Rosario; Sentamans-Segarra, Salvador

2017-04-01

Optical cross-sectional study. To study the correlation between asymmetry of the back (measured by means of surface topography) and deformity of the spine (quantified by the Cobb angle). The Cobb angle is considered the gold standard in diagnosis and follow-up of scoliosis but does not correctly characterize the three-dimensional deformity of scoliosis. Furthermore, the exposure to ionizing radiation may cause harmful effects particularly during the growth stage, including breast cancer and other tumors. Patients aged 13.15±1.96 years (range, 7-17 years; n=88) with Cobb angle greater than 10° were evaluated with X-rays and our back surface topography method through three variables: axial plane (DHOPI), coronal plane (POTSI), and profile plane (PC). Pearson's correlation was applied to determine the correlation between topographic and radiographic variables. One-way analysis of variance and Bonferroni correction were used to compare groups with different grades of scoliosis. Significance was set at p <0.01 and, in some cases, at p <0.05. We detected a positive, statistically significant correlation between Cobb angle with DHOPI ( r =0.810) and POTSI ( r =0.629) and between PC variables with thoracic kyphosis angle ( r =0.453) and lordosis lumbar angle ( r =0.275). In addition, we found statistically significant differences for DHOPI and POTSI variables according to the grade of scoliosis. Although the back surface topography method cannot substitute for radiographs in the diagnosis of scoliosis, correlations between radiographic and topographic parameters suggest that it offers additional quantitative data that may complement radiologic study.

[Serum level of S100B as a marker of progression of vascular mild cognitive impairment into subcortical vascular dementia and therapy effectiveness].

PubMed

Levada, O A; Traïlin, A V

2012-01-01

We evaluated serum level of S100B in 11 patients with subcortical vascular dementia (SVD) and 19 patients with subcortical vascular mild cognitive impairment (SVMCI). Comparable groups were age-matched (79.18 +/- 7.76 in SVD group, 77.84 +/- 3.83 in SVMCI; P = 0.53). 22 patients were assessed after 1 month therapy. It was shown that the serum S100B level significantly increased--(0.065 +/- 0.020) micro/l (P = 0.0005) in SVD patients comparing to SVMCI ones - (0.043 +/- 0.010) microg/l. S100B level was significantly correlated with the clinical parameters: MMSE performance (r(s) = -0.61), CDR (r(s) = 0.58), attention task (r(s) = -0.46), pseudobulbar syndrome severity (r(s) = 0.37) and walking alteration (r(s)= 0.37). In patients with reduction of S100B level due to therapy (positive dynamics, n = 12) we registered significant improvement of some clinical parameters: MMSE, attention level, walking. In patients with increasing of S100B level (negative dynamics, n = 10) we didn't registered improvement of any clinical parameters. We made the conclusion that the serum level of S100B could be used as marker of progression SVMCI into SVD and therapy effectiveness.

Synthesis and crystal structure of chromium-bearing anhydrous wadsleyite

NASA Astrophysics Data System (ADS)

Sirotkina, E. A.; Bindi, L.; Bobrov, A. V.; Aksenov, S. M.; Irifune, T.

2018-04-01

A chromium-bearing wadsleyite (Cr- Wad) was synthesized in the model system Mg2SiO4-MgCr2O4 at 14 GPa and 1600 °C and studied from the chemical and structural point of views. Microprobe data gave the formula Mg1.930Cr0.120Si0.945O4, on the basis of 4 oxygen atoms. The crystal structure has been studied by single-crystal X-ray diffraction. The orthorhombic unit-cell parameters are: a = 5.6909(5) Å, b = 11.4640(10) Å, c = 8.2406(9) Å, V = 537.62(9) Å3, Z = 8. The structure, space group Imma, was refined to R 1 = 5.99% in anisotropic approximation using 1135 reflections with F o > 4σ( F o) and 43 parameters. Chromium was found to substitute for both Mg at the octahedral sites and Si at the tetrahedral site, according to the reaction VIMg2+ + IVSi4+ = VICr3+ + IVCr3+. On the whole, the structural topology is nearly identical to that of pure wadsleyite. The successful synthesis of Cr- Wad may be important for the thermobarometry of mantle phase associations.

Treadmill based reference running data for healthy subjects is dependent on speed and morphological parameters.

PubMed

Schulze, Stephan; Schwesig, René; Edel, Melanie; Fieseler, Georg; Delank, Karl-Stefan; Hermassi, Souhail; Laudner, Kevin G

2017-10-01

To obtain spatiotemporal and dynamic running parameters of healthy participants and to identify relationships between running parameters, speed, and physical characteristics. A dynamometric treadmill was used to collect running data among 417 asymptomatic subjects during speeds ranging from 10 to 24km/h. Spatiotemporal and dynamic running parameters were calculated and measured. Results of the analyses showed that assessing running parameters is dependent on running speed. Body height correlated with stride length (r=0.5), cadence (r=-0.5) and plantar forefoot force (r=0.6). Body mass also had a strong relationship to plantar forefoot forces at 14 and 24km/h and plantar midfoot forces at 14 and 24km/h. This reference data base can be used in the kinematic and kinetic evaluation of running under a wide range of speeds. Copyright © 2017 Elsevier B.V. All rights reserved.

Crystalline structure of Cu4SSe

NASA Astrophysics Data System (ADS)

Amiraslanov, I. R.; Alieva, N. A.; Guseinov, G. G.

2016-12-01

Ternary compound Cu4SSe has been first synthesized by alloying the Cu, S, and Se elements taken in stoichiometric ratios. An X-ray diffraction study of polycrystalline samples has revealed the synthesized material to be crystallized into the trigonal system with unit-cell parameters a = 4.021(1) Å, c = 6.838(1) Å, and V = 95.75(4) Å3; sp. gr. P bar 3 m1; Z = 1; D x = 6.333(3) g/cm3. The crystal structure has been solved and refined to the reliability factor R Bragg = 0.40%.

Prospective dynamic functional evaluation of gait and spinal balance following spinal fusion in adolescent idiopathic scoliosis.

PubMed

Lenke, L G; Engsberg, J R; Ross, S A; Reitenbach, A; Blanke, K; Bridwell, K H

2001-07-15

Prospective evaluation of gait and spinal-pelvic balance parameters in patients with adolescent idiopathic scoliosis undergoing a spinal fusion. To evaluate changes in gait and three-dimensional alignment and balance of the spine relative to the pelvis as a consequence of spinal fusion. Preoperative and postoperative spinal radiographs have been the major forms of outcome analysis of adolescent idiopathic scoliosis fusions. The use of optoelectronic analysis for posture and gait has gained acceptance recently. However, there is a paucity of data quantifying, comparing, and correlating structural and functional changes in patients undergoing scoliosis fusion surgery including upright posture and gait. Thirty patients with adolescent idiopathic scoliosis undergoing an instrumented spinal fusion were prospectively evaluated. Coronal and sagittal vertical alignment was evaluated on radiographs (CVA-R, SVA-R), during upright posture (CVA-P and SVA-P), and during gait (CVA-G, SVA-G). Transverse plane alignment was evaluated by the acromion-pelvis angle during gait. Gait speed was significantly decreased (P < 0.05) between preoperative (129 +/- 16 cm/sec) and 2-year postoperative (119 +/- 16 cm/sec) testing sessions. Decreasing gait speed was the result of significantly reduced cadence and decreased stride length. There were no significant differences for lower extremity kinematics over the entire gait cycle. Spinal-pelvic balance parameters showed significant improvement in mean CVA-R, CVA-G (P < 0.05), then unchanged CVA-P at 2 years postoperation. CVA-P was relatively unchanged while the mean CVA-G also showed significant improvement from preoperation (2.2 +/- 2.4 cm) to 2 years postoperation (1.3 +/- 1.3 cm)(P < 0.05). The mean SVA-R, SVA-P, and SVA-G were unchanged at 2 years postoperation (P > 0.05). The acromion-pelvis angle during gait at maximum shoulder rotation was statistically improved at 1 year (P = 0.002) and 2 years (P = 0.001) after surgery. Importantly, CVA-P correlated with CVA-G, and SVA-P correlated with SVA-G to the P < 0.05 level. Patients with adolescent idiopathic scoliosis undergoing spinal fusion show slightly decreased gait speed at 2 years postoperation without any change in lower extremity kinematics. Spinal-pelvic balance parameters are improved in the coronal plane and unchanged in the sagittal plane radiographically and during standing posture and gait. Transverse plane parameters also are improved at maximum shoulder rotation during gait.

Determining dynamical parameters of the Milky Way Galaxy based on high-accuracy radio astrometry

NASA Astrophysics Data System (ADS)

Honma, Mareki; Nagayama, Takumi; Sakai, Nobuyuki

2015-08-01

In this paper we evaluate how the dynamical structure of the Galaxy can be constrained by high-accuracy VLBI (Very Long Baseline Interferometry) astrometry such as VERA (VLBI Exploration of Radio Astrometry). We generate simulated samples of maser sources which follow the gas motion caused by a spiral or bar potential, with their distribution similar to those currently observed with VERA and VLBA (Very Long Baseline Array). We apply the Markov chain Monte Carlo analyses to the simulated sample sources to determine the dynamical parameter of the models. We show that one can successfully determine the initial model parameters if astrometric results are obtained for a few hundred sources with currently achieved astrometric accuracy. If astrometric data are available from 500 sources, the expected accuracy of R0 and Θ0 is ˜ 1% or higher, and parameters related to the spiral structure can be constrained by an error of 10% or with higher accuracy. We also show that the parameter determination accuracy is basically independent of the locations of resonances such as corotation and/or inner/outer Lindblad resonances. We also discuss the possibility of model selection based on the Bayesian information criterion (BIC), and demonstrate that BIC can be used to discriminate different dynamical models of the Galaxy.

Interception loss, throughfall and stemflow in a maritime pine stand. II. An application of Gash's analytical model of interception

NASA Astrophysics Data System (ADS)

Loustau, D.; Berbigier, P.; Granier, A.

1992-10-01

Interception, throughfall and stemflow were determined in an 18-year-old maritime pine stand for a period of 30 months. This involved 71 rainfall events, each corresponding either to a single storm or to several storms. Gash's analytical model of interception was used to estimate the sensitivity of interception to canopy structure and climatic parameters. The seasonal cumulative interception loss corresponded to 12.6-21.0% of the amount of rainfall, whereas throughfall and stemflow accounted for 77-83% and 1-6%, respectively. On a seasonal basis, simulated data fitted the measured data satisfactorily ( r2 = 0.75). The rainfall partitioning between interception, throughfall and stemflow was shown to be sensitive to (1) the rainfall regime, i.e. the relative importance of light storms to total rainfall, (2) the climatic parameters, rainfall rate and average evaporation rate during storms, and (3) the canopy structure parameters of the model. The low interception rate of the canopy was attributed primarily to the low leaf area index of the stand.

Using in-process measurements of open-gate structures to evaluate threshold voltage of normally-off GaN-based high electron mobility transistors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hou, Bin; Ma, Xiao-Hua, E-mail: xhma@xidian.edu.cn, E-mail: yhao@xidian.edu.cn; Chen, Wei-Wei

The parameters of open-gate structures treated with different etching time were monitored during the gate recess process, and their impacts on the threshold voltage (V{sub th}) of final fabricated AlGaN/GaN high electron mobility transistors (HEMTs) based on open-gate structures were discussed in this paper. It is found that V{sub th} can exceed 0 V when channel resistance in the recessed region (R{sub on-open}) increases over ∼275 Ω mm, maximum current (I{sub Dmax}) decreases below ∼29 mA/mm, or recessed barrier thickness (t{sub RB}) is below ∼7.5 nm. In addition, t{sub RB} obtained by atomic force microscopy measurements and C-V measurements are also compared. Finally,more » theoretical common criteria based on the experimental results of this work for t{sub RB} and R{sub on-open} were established to evaluate the V{sub th} of a regular normally-off AlGaN/GaN HEMTs. The results indicate that these parameters of open-gate structure can be utilized to achieve normally-off HEMTs with controllable V{sub th}.« less

Electronic properties of 3R-CuAlO2 under pressure: Three theoretical approaches

NASA Astrophysics Data System (ADS)

Christensen, N. E.; Svane, A.; Laskowski, R.; Palanivel, B.; Modak, P.; Chantis, A. N.; van Schilfgaarde, M.; Kotani, T.

2010-01-01

The pressure variation in the structural parameters, u and c/a , of the delafossite CuAlO2 is calculated within the local-density approximation (LDA). Further, the electronic structures as obtained by different approximations are compared: LDA, LDA+U , and a recently developed “quasiparticle self-consistent GW ” (QSGW) approximation. The structural parameters obtained by the LDA agree very well with experiments but, as expected, gaps in the formal band structure are underestimated as compared to optical experiments. The (in LDA too high lying) Cu3d states can be down shifted by LDA+U . The magnitude of the electric field gradient (EFG) as obtained within the LDA is far too small. It can be “fitted” to experiments in LDA+U but a simultaneous adjustment of the EFG and the gap cannot be obtained with a single U value. QSGW yields reasonable values for both quantities. LDA and QSGW yield significantly different values for some of the band-gap deformation potentials but calculations within both approximations predict that 3R-CuAlO2 remains an indirect-gap semiconductor at all pressures in its stability range 0-36 GPa, although the smallest direct gap has a negative pressure coefficient.

Exploration of stable compounds, crystal structures, and superconductivity in the Be-H system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Shuyin, E-mail: yushuyin2014@gmail.com; Zeng, Qingfeng; Zhang, Litong

2014-10-15

Using first-principles variable-composition evolutionary methodology, we explored the high-pressure structures of beryllium hydrides between 0 and 400 GPa. We found that BeH{sub 2} remains the only stable compound in this pressure range. The pressure-induced transformations are predicted as Ibam→P3{sup -}m1→R3{sup -}m→Cmcm→P4/nmm, which occur at 24, 139, 204 and 349 GPa, respectively. P3{sup -}m1 and R3{sup -}m structures are layered polytypes based on close packings of H atoms with Be atoms filling all octahedral voids in alternating layers. Cmcm and P4/nmm contain two-dimensional triangular networks with each layer forming a kinked slab in the ab-plane. P3{sup -}m1 and R3{sup -}m aremore » semiconductors while Cmcm and P4/nmm are metallic. We have explored superconductivity of both metal phases, and found large electron-phonon coupling parameters of λ = 0.63 for Cmcm with a T{sub c} of 32.1-44.1 K at 250 GPa and λ = 0.65 for P4/nmm with a T{sub c} of 46.1-62.4 K at 400 GPa. The dependence of T{sub c} on pressure indicates that T{sub c} initially increases to a maximum of 45.1 K for Cmcm at 275 GPa and 97.0 K for P4/nmm at 365 GPa, and then decreases with increasing pressure for both phases.« less

Validation of refraction and anterior segment parameters by a new multi-diagnostic platform (VX120).

PubMed

Gordon-Shaag, Ariela; Piñero, David P; Kahloun, Cyril; Markov, David; Parnes, Tzadok; Gantz, Liat; Shneor, Einat

2018-03-08

The VX120 (Visionix Luneau, France) is a novel multi-diagnostic platform that combines Hartmann-Shack based autorefraction, Placido-disk based corneal-topography and anterior segment measurements made with a stationary-Scheimpflug camera. We investigate the agreement between different parameters measured by the VX120 with accepted or gold-standard techniques to test if they are interchangeable, as well as to evaluate the repeatability and reproducibility. The right-eyes of healthy subjects were included in the study. Autorefraction of the VX120 was compared to subjective refraction. Agreement of anterior segment parameters was compared to the Sirius (CSO, Italy) including autokeratometry, central corneal thickness (CCT), iridiocorneal angle (IA). Inter and intra-test repeatability of the above parameters was assessed. Results were analyzed using Bland and Altman analyses. A total of 164 eyes were evaluated. The mean difference between VX120 autorefraction and subjective refraction for sphere, spherical equivalent (SE), and cylinder was 0.01±0.43D, 0.14±0.47D, and -0.26±0.30D, respectively and high correlation was found to all parameter (r>0.75) except for J 45 (r=0.61). The mean difference between VX120 and the Sirius system for CCT, IA, and keratometry (k1 and k2) was -3.51±8.64μm, 7.6±4.2°, 0.003±0.06mm and 0.004±0.04mm, respectively and high correlation was found to all parameter (r>0.97) except for IA (r=0.67). Intrasession repeatability of VX120 refraction, CCT, IA and keratometry yielded low within-subject standard deviations. Inter-session repeatability showed no statistically significant difference for most of the parameters measured. The VX120 provides consistent refraction and most anterior segment measurements in normal healthy eyes, with high levels of intra and inter-session repeatability. Copyright © 2018. Published by Elsevier España, S.L.U.

Application of 3D-QSAR, Pharmacophore, and Molecular Docking in the Molecular Design of Diarylpyrimidine Derivatives as HIV-1 Nonnucleoside Reverse Transcriptase Inhibitors.

PubMed

Liu, Genyan; Wang, Wenjie; Wan, Youlan; Ju, Xiulian; Gu, Shuangxi

2018-05-11

Diarylpyrimidines (DAPYs), acting as HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs), have been considered to be one of the most potent drug families in the fight against acquired immunodeficiency syndrome (AIDS). To better understand the structural requirements of HIV-1 NNRTIs, three-dimensional quantitative structure⁻activity relationship (3D-QSAR), pharmacophore, and molecular docking studies were performed on 52 DAPY analogues that were synthesized in our previous studies. The internal and external validation parameters indicated that the generated 3D-QSAR models, including comparative molecular field analysis (CoMFA, q 2 = 0.679, R 2 = 0.983, and r pred 2 = 0.884) and comparative molecular similarity indices analysis (CoMSIA, q 2 = 0.734, R 2 = 0.985, and r pred 2 = 0.891), exhibited good predictive abilities and significant statistical reliability. The docking results demonstrated that the phenyl ring at the C₄-position of the pyrimidine ring was better than the cycloalkanes for the activity, as the phenyl group was able to participate in π⁻π stacking interactions with the aromatic residues of the binding site, whereas the cycloalkanes were not. The pharmacophore model and 3D-QSAR contour maps provided significant insights into the key structural features of DAPYs that were responsible for the activity. On the basis of the obtained information, a series of novel DAPY analogues of HIV-1 NNRTIs with potentially higher predicted activity was designed. This work might provide useful information for guiding the rational design of potential HIV-1 NNRTI DAPYs.

Elbow joint angle and elbow movement velocity estimation using NARX-multiple layer perceptron neural network model with surface EMG time domain parameters.

PubMed

Raj, Retheep; Sivanandan, K S

2017-01-01

Estimation of elbow dynamics has been the object of numerous investigations. In this work a solution is proposed for estimating elbow movement velocity and elbow joint angle from Surface Electromyography (SEMG) signals. Here the Surface Electromyography signals are acquired from the biceps brachii muscle of human hand. Two time-domain parameters, Integrated EMG (IEMG) and Zero Crossing (ZC), are extracted from the Surface Electromyography signal. The relationship between the time domain parameters, IEMG and ZC with elbow angular displacement and elbow angular velocity during extension and flexion of the elbow are studied. A multiple input-multiple output model is derived for identifying the kinematics of elbow. A Nonlinear Auto Regressive with eXogenous inputs (NARX) structure based multiple layer perceptron neural network (MLPNN) model is proposed for the estimation of elbow joint angle and elbow angular velocity. The proposed NARX MLPNN model is trained using Levenberg-marquardt based algorithm. The proposed model is estimating the elbow joint angle and elbow movement angular velocity with appreciable accuracy. The model is validated using regression coefficient value (R). The average regression coefficient value (R) obtained for elbow angular displacement prediction is 0.9641 and for the elbow anglular velocity prediction is 0.9347. The Nonlinear Auto Regressive with eXogenous inputs (NARX) structure based multiple layer perceptron neural networks (MLPNN) model can be used for the estimation of angular displacement and movement angular velocity of the elbow with good accuracy.

Morphological and Genetic Analysis of Four Color Morphs of Bean Leaf Beetle.

PubMed

Tiroesele, Bamphitlhi; Skoda, Steven R; Hunt, Thomas E; Lee, Donald J; Ullah, Muhammad Irfan; Molina-Ochoa, Jaime; Foster, John E

2018-03-01

Bean leaf beetle (BLB), Cerotoma trifurcata (Forster; Coleoptera: Chrysomelidae), exhibits considerable color variation but little is known about the underlying genetic structure and gene flow among color phenotypes. Genetic and morphological variation among four color phenotypes-green with spots (G+S), green without spots (G-S), red with spots (R+S) and red without spots (R-S)-were analyzed using amplified fragment length polymorphisms (AFLP) and morphometrics, respectively. AFLP generated 175 markers that showed ≥80% polymorphism. Analysis of molecular variance (AMOVA) indicated that genetic variation was greatest within phenotypes (82.6-84.0%); gene flow among the four phenotypes was relatively high (Nm = 3.82). The dendrogram and STRUCTURE analysis indicated some population divergence of G-S from the other phenotypes. Morphological parameters were similar among phenotypes except that R+S showed significant differences in weight and body-length. Canonical variables 1 and 2, based on average morphometric characters, accounted for 98% of the total variation; some divergence was indicated between G+S and R+S from each other and from the G-S/R-S BLB color morphs. The pattern of genetic variation indicated potential divergence of G-S and G+S from each other and from R-S and R+S. Although these results indicate that the four different color morphs are not genetically or reproductively isolated, there is some genetic differentiation/structure and morphological dissimilarity suggesting weak/incomplete isolation.

Optimization of a process for high fibre and high protein biscuit.

PubMed

Singh, Parul; Singh, Rakhi; Jha, Alok; Rasane, Prasad; Gautam, Anuj Kumar

2015-03-01

Biscuits are popular and convenient food products due to their ready to eat nature. Biscuits were prepared from sorghum and whole wheat flour with the addition of spirulina (Spirulina platensis) powder to produce high fibre and high protein biscuit. Levels of ingredients in biscuits such as spirulina powder, sorghum flour and guar gum were optimized using response surface methodology (RSM) for its sensory, textural and antioxidant attributes. Sensory attributes as colour intensity (R2 = 0.89, P < 0.0001), flavor (R2 = 0.98, P < 0.0001), sweetness (R2 = 0.97, P < 0.0001), graininess (R2 = 0.99, P < 0.0001), and crispiness (R2 = 0.94, P < 0.0001), textural attributes as hardness (R2 = 0.95, P < 0.0001) and fracturability (R2 = 0.96, P < 0.0001), antioxidant activity as DPPH inhibition (R2 = 0.87, P < 0.0001) and antioxidant activity as ABTS inhibition (R2 = 0.98, P < 0.0001) were significantly related to processing parameters of biscuit. Rheological characteristics (TPA and extensograph) of biscuit dough were measured. Studies indicated that amongst all the processing parameters, the composition of spirulina powder and sorghum flour was found to have significant effect on the responses.

Effects of Prolonged Reading on Dry Eye.

PubMed

Karakus, Sezen; Agrawal, Devika; Hindman, Holly B; Henrich, Claudia; Ramulu, Pradeep Y; Akpek, Esen K

2018-04-25

To demonstrate the effects of prolonged silent reading on tear film and ocular surface parameters. Prospective, observational clinical study. A total of 177 patients with dry eye and 34 normal controls aged 50 years and older. After evaluating symptoms using the Ocular Surface Disease Index (OSDI) questionnaire, the following tests were performed in consecutive order: automated noninvasive tear break-up time (TBUT), surface asymmetry and regularity indices, Schirmer's testing without anesthesia, corneal staining using fluorescein, and conjunctival staining using lissamine green. The participants were then asked to read a 30-minute validated passage silently. The tests were repeated after the reading task. Changes in tear film and ocular surface parameters after reading. All parameters, with the exception of surface asymmetry index, worsened after the reading task in patients with dry eye and in controls. The worsening reached a statistical significance for corneal and conjunctival staining in the dry eye group (P < 0.001) and for corneal staining in the control group (P < 0.01). At baseline, OSDI scores correlated only with corneal and conjunctival staining scores (r = 0.19, P = 0.006 and r = 0.27, P < 0.001). Among postreading measurements, baseline OSDI scores correlated with TBUT (r = -0.15, P = 0.03) in addition to corneal and conjunctival staining (r = 0.25, P < 0.001 and r = 0.22, P = 0.001). Changes in TBUT and Schirmer's test correlated significantly with their respective baseline values (r = -0.61, P < 0.001 and r = -0.44, P < 0.001), indicating that the more unstable the tear film and the lower the aqueous tear secretion, the worse they became after the prolonged reading task. Worsening in corneal staining directly correlated with the baseline conjunctival staining (r = 0.17, P = 0.02) and surface regularity index (r = 0.21, P = 0.01). Evaluating tear film and ocular surface parameters at rest may miss clinical findings brought about by common everyday tasks such as reading, leading to discordance between patient-reported symptoms and clinician-observed signs. Quantifying dry eye after visually straining activities such as prolonged silent reading may help better understand patient symptomatology. Copyright © 2018 American Academy of Ophthalmology. Published by Elsevier Inc. All rights reserved.

Heart rate variability in workers chronically exposed to lead.

PubMed

Gajek, Jacek; Zyśko, Dorota; Chlebda, Ewa

2004-07-01

Lead is a strong neurotoxin. The effects of lead on the activity of the autonomic nervous system, assessed by the use of heart rate variability (HRV) analysis, have not yet been established. To assess the effects of occupational chronic lead exposure on the autonomic nervous system activity. The study group consisted of 22 copper foundry workers (mean age 41.8+/-8.7 years) who had elevated parameters of lead overload and were admitted to the hospital for chelate therapy. The control group consisted of 13 age-matched healthy males. Lead concentration was measured with the use of atomic absorption spectrophotometry, and concentration of free protoporphyrins in erythrocytes (FEP) using a fluorometric method. Each patient underwent 24-hour ambulatory ECG monitoring, and standard short-term as well as long-term HRV parameters were obtained. There were no significant differences between patients and controls in HRV parameters. In the control group, HRV parameters correlated with age. In patients, a significant negative correlation between lead concentration and some short-term HRV parameters calculated during the night was found: SDNN (r=-0.48, p<0.05), TP (r=-0.48, p<0.01) and LF (r=-0.48, p<0.01). In patients, a negative correlation between lead concentration and HFnight/HFday index was found (r=-0.47 p<0.01), whereas in controls this correlation was positive (r=0.66 p<0.05). Overall HRV indices are similar in subjects exposed to lead and in healthy controls. A decrease in the physiological elevation of HF values during the night, together with an increase in lead blood concentration and lack of relationship between age and HRV parameters in workers chronically exposed to lead may suggest disturbances of the autonomic system. In subjects not exposed to lead a decrease in heart rate with an increase in FEP concentration was observed.

Parameters for calcium metabolism in women with polycystic ovary syndrome who undergo clomiphene citrate stimulation: a prospective cohort study.

PubMed

Ott, J; Wattar, L; Kurz, C; Seemann, R; Huber, J C; Mayerhofer, K; Vytiska-Binstorfer, E

2012-05-01

To evaluate whether parameters for calcium metabolism were associated with characteristics of polycystic ovary syndrome (PCOS). A prospective cohort study. Ninety-one anovulatory, infertile women with PCOS patients underwent clomiphene citrate (CC) stimulation. Main outcome measures were parathyroid hormone (PTH); 25-hydroxyvitamin D3 (25OHD3); serum levels of calcium, phosphorus, magnesium, albumin, and total protein; the serum calcium-phosphorus product; LH; FSH; sexual hormone binding globulin; testosterone; and androstenedione. PTH correlated inversely with serum calcium (r=-0.235; P=0.004) and 25OHD3 (r=-0.664; P<0.001), whereas positive correlations were found between PTH and body mass index (BMI; r=0.270; P=0.010) and between PTH and testosterone (r=0.347; P=0.001). After stimulation with 50 mg CC, 57.1% (52/91) developed a follicle, whereas 26.4% (24/91) became pregnant. In a multivariate model to predict both follicle development and pregnancy, BMI and 25OHD3 deficiency were significant predictive parameters. 25OHD3 deficiency was an independent predictive parameter of CC stimulation outcome, in terms of follicle development and pregnancy. Our results suggest a substantial role of vitamin D in PCOS and infertility treatment in these patients.

A special method for analyzing anisotropic nuclear magnetic resonance parameters: Acetonitrile in liquid crystals

NASA Astrophysics Data System (ADS)

Lounila, Juhani; Ala-Korpela, Mika; Jokisaari, Jukka

1990-12-01

A reliable analysis of the nuclear magnetic resonance (NMR) spectral parameters of partially oriented molecules requires the calculation of the effects of the correlation between the molecular vibration and rotation. However, in many cases the information content of the spectral data is not sufficient for an unambiguous determination of all the adjustable parameters involved in such an analysis. The present paper describes a special method to simplify the analysis significantly, so as to make seemingly underdetermined problems solvable. The method is applicable to the molecules which contain segments composed of one or more light bonds attached to a heavier bond. It is applied to the anisotropic couplings Dij of acetonitrile (CH3CN) oriented in various liquid crystals. The analysis leads to the following rα geometry: ∠HCH=109.22°±0.06°, rCH/rCC =0.751±0.002 and rCN/rCC =0.788±0.005. In addition, detailed information on (1) the indirect coupling anisotropies ΔJCC and 2ΔJCN, (2) the 1H and 13C chemical shift anisotropies, (3) the external torques acting on the CH bonds, and (4) the orientational order parameters of the CH3C segment of the acetonitrile molecule is obtained.

The Tooth and Skin Colour Interrelationship across the Different Ethnic Groups

PubMed Central

Haralur, Satheesh B.; Dibas, Ahmed Mohammed; Almelhi, Nabil Abdullah; Al-Qahtani, Dhafer Ali

2014-01-01

Objectives. The purpose of the study was to investigate the relation between skin and tooth colour parameters in various ethnic groups. Materials and Methods. Saudi Arabian, Indian, African, and East Asian ethnic groups of 75 each were included in the study. The tooth colour was determined by spectrophotometer in CIELAB parameters. The skin colour was measured at earlobe, forehead, and malar locations by clinical skin photography. The data was statistically analysed by one-way ANOVA and correlation tests. Results. The “L” vale for the Saudi Arabian group had a strong correlation at earlobe location (r = 0.275), while correlation was found at forehead (r = 0.271) and malar region (r = 0.261) with Indian ethnic group. A strong negative correlation was observed in African ethnic group at all three locations for “L” parameter. The redness value “a” is found to have strong negative linear correlation between the earlobe and tooth for Saudi Arabian (r = −0.240) and Indian ethnic groups (r = −0.268). The “b” showed no correlation with skin location in all groups except positive correlation in African ethnic groups. Conclusions. The strong correlation was found between the skin and tooth colour parameters; hence the skin colour can be used as a guide for artificial tooth selection in edentulous patients. PMID:25101125

The Tooth and Skin Colour Interrelationship across the Different Ethnic Groups.

PubMed

Haralur, Satheesh B; Dibas, Ahmed Mohammed; Almelhi, Nabil Abdullah; Al-Qahtani, Dhafer Ali

2014-01-01

Objectives. The purpose of the study was to investigate the relation between skin and tooth colour parameters in various ethnic groups. Materials and Methods. Saudi Arabian, Indian, African, and East Asian ethnic groups of 75 each were included in the study. The tooth colour was determined by spectrophotometer in CIELAB parameters. The skin colour was measured at earlobe, forehead, and malar locations by clinical skin photography. The data was statistically analysed by one-way ANOVA and correlation tests. Results. The "L" vale for the Saudi Arabian group had a strong correlation at earlobe location (r = 0.275), while correlation was found at forehead (r = 0.271) and malar region (r = 0.261) with Indian ethnic group. A strong negative correlation was observed in African ethnic group at all three locations for "L" parameter. The redness value "a" is found to have strong negative linear correlation between the earlobe and tooth for Saudi Arabian (r = -0.240) and Indian ethnic groups (r = -0.268). The "b" showed no correlation with skin location in all groups except positive correlation in African ethnic groups. Conclusions. The strong correlation was found between the skin and tooth colour parameters; hence the skin colour can be used as a guide for artificial tooth selection in edentulous patients.

Uterine blood flow in sheep and goats during the peri-parturient period assessed by transrectal Doppler sonography.

PubMed

Elmetwally, Mohammed; Bollwein, Heinrich

2017-01-01

The aim of the present study was to evaluate uterine blood flow (UBF) during the postpartum period in small ruminants. The study involved measures of UBF in 5 ewes and 5 goats during the first 4 weeks after parturition. Transrectal quantification of UBF was assessed by determining the diameter (DM), time averaged mean velocity (TAMEAN), blood flow volume (BFV), blood flow acceleration (ACCE) and pulsatility index (PI) in the uterine arteries ipsilateral to the previously gravid uterine horn(s) at Wk 20 of gestation and every 3days from the day of parturition (D 0) until Day 27 postpartum (D 27). The diameters of the uterine arteries decreased (P<0.01) in both species during the postpartum period. The results revealed decreases (P<0.0001) in BFV, ACCE and TAMEAN, while PI increased during the postpartum period in both sheep and goats. Furthermore, there were positive correlations (P<0.05) between blood flow parameters in sheep and goats, respectively (BFV and DM, r=0.62 and 0.58; BFV and ACCE, r=0.32 and 0.26; BFV and TAMEAN, r=0.51 and 0.37). There were negative correlations (P<0.05) between PI and other parameters (PI and BFV, r=-0.39 and -0.36; PI and DM, r=-0.54 and -0.24; PI and ACCE, r=-0.58 and -0.48; and PI and TAMEAN, r=-0.80 and -0.79) in sheep and goats, respectively. Altogether, these results indicate that non-invasive Doppler ultrasound parameters provide important information toward understanding changes in the vasculature and its perfusion of the uterus during the postpartum period in sheep and goats. Copyright © 2016 Elsevier B.V. All rights reserved.

Monte Carlo Based Calibration and Uncertainty Analysis of a Coupled Plant Growth and Hydrological Model

NASA Astrophysics Data System (ADS)

Houska, Tobias; Multsch, Sebastian; Kraft, Philipp; Frede, Hans-Georg; Breuer, Lutz

2014-05-01

Computer simulations are widely used to support decision making and planning in the agriculture sector. On the one hand, many plant growth models use simplified hydrological processes and structures, e.g. by the use of a small number of soil layers or by the application of simple water flow approaches. On the other hand, in many hydrological models plant growth processes are poorly represented. Hence, fully coupled models with a high degree of process representation would allow a more detailed analysis of the dynamic behaviour of the soil-plant interface. We used the Python programming language to couple two of such high process oriented independent models and to calibrate both models simultaneously. The Catchment Modelling Framework (CMF) simulated soil hydrology based on the Richards equation and the Van-Genuchten-Mualem retention curve. CMF was coupled with the Plant growth Modelling Framework (PMF), which predicts plant growth on the basis of radiation use efficiency, degree days, water shortage and dynamic root biomass allocation. The Monte Carlo based Generalised Likelihood Uncertainty Estimation (GLUE) method was applied to parameterize the coupled model and to investigate the related uncertainty of model predictions to it. Overall, 19 model parameters (4 for CMF and 15 for PMF) were analysed through 2 x 106 model runs randomly drawn from an equally distributed parameter space. Three objective functions were used to evaluate the model performance, i.e. coefficient of determination (R2), bias and model efficiency according to Nash Sutcliffe (NSE). The model was applied to three sites with different management in Muencheberg (Germany) for the simulation of winter wheat (Triticum aestivum L.) in a cross-validation experiment. Field observations for model evaluation included soil water content and the dry matters of roots, storages, stems and leaves. Best parameter sets resulted in NSE of 0.57 for the simulation of soil moisture across all three sites. The shape parameter of the retention curve n was highly constrained whilst other parameters of the retention curve showed a large equifinality. The root and storage dry matter observations were predicted with a NSE of 0.94, a low bias of 58.2 kg ha-1 and a high R2 of 0.98. Dry matters of stem and leaves were predicted with less, but still high accuracy (NSE=0.79, bias=221.7 kg ha-1, R2=0.87). We attribute this slightly poorer model performance to missing leaf senescence which is currently not implemented in PMF. The most constrained parameters for the plant growth model were the radiation-use-efficiency and the base temperature. Cross validation helped to identify deficits in the model structure, pointing out the need of including agricultural management options in the coupled model.

Monte Carlo based calibration and uncertainty analysis of a coupled plant growth and hydrological model

NASA Astrophysics Data System (ADS)

Houska, T.; Multsch, S.; Kraft, P.; Frede, H.-G.; Breuer, L.

2013-12-01

Computer simulations are widely used to support decision making and planning in the agriculture sector. On the one hand, many plant growth models use simplified hydrological processes and structures, e.g. by the use of a small number of soil layers or by the application of simple water flow approaches. On the other hand, in many hydrological models plant growth processes are poorly represented. Hence, fully coupled models with a high degree of process representation would allow a more detailed analysis of the dynamic behaviour of the soil-plant interface. We used the Python programming language to couple two of such high process oriented independent models and to calibrate both models simultaneously. The Catchment Modelling Framework (CMF) simulated soil hydrology based on the Richards equation and the van-Genuchten-Mualem retention curve. CMF was coupled with the Plant growth Modelling Framework (PMF), which predicts plant growth on the basis of radiation use efficiency, degree days, water shortage and dynamic root biomass allocation. The Monte Carlo based Generalised Likelihood Uncertainty Estimation (GLUE) method was applied to parameterize the coupled model and to investigate the related uncertainty of model predictions to it. Overall, 19 model parameters (4 for CMF and 15 for PMF) were analysed through 2 × 106 model runs randomly drawn from an equally distributed parameter space. Three objective functions were used to evaluate the model performance, i.e. coefficient of determination (R2), bias and model efficiency according to Nash Sutcliffe (NSE). The model was applied to three sites with different management in Muencheberg (Germany) for the simulation of winter wheat (Triticum aestivum L.) in a cross-validation experiment. Field observations for model evaluation included soil water content and the dry matters of roots, storages, stems and leaves. Best parameter sets resulted in NSE of 0.57 for the simulation of soil moisture across all three sites. The shape parameter of the retention curve n was highly constrained whilst other parameters of the retention curve showed a large equifinality. The root and storage dry matter observations were predicted with a NSE of 0.94, a low bias of -58.2 kg ha-1 and a high R2 of 0.98. Dry matters of stem and leaves were predicted with less, but still high accuracy (NSE = 0.79, bias = 221.7 kg ha-1, R2 = 0.87). We attribute this slightly poorer model performance to missing leaf senescence which is currently not implemented in PMF. The most constrained parameters for the plant growth model were the radiation-use-efficiency and the base temperature. Cross validation helped to identify deficits in the model structure, pointing out the need of including agricultural management options in the coupled model.

Hα3: an Hα imaging survey of HI selected galaxies from ALFALFA. IV. Structure of galaxies in the Local and Coma superclusters

NASA Astrophysics Data System (ADS)

Fossati, M.; Gavazzi, G.; Savorgnan, G.; Fumagalli, M.; Boselli, A.; Gutiérrez, L.; Hernández Toledo, H.; Giovanelli, R.; Haynes, M. P.

2013-05-01

Context. We present the analysis of the galaxy structural parameters from Hα3, an Hα narrow-band imaging follow-up survey of ~800 galaxies selected from the HI Arecibo Legacy Fast ALFA Survey (ALFALFA) in the Local supercluster, including the Virgo cluster, and in the Coma supercluster. Aims: Taking advantage of Hα3, which provides the complete census of the recent star-forming, HI-rich galaxies in the local universe, we aim to investigate the structural parameters of the young (<10 Myr) and the old (>1 Gyr) stellar populations. By comparing the sizes of these stellar components, we investigated the spatial scale on which galaxies are growing at the present cosmological epoch and the role of the environment in quenching the star-formation activity. Methods: We computed the concentration, asymmetry, and clumpiness (CAS) structural parameters for recently born and old stars. To quantify the sizes we computed half-light radii and a new parameter dubbed EW/r based on the half-light radius of the Hα equivalent width map. To highlight the environmental perturbation, we adopt an updated calibration of the HI-deficiency parameter (DefHI) that we use to divide the sample in unperturbed galaxies (DefHI ≤ 0.3) and perturbed galaxies (DefHI > 0.3). Results: The concentration index computed in the r band depends on the stellar mass and on the Hubble type these variables are related because most massive galaxies are bulge dominated therefore highly concentrated. Going toward later spirals and irregulars the concentration index and the mass decrease along with the bulge-to-disk ratio. Blue compact dwarfs (BCDs) are an exception because they have similar mass, but they are more concentrated than dwarf irregulars. The asymmetry and the clumpiness increase along the spiral sequence up to Sc-Sd, but they decrease going in the dwarf regime, where the light distribution is smooth and more symmetric. When measured on Hα images, the CAS parameters show no obvious correlations with Hubble type. Irrespective of whether we used the ratio between effective radii or the EW/r parameter, we found that the concentration index is the main parameter that describes the current growth of isolated galaxies but, for a fixed concentration, the stellar mass plays a second-order role. At the present epoch, massive galaxies are growing inside-out, conversely, the dwarfs are growing on the scale of their already assembled mass. Observations taken at the observatory of San Pedro Martir (Baja California, Mexico), belonging to the Mexican Observatorio Astronómico Nacional.Tables A.1 and A.2 are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/553/A91

The electronic structures of AlN and InN wurtzite nanowires

NASA Astrophysics Data System (ADS)

Xiong, Wen; Li, Dong-Xiao

2017-07-01

We derive the relations between the analogous seven Luttinger-Kohn parameters and six Rashba-Sheka-Pikus parameters for wurtzite semiconductors, which can be used to investigate the electronic structures of some wurtzite semiconductors such as AlN and InN materials, including their low-dimensional structures. As an example, the electronic structures of AlN and InN nanowires are calculated by using the derived relations and six-band effective-mass k · p theory. Interestingly, it is found that the ground hole state of AlN nanowires is always a pure S state whether the radius R is small (1 nm) or large (6 nm), and the ground hole state only contains | Z 〉 Bloch orbital component. Therefore, AlN nanowires is the ideal low-dimensional material for the production of purely linearly polarized π light, unlike ZnO nanowires, which emits plane-polarized σ light. However, the ground hole state of InN nanowires can be tuned from a pure S state to a mixed P state when the radius R is larger than 2.6 nm, which will make the polarized properties of the lowest optical transition changes from linearly polarized π light to plane-polarized σ light. Meanwhile, the valence band structures of InN nanowires will present strong band-crossings when the radius R increases to 6 nm, and through the detail analysis of possible transitions of InN nanowires at the Γ point, we find some of the neighbor optical transitions are almost degenerate, because the spin-orbit splitting energy of InN material is only 0.001 eV. Therefore, it is concluded that the electronic structures and optical properties of InN nanowires present great differences with that of AlN nanowires.

Maxillary arch dimensions associated with acoustic parameters in prepubertal children.

PubMed

Hamdan, Abdul-Latif; Khandakji, Mohannad; Macari, Anthony Tannous

2018-04-18

To evaluate the association between maxillary arch dimensions and fundamental frequency and formants of voice in prepubertal subjects. Thirty-five consecutive prepubertal patients seeking orthodontic treatment were recruited (mean age = 11.41 ± 1.46 years; range, 8 to 13.7 years). Participants with a history of respiratory infection, laryngeal manipulation, dysphonia, congenital facial malformations, or history of orthodontic treatment were excluded. Dental measurements included maxillary arch length, perimeter, depth, and width. Voice parameters comprising fundamental frequency (f0_sustained), Habitual pitch (f0_count), Jitter, Shimmer, and different formant frequencies (F1, F2, F3, and F4) were measured using acoustic analysis prior to initiation of any orthodontic treatment. Pearson's correlation coefficients were used to measure the strength of associations between different dental and voice parameters. Multiple linear regressions were computed for the predictions of different dental measurements. Arch width and arch depth had moderate significant negative correlations with f0 ( r = -0.52; P = .001 and r = -0.39; P = .022, respectively) and with habitual frequency ( r = -0.51; P = .0014 and r = -0.34; P = .04, respectively). Arch depth and arch length were significantly correlated with formant F3 and formant F4, respectively. Predictors of arch depth included frequencies of F3 vowels, with a significant regression equation ( P-value < .001; R 2 = 0.49). Similarly, fundamental frequency f0 and frequencies of formant F3 vowels were predictors of arch width, with a significant regression equation ( P-value < .001; R 2 = 0.37). There is a significant association between arch dimensions, particularly arch length and depth, and voice parameters. The formant most predictive of arch depth and width is the third formant, along with fundamental frequency of voice.

The synthesis and structure of a chiral 1D aluminophosphate chain compound: d-Co(en) 3[AlP 2O 8]·6.5H 2O

NASA Astrophysics Data System (ADS)

Chen, Peng; Li, Jiyang; Yu, Jihong; Wang, Yu; Pan, Qinhe; Xu, Ruren

2005-06-01

A new chiral one-dimensional (1D) aluminophosphate chain compound [ d-Co(en) 3][AlP 2O 8]·6.5H 2O (designated AlPO-CJ22) has been hydrothermally synthesized by using the optically pure d-Co(en) 3I 3 complex as the template. Single-crystal structural analysis reveals that its structure is built up from alternating connection of AlO 4 and PO 2(=O 2) tetrahedra to form corner-shared Al 2P 2 four-membered ring (4-MR) chains. The d-Co(en) 33+ complex cations extended along the 2 1 screw axis interact with the inorganic chains through hydrogen-bonds of N⋯O atoms in a helical fashion. Optical rotation measurement shows that AlPO-CJ22 is chiral as with d-Co(en) 33+ complex cations. Crystal data: orthorhombic, I2 12 12 1, a=8.5573(8) Å, b=22.613(2) Å, c=22.605(2) Å, Z=8, R1=0.067, wR2=0.1291, and Flack parameter: -0.02(3). CCDC number: 254179.

New insights into the effects of irisin levels in HIV-infected subjects: correlation with adiposity, fat-free mass, and strength parameters.

PubMed

Trombeta, Joice Cristina Dos Santos; Prestes, Jonato; Nascimento, Dahan da Cunha; Tibana, Ramires Alsamir; Pereira, Guilherme Borges; Lima, Thiago da Rosa; Fraga, Géssica Alves; Vieira-Junior, Roberto Carlos; Voltarelli, Fabrício Azevedo

2017-01-01

Patients infected with the human immunodeficiency virus (HIV) have an increased risk of metabolic disorders and alterations on irisin levels. Therefore, the purpose of the current investigation was to quantify the circulating irisin concentration in HIV-infected subjects under highly active antiretroviral therapy and to determine possible correlations between irisin levels with fat mass, fat-free mass, body mass index (BMI), and muscle strength. Cross-sectional study of 10 men (36.7 ± 11.3 years) and 10 women (42.5 ± 10.3 years) infected with HIV, recruited from the Specialized Service Center in the State Center of Reference for High and Medium Complexity. Blood samples were collected to determine plasma irisin levels, glucose, HDL, total cholesterol, triglycerides, and LDL. Body composition (fat mass, fat-free mass) and anthropometrics (body mass index; BMI) were measured by bioelectrical impedance. Muscle strength was assessed using a mechanic hand dynamometer and one maximum repetition tests. Irisin levels correlated positively with fat mass (r = 0.67; p = 0.001) and BMI (r = 0.48; p = 0.036). In contrast, there was an inverse correlation between irisin levels and fat-free mass (r = -0.41; p = 0.008) and five strength parameters: right hand grip (r = -0.46; p = 0.044); left hand grip (r = -0.50; p = 0.027), relative hand grip (r = -0.79; p = 0.001), bench press (r = -0.58; p = 0.009), leg press (r = -0.40; p = 0.085), and biceps curl (r = -0.059; p = 0.009). Irisin levels correlated positively with body fat and negatively with fat-free mass and strength parameters in HIV-infected patients. Female patients infected with HIV receiving highly active antiretroviral therapy have higher levels of irisin compared with men in a similar circumstance.

Prediction of Water Quality Parameters Using Statistical Methods: A Case Study in a Specially Protected Area, Ankara, Turkey

NASA Astrophysics Data System (ADS)

Alp, E.; Yücel, Ö.; Özcan, Z.

2014-12-01

Turkey has been making many legal arrangements for sustainable water management during the harmonization process with the European Union. In order to make cost effective and efficient decisions, monitoring network in Turkey has been expanding. However, due to time and budget constraints, desired number of monitoring campaigns can not be carried. Hence, in this study, independent parameters that can be measured easily and quickly are used to estimate water quality parameters in Lake Mogan and Eymir using linear regression. Nonpoint sources are one of the major pollutant components in Eymir and Mogan lakes. In this paper, a correlation between easily measurable parameters, DO, temperature, electrical conductivity, pH, precipitation and dependent variables, TN, TP, COD, Chl-a, TSS, Total Coliform is investigated. Simple regression analysis is performed for each season in Eymir and Mogan lakes by using SPSS Statistical program using the water quality data collected between 2006-2012. Regression analysis demonstrated significant linear relationship between measured and simulated concentrations for TN (R2=0.86), TP (R2=0.85), TSS (R2=0.91), Chl-a (R2=0.94), COD (R2=0.99), T. Coliform (R2=0.97) which are the best results in each season for Eymir and Mogan Lakes. The overall results of this study shows that by using easily measurable parameters even in ungauged situation the water quality of lakes can be predicted. Moreover, the outputs obtained from the regression equations can be used as an input for water quality models such as phosphorus budget model which is used to calculate the required reduction in the external phosphorus load to Lake Mogan to meet the water quality standards.

Galaxy And Mass Assembly (GAMA): M_star - R_e relations of z = 0 bulges, discs and spheroids

NASA Astrophysics Data System (ADS)

Lange, Rebecca; Moffett, Amanda J.; Driver, Simon P.; Robotham, Aaron S. G.; Lagos, Claudia del P.; Kelvin, Lee S.; Conselice, Christopher; Margalef-Bentabol, Berta; Alpaslan, Mehmet; Baldry, Ivan; Bland-Hawthorn, Joss; Bremer, Malcolm; Brough, Sarah; Cluver, Michelle; Colless, Matthew; Davies, Luke J. M.; Häußler, Boris; Holwerda, Benne W.; Hopkins, Andrew M.; Kafle, Prajwal R.; Kennedy, Rebecca; Liske, Jochen; Phillipps, Steven; Popescu, Cristina C.; Taylor, Edward N.; Tuffs, Richard; van Kampen, Eelco; Wright, Angus H.

2016-10-01

We perform automated bulge + disc decomposition on a sample of ˜7500 galaxies from the Galaxy And Mass Assembly (GAMA) survey in the redshift range of 0.002 < z < 0.06 using Structural Investigation of Galaxies via Model Analysis, a wrapper around GALFIT3. To achieve robust profile measurements, we use a novel approach of repeatedly fitting the galaxies, varying the input parameters to sample a large fraction of the input parameter space. Using this method, we reduce the catastrophic failure rate significantly and verify the confidence in the fit independently of χ2. Additionally, using the median of the final fitting values and the 16th and 84th percentile produces more realistic error estimates than those provided by GALFIT, which are known to be underestimated. We use the results of our decompositions to analyse the stellar mass - half-light radius relations of bulges, discs and spheroids. We further investigate the association of components with a parent disc or elliptical relation to provide definite z = 0 disc and spheroid M_star - R_e relations. We conclude by comparing our local disc and spheroid M_star - R_e to simulated data from EAGLE and high-redshift data from Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey-Ultra Deep Survey. We show the potential of using the M_star - R_e relation to study galaxy evolution in both cases but caution that for a fair comparison, all data sets need to be processed and analysed in the same manner.

Synthesis, crystal structure, optical and thermal properties of lanthanide hydrogen-polyphosphates Ln[H(PO3)4] (Ln = Tb, Dy, Ho).

PubMed

Förg, Katharina; Höppe, Henning A

2015-11-28

Lanthanide hydrogen-polyphosphates Ln[H(PO3)4] (Ln = Tb, Dy, Ho) were synthesised as colourless (Ln = Tb, Dy) and light pink (Ln = Ho) crystalline powders by reaction of Tb4O7/Dy2O3/Ho2O3 with H3PO3 at 380 °C. All compounds crystallise isotypically (P2(1)/c (no. 14), Z = 4, a(Tb) = 1368.24(4) pm, b(Tb) = 710.42(2) pm, c(Tb) = 965.79(3) pm, β(Tb) = 101.200(1)°, 3112 data, 160 parameters, wR2 = 0.062, a(Ho) = 1363.34(5) pm, b(Ho) = 709.24(3) pm, c(Ho) = 959.07(4) pm, β(Ho) = 101.055(1)°, 1607 data, 158 parameters, wR2 = 0.058). The crystal structure comprises two different infinite helical chains of corner-sharing phosphate tetrahedra. In-between these chains the lanthanide ions are located, coordinated by seven oxygen atoms belonging to four different polyphosphate chains. Vibrational, UV/Vis and fluorescence spectra of Ln[H(PO3)4] (Ln = Tb, Dy, Ho) as well as Dy[H(PO3)4]:Ln (Ln = Ce, Eu) and the magnetic and thermal behaviour of Tb[H(PO3)4] are reported.

Bionic Design for Mars Sampling Scoop Inspired by Himalayan Marmot Claw

PubMed Central

2016-01-01

Cave animals are often adapted to digging and life underground, with claw toes similar in structure and function to a sampling scoop. In this paper, the clawed toes of the Himalayan marmot were selected as a biological prototype for bionic research. Based on geometric parameter optimization of the clawed toes, a bionic sampling scoop for use on Mars was designed. Using a 3D laser scanner, the point cloud data of the second front claw toe was acquired. Parametric equations and contour curves for the claw were then built with cubic polynomial fitting. We obtained 18 characteristic curve equations for the internal and external contours of the claw. A bionic sampling scoop was designed according to the structural parameters of Curiosity's sampling shovel and the contours of the Himalayan marmot's claw. Verifying test results showed that when the penetration angle was 45° and the sampling speed was 0.33 r/min, the bionic sampling scoops' resistance torque was 49.6% less than that of the prototype sampling scoop. When the penetration angle was 60° and the sampling speed was 0.22 r/min, the resistance torque of the bionic sampling scoop was 28.8% lower than that of the prototype sampling scoop. PMID:28127229

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aad, G.; Abbott, B.; Abdallah, J.

The electroweak production and subsequent decay of single top quarks is determined by the properties of the Wtb vertex. This vertex can be described by the complex parameters of an effective Lagrangian. An analysis of angular distributions of the decay products of single top quarks produced in the t -channel constrains these parameters simultaneously. The analysis described in this paper uses 4.6 fb -1 of proton-proton collision data at √s=7 TeV collected with the ATLAS detector at the LHC. Two parameters are measured simultaneously in this analysis. The fraction f 1 of decays containing transversely polarised W bosons is measuredmore » to be 0.37 ± 0.07 (stat.⊕syst.). The phase δ - between amplitudes for transversely and longitudinally polarised W bosons recoiling against left-handed b-quarks is measured to be -0.014π ± 0.036π (stat.⊕syst.). The correlation in the measurement of these parameters is 0.15. These values result in two-dimensional limits at the 95% confidence level on the ratio of the complex coupling parameters g R and V L, yielding Re[g R /V L] ϵ [-0.36, 0.10] and Im[g R /V L] ϵ [-0.17, 0.23] with a correlation of 0.11. We find the results are in good agreement with the predictions of the Standard Model.« less

Relationships between carapace sizes and plasma major and trace element status in captive hawksbill sea turtles (Eretmochelys imbricata).

PubMed

Suzuki, Kazuyuki; Noda, Jun; Yanagisawa, Makio; Kawazu, Isao; Sera, Kouichiro; Fukui, Daisuke; Asakawa, Mitsuhiko; Yokota, Hiroshi

2012-12-01

The aim of this study was to evaluate the relationships between carapace parameters as indicators of age and plasma elements in 25 captive hawksbill sea turtles. Particle-induced X-ray emission allowed detection of 23 trace and major elements. There were significant but weak correlations between the virtual carapace surface area and plasma bromide (r = -0.552, P<0.01), phosphorus (r = 0.547, P<0.01), lead (r =-0.434, P<0.05) and strontium (r = 0.599, P<0.01), while there were no significant correlations with other elements. These results suggest that major and trace plasma elements in captive sea turtles show almost no variation with carapace parameters, suggesting that the increase in plasma elements seen in wild sea turtles might be the result of marine pollution.

Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction.

PubMed

O'Boyle, Noel M; Palmer, David S; Nigsch, Florian; Mitchell, John Bo

2008-10-29

We present a novel feature selection algorithm, Winnowing Artificial Ant Colony (WAAC), that performs simultaneous feature selection and model parameter optimisation for the development of predictive quantitative structure-property relationship (QSPR) models. The WAAC algorithm is an extension of the modified ant colony algorithm of Shen et al. (J Chem Inf Model 2005, 45: 1024-1029). We test the ability of the algorithm to develop a predictive partial least squares model for the Karthikeyan dataset (J Chem Inf Model 2005, 45: 581-590) of melting point values. We also test its ability to perform feature selection on a support vector machine model for the same dataset. Starting from an initial set of 203 descriptors, the WAAC algorithm selected a PLS model with 68 descriptors which has an RMSE on an external test set of 46.6 degrees C and R2 of 0.51. The number of components chosen for the model was 49, which was close to optimal for this feature selection. The selected SVM model has 28 descriptors (cost of 5, epsilon of 0.21) and an RMSE of 45.1 degrees C and R2 of 0.54. This model outperforms a kNN model (RMSE of 48.3 degrees C, R2 of 0.47) for the same data and has similar performance to a Random Forest model (RMSE of 44.5 degrees C, R2 of 0.55). However it is much less prone to bias at the extremes of the range of melting points as shown by the slope of the line through the residuals: -0.43 for WAAC/SVM, -0.53 for Random Forest. With a careful choice of objective function, the WAAC algorithm can be used to optimise machine learning and regression models that suffer from overfitting. Where model parameters also need to be tuned, as is the case with support vector machine and partial least squares models, it can optimise these simultaneously. The moving probabilities used by the algorithm are easily interpreted in terms of the best and current models of the ants, and the winnowing procedure promotes the removal of irrelevant descriptors.

High-Frequency Ground-Motion Parameters from Weak-Motion Data in the Sicily Channel and Surrounding Regions

NASA Astrophysics Data System (ADS)

D'Amico, Sebastiano; Akinci, Aybige; Pischiutta, Marta

2018-03-01

In this paper we characterize the high frequency (1.0 - 10 Hz) seismic wave crustal attenuation and the source excitation in the Sicily Channel and surrounding regions using background seismicity from weak-motion database. The data set includes 15995 waveforms related to earthquakes having local magnitude ranging from 2.0 to 4.5 recorded between 2006 and 2012. The observed and predicted ground motions form the weak-motion data are evaluated in several narrow frequency bands from 0.25 to 20.0 Hz. The filtered observed peaks are regressed to specify a proper functional form for the regional attenuation, excitation and site specific term separately. The results are then used to calibrate effective theoretical attenuation and source excitation models using the Random Vibration Theory (RVT). In the log-log domain, the regional seismic wave attenuation and the geometrical spreading coefficient are modeled together. The geometrical spreading coefficient, g (r), modeled with a bilinear piecewise functional form and given as g (r) ∝ r-1.0 for the short distances (r < 50 km) and as g (r) ∝ r-0.8 for the larger distances (r < 50 km). A frequency-dependent quality factor, inverse of the seismic attenuation parameter, Q(f) = 160 f/fref 0. 35 (where fref = 1.0 Hz), is combined to the geometrical spreading. The source excitation terms are defined at a selected reference distance with a magnitude independent roll-off spectral parameter, κ 0.04 s and with a Brune stress drop parameter increasing with moment magnitude, from Δσ = 2 MPa for Mw = 2.0 to Δσ = 13 MPa for Mw = 4.5. For events M≤4.5 (being Mwmax = 4.5 available in the dataset) the stress parameters are obtained by correlating the empirical/excitation source spectra with the Brune spectral model as function of magnitude. For the larger magnitudes (Mw>4.5) outside the range available in the calibration dataset where we do not have recorded data, we extrapolate our results through the calibration of the stress parameters of the Brune source spectrum over the Bindi et al. (2011) ground motion prediction equation (GMPE) selected as a reference model (hereafter also ITA10).

Association of melanocortin-4 receptor gene polymorphisms with obesity-related parameters in Malaysian Malays.

PubMed

Apalasamy, Yamunah Devi; Ming, Moy Foong; Rampal, Sanjay; Bulgiba, Awang; Mohamed, Zahurin

2013-01-01

Melanocortin-4 receptor (MC4R) is an important regulator of body weight and energy intake. Genetic polymorphisms of the MC4R gene have been found to be linked to obesity in many recent studies across the globe. This study aimed to examine the effects of MC4R polymorphisms on obesity parameters, Linkage disequilibrium (LD) pattern and haplotypes in Malaysian Malays. The study subjects were 652 Malaysian Malays. Genomic DNA was extracted from buccal swabs. Genotyping was performed using Sequenom MassARRAY® iPLEX platform. Anthropometric and blood lipid profiles were measured. MC4R rs571312 SNP was associated with logBMI (p = 0.008) and systolic blood pressure (p = 0.005), while MC4R rs2229616 SNP was associated with total cholesterol (TC) levels (p = 0.016). The MC4R rs7227255 SNP did not show any association with obesity parameters. The strength of LD of the MC4R gene region is low and the haplotypes were not associated with obesity in Malaysian Malays.

Electron-beam induced amorphization of stishovite: Silicon-coordination change observed using Si K-edge extended electron energy-loss fine structure

NASA Astrophysics Data System (ADS)

van Aken, P. A.; Sharp, T. G.; Seifert, F.

The analysis of the extended energy-loss fine structure (EXELFS) of the Si K-edge for sixfold-coordinated Si in synthetic stishovite and fourfold-coordinated Si in natural α-quartz is reported by using electron energy-loss spectroscopy (EELS) in combination with transmission electron microscopy (TEM). The stishovite Si K-edge EXELFS spectra were measured as a time-dependent series to document irradiation-induced amorphization. The amorphization was also investigated through the change in Si K- and O K-edge energy-loss near edge structure (ELNES). For α-quartz, in contrast to stishovite, electron irradiation-induced vitrification, verified by selected area electron diffraction (SAED), produced no detectable changes of the EXELFS. The Si K-edge EXELFS were analysed with the classical extended X-ray absorption fine structure (EXAFS) treatment and compared to ab initio curve-waved multiple-scattering (MS) calculations of EXAFS spectra for stishovite and α-quartz. Highly accurate information on the local atomic environment of the silicon atoms during the irradiation-induced amorphization of stishovite is obtained from the EXELFS structure parameters (Si-O bond distances, coordination numbers and Debye-Waller factors). The mean Si-O bond distance R and mean Si coordination number N changes from R=0.1775 nm and N=6 for stishovite through a disordered intermediate state (R 0.172 nm and N 5) to R 0.167 nm and N 4.5 for a nearly amorphous state similar to α-quartz (R=0.1609 nm and N=4). During the amorphization process, the Debye-Waller factor (DWF) passes through a maximum value of as it changes from for sixfold to for fourfold coordination of Si. This increase in Debye-Waller factor indicates an increase in mean-square relative displacement (MSRD) between the central silicon atom and its oxygen neighbours that is consistent with the presence of an intermediate structural state with fivefold coordination of Si. The distribution of coordination states can be estimated by modelling the amorphization as a decay process. Using the EXELFS data for amorphization, a new method is developed to derive the relative amounts of Si coordinations in high-pressure minerals with mixed coordination. For the radiation-induced amorphization process of stishovite the formation of a transitory structure with Si largely in fivefold coordination is deduced.

Some Structural Properties of the Mixed Lead-Magnesium Hydroxyapatites

NASA Astrophysics Data System (ADS)

Kaaroud, K.; Ben Moussa, S.; Brigui, N.; Badraoui, B.

2018-02-01

Lead-magnesium hydroxyapatite solid solutions Pb(10- x)Mg x (PO4)6(OH)2 have been prepared via a hydrothermal process. They were characterized by X-ray powder diffraction, Transmission Electron Microscopy (TEM), chemical and IR spectroscopic analyses. The results of the structural refinement indicated that the limits of lead-magnesium solid solutions ( x ≤ 1.5), a regular decrease of the lattice constant a and a preferential magnesium distribution in site S(I). Through the progressive replacement of Pb2+ ( r = 0.133 nm) by the smaller cation Mg2+ ( r = 0.072 nm), all interatomic distances decrease in accordance with the decrease of the cell parameters. According to what could be expected from the coordinance of the metallic sites S(I) (hexacoordination) and S(II) (heptacoordination), the small magnesium cation preferentially occupies the four sites S(I). The results of the TEM analysis confirm the presence of magnesium in the starting solution and reveals the decrease in the average size of crystals. The IR spectra show the presence of the absorption bands characteristic for the apatite structure.

Atomic resolution (0.97 Å) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2

PubMed Central

Sekar, K.; Rajakannan, V.; Gayathri, D.; Velmurugan, D.; Poi, M.-J.; Dauter, M.; Dauter, Z.; Tsai, M.-D.

2005-01-01

The enzyme phospholipase A2 catalyzes the hydrolysis of the sn-2 acyl chain of phospholipids, forming fatty acids and lysophospholipids. The crystal structure of a triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2 in which the lysine residues at positions 53, 56 and 121 are replaced recombinantly by methionines has been determined at atomic resolution (0.97 Å). The crystal is monoclinic (space group P2), with unit-cell parameters a = 36.934, b = 23.863, c = 65.931 Å, β = 101.47°. The structure was solved by molecular replacement and has been refined to a final R factor of 10.6% (R free = 13.4%) using 63 926 unique reflections. The final protein model consists of 123 amino-acid residues, two calcium ions, one chloride ion, 243 water molecules and six 2-methyl-2,4-pentanediol molecules. The surface-loop residues 60–70 are ordered and have clear electron density. PMID:16508077

The effect of gender and age structure on municipal waste generation in Poland.

PubMed

Talalaj, Izabela Anna; Walery, Maria

2015-06-01

In this study the effect of gender and age structure on municipal waste generation was investigated. The data from 10-year period, from 2001 to 2010 year, were taken into consideration. The following parameters of gender and age structure were analyzed: men and woman quantity, female to male ratio, number of working, pre-working and post-working age men/women, number of unemployed men/women. The results have showed a strong correlation of annual per capita waste generation rate with number of unemployed women (r=0.70) and female to male ratio (r=0.81). This indicates that waste generation rate is more depended on ratio of men and women that on quantitative size of each group. Using the regression analysis a model describing the dependence between female to male ratio, number of unemployed woman and waste quantity was determined. The model explains 70% of waste quantity variation. Obtained results can be used both to improve waste management and to a fuller understanding of gender behavior. Copyright © 2015 Elsevier Ltd. All rights reserved.

Gravity Field and Internal Structure of Mercury from MESSENGER

NASA Technical Reports Server (NTRS)

Smith, David E.; Zuber, Maria T.; Phillips, Roger J.; Solomon, Sean C.; Hauck, Steven A., II; Lemoine, Frank G.; Mazarico, Erwan; Neumann, Gregory A.; Peale, Stanton J.; Margot, Jean-Luc;

3D-QSAR analysis of MCD inhibitors by CoMFA and CoMSIA.

PubMed

Pourbasheer, Eslam; Aalizadeh, Reza; Ebadi, Amin; Ganjali, Mohammad Reza

2015-01-01

Three-dimensional quantitative structure-activity relationship was developed for the series of compounds as malonyl-CoA decarboxylase antagonists (MCD) using the CoMFA and CoMSIA methods. The statistical parameters for CoMFA (q(2)=0.558, r(2)=0.841) and CoMSIA (q(2)= 0.615, r(2) = 0.870) models were derived based on 38 compounds as training set in the basis of the selected alignment. The external predictive abilities of the built models were evaluated by using the test set of nine compounds. From obtained results, the CoMSIA method was found to have highly predictive capability in comparison with CoMFA method. Based on the given results by CoMSIA and CoMFA contour maps, some features that can enhance the activity of compounds as MCD antagonists were introduced and used to design new compounds with better inhibition activity.

Relationship between suicide and myocardial infarction with regard to changing physical environmental conditions

NASA Astrophysics Data System (ADS)

Stoupel, Eliahu; Abramson, Eugeny; Sulkes, Jaqueline; Martfel, Joseph; Stein, Nechama; Handelman, Meir; Shimshoni, Michael; Zadka, Pnina; Gabbay, Uri

1995-12-01

In recent years, the possible association of changes in mortality from cardiovascular disease and myocardial infarction (MI) and deaths related to violence and the suicide rate has been repeatedly discussed. This study examined the relationship between cosmic physical changes (solar, geomagnetic and other space activity parameters) and changes in the total number of in-hospital and MI-related deaths and deaths from suicide to determine if a relationship exists between the distribution of total and MI-related deaths with suicide over time; some differences in the serotonergic mechanisms involved in the pathogenesis of MI and suicide were also taken into account. All suicides ( n=2359) registered in the State of Israel from 1981 to 1989 (108 months) were analysed and compared with the total number of deaths ( n=15601) and deaths from MI ( n=1573) in a large university hospital over 180 months (1974 1989). The following were the main features of the Results. (1) Monthly suicide rate was correlated with space proton flux ( r=0.42, P=0.0001) and with geomagnetic activity ( r=-0.22, P=0.03). (2) Total hospital and MI-related deaths were correlated with solar activity parameters ( r=0.35, P<0.001) and radiowave propagation ( r=0.52-0.44, P<0.001), an with proton flux ( r=-0.3 to -0.26, P<0.01). (3) Monthly suicide distribution over 108 months was correlated with MI ( r=-0.33, P=0.0005) and total hospital mortality ( r=-0.22, P=0.024). (4) Gender differences were prominent. We conclude that the monthly distributions of suicides and deaths from MI are adversely related to many environmental physical parameters and negatively correlated with each other.

The correlation of symptoms, pulmonary function tests and exercise testing with high-resolution computed tomography in patients with idiopathic interstitial pneumonia in a tertiary care hospital in South India.

PubMed

Isaac, Barney Thomas Jesudason; Thangakunam, Balamugesh; Cherian, Rekha A; Christopher, Devasahayam Jesudas

2015-01-01

For the follow-up of patients with idiopathic interstitial pneumonias (IIP), it is unclear which parameters of pulmonary function tests (PFT) and exercise testing would correlate best with high-resolution computed tomography (HRCT).. To find out the correlation of symptom scores, PFTs and exercise testing with HRCT scoring in patients diagnosed as idiopathic interstitial pneumonia. Cross-sectional study done in pulmonary medicine outpatients department of a tertiary care hospital in South India. Consecutive patients who were diagnosed as IIP by a standard algorithm were included into the study. Cough and dyspnea were graded for severity and duration. Pulmonary function tests and exercise testing parameters were noted. HRCT was scored based on an alveolar score, an interstitial score and a total score. The HRCT was correlated with each of the clinical and physiologic parameters. Pearson's/Spearman's correlation coefficient was used for the correlation of symptoms and parameters of ABG, PFT and 6MWT with the HRCT scores. A total of 94 patients were included in the study. Cough and dyspnea severity (r = 0.336 and 0.299), FVC (r = -0.48), TLC (r = -0.439) and DLCO and distance saturation product (DSP) (r = -0.368) and lowest saturation (r = -0.324) had significant correlation with total HRCT score. Among these, DLCO, particularly DLCO corrected % of predicted, correlated best with HRCT score (r = -0.721).. Symptoms, PFT and exercise testing had good correlation with HRCT. DLCO corrected % of predicted correlated best with HRCT.

Transport of bisphenol-A in sandy aquifer sediment: Column experiment.

PubMed

Zakari, Sissou; Liu, Hui; Tong, Lei; Wang, Yan; Liu, Jianfeng

2016-02-01

The present paper aims to study the transport behavior of bisphenol-A (BPA) in sandy aquifer so as to provide important parameters for the prediction and control of contaminant plume in aquifer. Miscible displacement experiments were conducted and the breakthrough curves (BTCs) were simulated using HYDRUS-1D software. The effects of pore-water velocity (10-52 cm h(-1)) and initial concentration (2.5-40 mg L(-1)) on the sorption were also investigated. The BTCs of BPA fit the linear first-order non-equilibrium two-site model. The parameters such as partition coefficient (K(d)), the fraction of instantaneous adsorption on "Type-1" sites (F), the first order sorption rate coefficient for the kinetic non-equilibrium (type-2) sites (α), the retardation coefficient (R), and sorption capacity (q(column)) were computed. Results showed that BPA transported 0.11-0.83 m with various pore water velocity in sandy sediment column when water flowed 1 m. The sorption of BPA was mainly caused by the instantaneous surface adsorption as F varied from 0.596 to 0.908. The transport velocity of BPA was affected by pore water velocity (v) and followed the linear equation 1/R = 0.0600 + 0.0110v (r(2) = 0.9724). The parameter K(d) were also closely related to v and followed the equation LnK(d) = 1.0023-0.0482v (r(2) = 0.9690). The sorption capacity was more related to the initial BPA concentration (C0) and followed the linear equation q(column) = 0.265 + 0.253C0 (r(2) = 0.9727). The parameter α was affected by both v and C0 whereas F was not dramatically affected by both. Copyright © 2015 Elsevier Ltd. All rights reserved.

Critical thresholds of liver function parameters for ketosis prediction in dairy cows using receiver operating characteristic (ROC) analysis.

PubMed

Sun, Yuhang; Wang, Bo; Shu, Shi; Zhang, Hongyou; Xu, Chuang; Wu, Ling; Xia, Cheng

2015-01-01

Fatty liver syndrome and ketosis are important metabolic disorders in high-producing cows during early lactation with fatty liver usually preceding ketosis. To date, parameters for early prediction of the risk of ketosis have not been investigated in China. To determine the predictive value of some parameters on the risk of ketosis in China. In a descriptive study, 48 control and 32 ketotic Holstein Friesian cows were randomly selected from one farm with a serum β-hydroxybutyrate (BHBA) concentration of 1.20 mmol/L as cutoff point. The risk prediction thresholds for ketosis were determined by receiver operating characteristic (ROC) analysis. In line with a high BHBA concentration, blood glucose concentration was significantly lower in ketotic cows compared to control animals (2.77 ± 0.24 versus 3.34 ± 0.03 mmol/L; P = 0.02). Thresholds were more than 0.76 mmol/L for nonesterified fatty acids (NEFA, with 65% sensitivity and 92% specificity), more than 104 U/L for aspartate aminotransferase (AST, 74% and 85%, respectively), less than 140 U/L for cholinesterase (CHE, 75% and 59%, respectively), and more than 3.3 µmol/L for total bilirubin (TBIL, 58% and 83%, respectively). There were significant correlations between BHBA and glucose (R = -4.74), or CHE (R = -0.262), BHBA and NEFA (R = 0.520), or AST (R = 0.525), or TBIL (R = 0.278), or direct bilirubin (DBIL, R = 0.348). AST, CHE, TBIL and NEFA may be useful parameters for risk prediction of ketosis. This study might be of value in addressing novel directions for future research on the connection between ketosis and liver dysfunction.

Pure MW Data for v=0-6 of PbI Give Vibrational Spacings and a Full Analytic Potential Energy Function

NASA Astrophysics Data System (ADS)

Yoo, Ji Ho (Chris); Evans, Corey; Walker, Nick; Le Roy, Robert J.

2015-06-01

At last year's ISMS meeting, Zaleski et al. reported new broadband MW spectroscopy measurements of pure rotational transitions in the v=0-6 levels of the ^2Π1/2 ground electronic state of PbI. The analysis presented at that time was a conventional v-level by v-level `band-constant' analysis performed using the PGopher program. That level-by-level PGopher analysis yielded values of B_v, D_v and five spin-splitting parameters for each vibrational level of each isotopologue. Ignoring the spin-splitting information, the B_v and D_v values were used to generate a set of synthetic pure R(0) transitions for each level that were taken to represent the ``mechanical'' information about the molecule contained in these spectra. A standard direct-potential-fit (DPF) analysis was then used to fit these data to an ``Expanded Morse Oscillator'' (EMO) potential function form. The well-depth parameter D_e was fixed at the literature value, while values of the equilibrium distance r_e and three EMO exponent-coefficient expansion `potential shape' parameters are determined from the fits. The best fits to the data yield potentials whose fundamental vibrational spacings are in excellent agreement with experiment together with reliable predictions for the first five overtone energies. D.P. Zaleski, H. Köckert, S.L. Stephens, N. Walker, L.-M. Dickens, and C. Evans, paper RE08 at the 69th International Symposium on Molecular Spectroscopy, University of Illinois (2014). PGopher - a Program for Simulating Rotational Structure, C. M. Western, University of Bristol, http://pgopher.chm.bris.ac.uk DPotFit 2.0: A Computer Program for fitting Diatomic Molecule Spectra to Potential Energy Functions, R.J. Le Roy, J. Seto and Y. Huang, University of Waterloo Chemical Physics Research Report CP-667 (2013); see http://leroy.uwaterloo.ca/programs/. K. Ziebarth, R. Breidohr, O. Shestakov and E.H. Fink, Chem. Phys. Lett. 190, 271 (1992).

[Estimation of Maximum Entrance Skin Dose during Cerebral Angiography].

PubMed

Kawauchi, Satoru; Moritake, Takashi; Hayakawa, Mikito; Hamada, Yusuke; Sakuma, Hideyuki; Yoda, Shogo; Satoh, Masayuki; Sun, Lue; Koguchi, Yasuhiro; Akahane, Keiichi; Chida, Koichi; Matsumaru, Yuji

2015-09-01

Using radio-photoluminescence glass dosimeter, we measured the entrance skin dose (ESD) in 46 cases and analyzed the correlations between maximum ESD and angiographic parameters [total fluoroscopic time (TFT); number of digital subtraction angiography (DSA) frames, air kerma at the interventional reference point (AK), and dose-area product (DAP)] to estimate the maximum ESD in real time. Mean (± standard deviation) maximum ESD, dose of the right lens, and dose of the left lens were 431.2 ± 135.8 mGy, 33.6 ± 15.5 mGy, and 58.5 ± 35.0 mGy, respectively. Correlation coefficients (r) between maximum ESD and TFT, number of DSA frames, AK, and DAP were r=0.379 (P<0.01), r=0.702 (P<0.001), r=0.825 (P<0.001), and r=0.709 (P<0.001), respectively. AK was identified as the most useful parameter for real-time prediction of maximum ESD. This study should contribute to the development of new diagnostic reference levels in our country.

Interrelationships Between 3 Keratoconic Cone Parameters.

PubMed

Tu, Kyaw L; Tourkmani, Abdo K; Srinivas, Singaram

2017-09-01

To find out the interrelationships between 3 parameters of the keratoconic cone. A total of 101 keratoconic eyes of 58 patients were included in this retrospective case series study. A complete eye examination was performed. Kmax (K) and pachymetry at the thinnest point (T) were obtained from the Pentacam tomographer. The vertex to thinnest pachymetry distance (D for decentration) was calculated using trigonometry. Pearson correlation coefficients between T and D, between T and K, and between D and K were calculated. There is a statistically significant positive correlation between thinnest point pachymetry and decentration (R = 0.366, P = 0.0002) and also statistically significant negative correlation between thinnest point pachymetry and Kmax (R = -0.719, P < 0.00001) and decentration and Kmax (R = -0.281, P = 0.0044). The interrelationships between the 3 keratoconic cone parameters suggest that the thinner cones are largely central, that is, decenter less, but show greater steepening.

Internal rotation in halogenated toluenes: Rotational spectrum of 2,3-difluorotoluene

NASA Astrophysics Data System (ADS)

Nair, K. P. Rajappan; Herbers, Sven; Grabow, Jens-Uwe; Lesarri, Alberto

2018-07-01

The microwave rotational spectrum of 2,3-difluorotoluene has been studied by pulsed supersonic jet using Fourier transform microwave spectroscopy. The tunneling splitting due to the methyl internal rotation in the ground torsional state could be unambiguously identified and the three-fold (V3) potential barrier hindering the internal rotation of the methyl top was determined as 2518.70(15) J/mol. The ground-state rotational parameters for the parent and seven 13C isotopic species in natural abundance were determined with high accuracy, including all quartic centrifugal distortion constants. The molecular structure was derived using the substitution (rs) method. From the rotational constants of the different isotopic species the rs structure as well as the r0 structure was determined. Supporting ab initio (MP2) and DFT (B3LYP) calculations provided comparative values for the potential barrier and molecular parameters.

Chlorophyll fluorescence tracks seasonal variations of photosynthesis from leaf to canopy in a temperate forest.

PubMed

Yang, Hualei; Yang, Xi; Zhang, Yongguang; Heskel, Mary A; Lu, Xiaoliang; Munger, J William; Sun, Shucun; Tang, Jianwu

2017-07-01

Accurate estimation of terrestrial gross primary productivity (GPP) remains a challenge despite its importance in the global carbon cycle. Chlorophyll fluorescence (ChlF) has been recently adopted to understand photosynthesis and its response to the environment, particularly with remote sensing data. However, it remains unclear how ChlF and photosynthesis are linked at different spatial scales across the growing season. We examined seasonal relationships between ChlF and photosynthesis at the leaf, canopy, and ecosystem scales and explored how leaf-level ChlF was linked with canopy-scale solar-induced chlorophyll fluorescence (SIF) in a temperate deciduous forest at Harvard Forest, Massachusetts, USA. Our results show that ChlF captured the seasonal variations of photosynthesis with significant linear relationships between ChlF and photosynthesis across the growing season over different spatial scales (R 2  = 0.73, 0.77, and 0.86 at leaf, canopy, and satellite scales, respectively; P < 0.0001). We developed a model to estimate GPP from the tower-based measurement of SIF and leaf-level ChlF parameters. The estimation of GPP from this model agreed well with flux tower observations of GPP (R 2  = 0.68; P < 0.0001), demonstrating the potential of SIF for modeling GPP. At the leaf scale, we found that leaf F q '/F m ', the fraction of absorbed photons that are used for photochemistry for a light-adapted measurement from a pulse amplitude modulation fluorometer, was the best leaf fluorescence parameter to correlate with canopy SIF yield (SIF/APAR, R 2  = 0.79; P < 0.0001). We also found that canopy SIF and SIF-derived GPP (GPP SIF ) were strongly correlated to leaf-level biochemistry and canopy structure, including chlorophyll content (R 2  = 0.65 for canopy GPP SIF and chlorophyll content; P < 0.0001), leaf area index (LAI) (R 2  = 0.35 for canopy GPP SIF and LAI; P < 0.0001), and normalized difference vegetation index (NDVI) (R 2  = 0.36 for canopy GPP SIF and NDVI; P < 0.0001). Our results suggest that ChlF can be a powerful tool to track photosynthetic rates at leaf, canopy, and ecosystem scales. © 2016 John Wiley & Sons Ltd.

Synthesis, crystal structure, and magnetic properties of novel intermetallic compounds R2Co2SiC (R = Pr, Nd).

PubMed

Zhou, Sixuan; Mishra, Trinath; Wang, Man; Shatruk, Michael; Cao, Huibo; Latturner, Susan E

2014-06-16

The intermetallic compounds R2Co2SiC (R = Pr, Nd) were prepared from the reaction of silicon and carbon in either Pr/Co or Nd/Co eutectic flux. These phases crystallize with a new stuffed variant of the W2CoB2 structure type in orthorhombic space group Immm with unit cell parameters a = 3.978(4) Å, b = 6.094(5) Å, c = 8.903(8) Å (Z = 2; R1 = 0.0302) for Nd2Co2SiC. Silicon, cobalt, and carbon atoms form two-dimensional flat sheets, which are separated by puckered layers of rare-earth cations. Magnetic susceptibility measurements indicate that the rare earth cations in both analogues order ferromagnetically at low temperature (TC ≈ 12 K for Nd2Co2SiC and TC ≈ 20 K for Pr2Co2SiC). Single-crystal neutron diffraction data for Nd2Co2SiC indicate that Nd moments initially align ferromagnetically along the c axis around ∼12 K, but below 11 K, they tilt slightly away from the c axis, in the ac plane. Electronic structure calculations confirm the lack of spin polarization for Co 3d moments.

Synthesis of structured triacylglycerols containing caproic acid by lipase-catalyzed acidolysis: optimization by response surface methodology.

PubMed

Zhou, D; Xu, X; Mu, H; Høy, C E; Adler-Nissen, J

2001-12-01

Production in a batch reactor with a solvent-free system of structured triacylglycerols containing short-chain fatty acids by Lipozyme RM IM-catalyzed acidolysis between rapeseed oil and caproic acid was optimized using response surface methodology (RSM). Reaction time (t(r)), substrate ratio (S(r)), enzyme load (E(l), based on substrate), water content (W(c), based on enzyme), and reaction temperature (T(e)), the five most important parameters for the reaction, were chosen for the optimization. The range of each parameter was selected as follows: t(r) = 5-17 h; E(l) = 6-14 wt %; T(e) = 45-65 degrees C; S(r) = 2-6 mol/mol; and W(c) = 2-12 wt %. The biocatalyst was Lipozyme RM IM, in which Rhizomucor miehei lipase is immobilized on a resin. The incorporation of caproic acid into rapeseed oil was the main monitoring response. In addition, the contents of mono-incorporated structured triacylglycerols and di-incorporated structured triacylglycerols were also evaluated. The optimal reaction conditions for the incorporation of caproic acid and the content of di-incorporated structured triacylglycerols were as follows: t(r) = 17 h; S(r) = 5; E(l) = 14 wt %; W(c) = 10 wt %; T(e) = 65 degrees C. At these conditions, products with 55 mol % incorporation of caproic acid and 55 mol % di-incorporated structured triacylglycerols were obtained.

Micro-RNA-21 (biomarker) and global longitudinal strain (functional marker) in detection of myocardial fibrotic burden in severe aortic valve stenosis: a pilot study.

PubMed

Fabiani, Iacopo; Scatena, Cristian; Mazzanti, Chiara Maria; Conte, Lorenzo; Pugliese, Nicola Riccardo; Franceschi, Sara; Lessi, Francesca; Menicagli, Michele; De Martino, Andrea; Pratali, Stefano; Bortolotti, Uberto; Naccarato, Antonio Giuseppe; La Carrubba, Salvatore; Di Bello, Vitantonio

2016-08-27

Myocardial fibrosis (MF) is a deleterious consequence of aortic valve stenosis (AVS). Global longitudinal strain (GLS) is a novel left ventricular (LV) functional parameter potentially useful to non-invasively estimate MF. MicroRNAs (miRNAs) are non-coding small ribonucleic acids (RNA) modulating genes function, mainly through RNA degradation. miRNA-21 is a biomarker associated with MF in pressure overload. The aim of the present study was to find an integrated algorithm for detection of MF using a combined approach with both bio- and functional markers. Thirty-six patients (75.2 ± 8 y.o.; 63 % Female) with severe AVS and preserved LV ejection fraction (EF), candidate to surgical aortic valve replacement (sAVR) were enrolled. Clinical, bio-humoral evaluation (including plasmatic miRNA-21 collected using specific tubes, PAXgene, for stabilization of peripheral RNA) and a complete echocardiographic study, including GLS and septal strain, were performed before sAVR. Twenty-eight of those patients underwent sAVR and, in 23 of them, an inter-ventricular septum biopsy was performed. Tissues were fixed in formalin and embedded in paraffin. Sections were stained with Hematoxylin and Eosin for histological evaluation and with histochemical Masson trichrome for collagen fibers. The different components were calculated and expressed as micrometers(2). To evaluate tissue miRNA components, sections 2-μm thick were cut using a microtome blade for each slide. Regression analysis was performed to test association between dependent variable and various predictors included in the model. Despite a preserved EF (66 ± 11 %), patients presented altered myocardial deformation parameters (GLS -14,02 ± 3.8 %; septal longitudinal strain, SSL -9.63 ± 2.9 %; septal longitudinal strain rate, SL-Sr -0.58 ± 0.17 1/s; Septal Longitudinal early-diastolic strain rate, SL-SrE 0.62 ± 0.32 1/s). The extent of MF showed an inverse association with both GLS and septal longitudinal deformation indices (GLS: R(2) = 0.30; p = 0.02; SSL: R(2) = 0.36; p = 0.01; SL-Sr: R(2) = 0.39; p < 0.001; SL-SrE: R(2) = 0.35; p = 0.001). miRNA-21 was mainly expressed in fibrous tissue (p < 0.0001). A significant association between MF and plasmatic miRNA-21, alone and weighted for measures of structural (LVMi R(2) = 0.50; p = 0.0005) and functional (SSL R(2) = 0.35; p = 0.006) remodeling, was found. In AVS, MF is associated with alterations of regional and global strain. Plasmatic miRNA-21 is directly related to MF and associated with LV structural and functional impairment.

CORRELATION BETWEEN MARKERS OF PERIPHERAL NERVE FUNCTION AND STRUCTURE IN TYPE 1 DIABETES.

PubMed

Borire, Adeniyi A; Issar, Tushar; Kwai, Natalie C; Visser, Leo H; Simon, Neil G; Poynten, Ann M; Kiernan, Matthew C; Krishnan, Arun V

2018-06-01

Clinical and experimental studies in patients with type 1 and type 2 diabetes have demonstrated changes in ion channel function and nerve structure. In this study, we investigated the relationship between axonal dysfunction and morphological change in diabetic polyneuropathy using neuromuscular ultrasound and nerve excitability techniques. We also explored possible differences in this relationship between type 1 and type 2 diabetes. Nerve ultrasound and corresponding motor excitability studies were undertaken in 110 diabetes patients (50 type 1;60 type 2) and 60 age-matched controls (30 for each group). Neuropathy severity was assessed using Total Neuropathy Score. Median and tibial nerve cross-sectional areas were measured at non-entrapment sites using high resolution linear probe. Median and tibial nerve cross-sectional areas were significantly higher in diabetes patients compared to controls: Type1 (Median=7.6±0.2mm 2 vs. 6.3±0.1mm 2 ; Tibial=14.5±0.7mm 2 vs. 10.8±0.3mm 2 ,p<0.05) and Type 2 (Median=9.1±0.3mm 2 vs. 7.2±0.1mm 2 ; Tibial=18.5±1.0mm 2 vs. 12.8±0.5mm 2 ,p<0.05). In the type 1 cohort, significant correlations were found between nerve cross-sectional area and excitability parameters including resting current-threshold slope (Median: r=0.523,p<0.0001; Tibial: r=-0.571,p=0.004) and depolarizing threshold electrotonus at 90-100ms (Median: 0.424,p<0.01; Tibial: r=0.435,p=0.030). In contrast, there was no relationship between excitability values and nerve cross-sectional area in the type 2 cohort. This study has identified correlation between markers of axonal membrane function and structural abnormalities in peripheral nerves of type 1 diabetes patients. The differential relationship in nerve function and structure between Type 1 and Type 2 diabetes provides clinical evidence that different pathophysiological mechanisms underlie the development of neuropathy in these patient groups. This article is protected by copyright. All rights reserved.

Crystal Structure of Cl-Deficient Analogue of Taseqite from Odikhincha Massif

NASA Astrophysics Data System (ADS)

Rastsvetaeva, R. K.; Chukanov, N. V.; Zaitsev, V. A.; Aksenov, S. M.; Viktorova, K. A.

2018-05-01

An eudialyte group mineral, found in pegmatites of the Odikhincha massif (the northern part of the Siberian platform), has been investigated using X-ray diffraction, IR spectroscopy, and Raman spectroscopy. The mineral is characterized by a high strontium content and a low chlorine content. It has a trigonal unit cell with the following parameters: a = 14.2700(6) Å and c = 30.057(1) Å; V = 5300.6(1) Å3; sp. gr. R3 m. The structure has been refined to R = 0.047 in the anisotropic approximation of atomic displacements using 1697 F > 4σ( F). The idealized formula ( Z = 3) was found to be Na12Sr2Ca6Fe 3 2+ Zr3NbSi25O72(OH,O)4Cl(H2O)0.2. The chemical composition and structure of this mineral are close to those of taseqite; however, it differs from the holotype sample by a low chlorine content and peculiarities of cation distribution over basic structure sites. A comparative analysis of strontium-rich eudialytes has revealed their important crystallochemical feature: selective concentration of strontium in the N4 site. Thus, taseqite, along with heterophyllosilicates, may play a role of strontium concentrator in agpaitic pegmatites.

Three-dimensional facial architecture in normodivergent class I Caucasian subjects.

PubMed

Ghoubril, J V; Abou Obeid, F M

2013-06-01

The aims of this study were to (1) define facial architecture in Caucasian patients with normodivergent, skeletal and dental class I using Treil's cephalometric analysis, which is based on computed tomography (CT), and (2) develop a scheme to determine individual balance or normality in relation to linear, angular and volumetric parameters. The CT data of 60 adult subjects were equally divided between both genders. Based on anatomical points located along the trigeminal neuro-matricial facial growth axes, a three-dimensional maxillo-facial architecture was constructed. Volumetric and linear parameters were greater in males (0.000 < p < 0.044) except for the anterior and posterior mandibular width. Sexual dimorphism was not observed with angular parameters. There was no correlation between volumetric and angular parameters. The correlation tests showed that the total volume of the frame increases with infraorbital depth, supraorbital depth, posterior mandibular width and facial height (0.526 < r < 0.777), while it was not associated with the maxillo-orbital width (0.252 < r < 0.389). Total and orbital volumes were more correlated with posterior than with anterior mandibular width. Maxillo-mandibular volume of the frame was more cor-related with orbital depth (0.591 < r < 0.742) than the orbital volume (0.482 < r < 0.589). The results allowed us to establish three-dimensional cephalometric standards, and to replace the tenet of normality, which is a mean value of calculated parameters, by the concept of individual balance among volumetric entities. While sagittal and vertical dimensions affect volumetric changes of the frame, the transverse dimension does not.

Corneal Irregular Astigmatism and Curvature Changes After Small Incision Lenticule Extraction: Three-Year Follow-Up.

PubMed

Sideroudi, Haris; Lazaridis, Apostolos; Messerschmidt-Roth, Anke; Labiris, Georgios; Kozobolis, Vassilios; Sekundo, Walter

2018-04-27

To evaluate the long-term changes in anterior and posterior corneal irregular astigmatism and curvatures after small incision lenticule extraction (SMILE). Fifty eyes of 28 patients underwent SMILE for myopic astigmatism. All procedures were performed using the VisuMax® femtosecond laser. A Scheimpflug camera was used for preoperative and 3-year postoperative tomography. Anterior and posterior corneal Fourier parameters (spherical component, regular astigmatism, asymmetry, and irregularity) and curvature data were evaluated and compared within 2 subgroups according to the magnitude of the refractive correction (low myopia group: spherical equivalent (SEQ) ≥ -6 D; high myopia group: (SEQ) < -6 D). Associations between all studied parameters were examined. Three years postoperatively, an increase in anterior corneal curvatures and Fourier parameters was detected and the results were strongly correlated with the preoperative SEQ, lenticule thickness, and volume. At the posterior cornea, the flattest radius, corneal astigmatism, spherical component, regular astigmatism, and irregularity decreased only in the high myopia group. A correlation was found between changes in posterior astigmatism and changes in anterior radii (R = 0.349, P = 0.014), SEQ (R = 0.396, P = 0.0049), and lenticule thickness (R = -0.414, P = 0.0031). Moreover, changes in posterior corneal irregularity correlated with the changes in anterior and posterior radii (R = -0.3, P = 0.034, and R = 0.449, P = 0.0012, respectively), changes in preoperative SEQ (R = 0.284, P = 0.0477), and lenticule thickness (R = -0.311, P = 0.0298). Three years after SMILE, there was a reduction of posterior astigmatism in high refractive corrections. This could result in undercorrection in high refractive treatments. Total irregularities increased despite the compensatory effect of the posterior corneal surface.

Sperm quality variables as indicators of bull fertility may be breed dependent.

PubMed

Morrell, Jane M; Nongbua, Thanapol; Valeanu, Sabina; Lima Verde, Isabel; Lundstedt-Enkel, Katrin; Edman, Anders; Johannisson, Anders

2017-10-01

A means of discriminating among bulls of high fertility based on sperm quality is needed by breeding centers. The objective of the study was to examine parameters of sperm quality in bulls of known fertility to identify useful indicators of fertility. Frozen semen was available from bulls of known fertility (Viking Genetics, Skara, Sweden): Swedish Red (n=31), Holstein (n=25) and Others (one each of Charolais, Limousin, Blonde, SKB). After thawing, the sperm samples were analyzed for motility (computer assisted sperm analysis), plasma membrane integrity, chromatin integrity, acrosome status, mitochondrial activity and reactive oxygen species. A fertility index score based on the adjusted 56-day non-return rate for >1000 inseminations was available for each bull. Multivariate data analysis (Partial Least Squares Regression and Orthogonal Partial Least Squares Regression) was performed to identify variables related to fertility; Pearson univariate correlations were made on the parameters of interest. Breed of bull affected the relationship of sperm quality variables and fertility index score, as follows: Swedish Red: %DNA Fragmentation Index, r=-0.56, P<0.01; intact plasma membrane, r=0.40, P<0.05; membrane damaged, not acrosome reacted, r=-0.6, P<0.01; Linearity, r=0.37, P<0.05; there was a trend towards significance for Wobble, r=0.34, P=0.08. Holstein: Linearity was significant r=0.46, P<0.05; there was a trend towards significance for Wobble, r=0.45, P=0.08. In conclusion, breed has a greater effect on sperm quality than previously realized; different parameters of sperm quality are needed to indicate potential fertility in different breeds. Copyright © 2017 Elsevier B.V. All rights reserved.

Structure factor and radial distribution function of some liquid lanthanides using charged hard sphere

NASA Astrophysics Data System (ADS)

Patel, H. P.; Sonvane, Y. A.; Thakor, P. B.

2017-05-01

The structure factor S(q) and radial distribution function g(r) play vital role to study the various structural properties like electronic, dynamic, magnetic etc. The present paper deals with the structural studies of foresaid properties using our newly constructed parameter free model potential with the Charged Hard Sphere (CHS) approximation. The local field correction due to Sarkar et al. is used to incorporate exchange and correlation among the conduction electrons in dielectric screening. Here we report the S(q) and g(r) for some liquid lanthanides viz: La, Ce, Pr, Nd and Eu. Present computed results are compared with the available experimental data. Lastly we found that our parameter free model potential successfully explains the structural propertiesof4fliquidlanthanides.

Multicolour CCD surface photometry for E and S0 galaxies in 10 clusters

NASA Astrophysics Data System (ADS)

Jorgensen, Inger; Franx, Marijn; Kjaergaard, Per

1995-04-01

CCD surface photometry for 232 E and S0 galaxies is presented. The galaxies are observed in Gunn r and Johnson B, or Gunn r and g. For 48 of the galaxies surface photometry in Johnson U is also presented. Aperture magnitudes in Gunn nu are derived for half of the galaxies. Galaxies in the following clusters have been observed: Abell 194, Abell 539, Abell 3381, Abell 3574, Abell S639, Abell S753, HydraI (Abell 1060), DC2345-28, Doradus and Grm15. The data are part of our ongoing study of the large-scale motions in the Universe and the physical background for the fundamental plane. We use a full model fitting technique for analysing the CCD images. This gives radial profiles of local surface brightness, colour, ellipticity and position angle. The residuals relative to the elliptical isophotes are described quantitatively by Fourier expansions. Effective radius, mean surface brightness and total magnitude are derived by fitting a de Vaucouleurs r^¼ growth curve. We have derived a characteristic radius r_n similar to the diameter D_n introduced by Dressler et al. The derivation of the effective parameters and of r_n takes the seeing into account. We confirm the results by Saglia et al. that the effects of the seeing can be substantial. Seeing-corrected values of the effective parameters and r_n are also presented for 147 E and S0 galaxies in the Coma cluster. Colours, colour gradients and geometrical parameters are derived. The photometry is internally consistent within 0.016 mag. Comparison with the photoelectric aperture photometry from Burstein et al. shows a mean offset of 0.010 mag with an rms scatter of 0.034 mag. The global photometric parameters are compared with data from Faber et al., Lucey et al. and Lucey & Carter. These comparisons imply that the typical rms errors are as follows - log r_n:+/-0.015 log r_e:+/-0.045 m_T:+/-0.09 mag; _e:+/-0.16 mag. The rms error on the combination log r_e-0.35_e which enters the fundamental plane is +/-0.020. Also, comparisons with data from Saglia et al. are presented. The accuracy of the absolute photometry, as well as the derived parameters, makes the data suitable for our investigations of the fundamental plane and of the large-scale motions in the Universe.

Mutagenicity of drinking water sampled from the Yangtze River and Hanshui River (Wuhan section) and correlations with water quality parameters.

PubMed

Lv, Xuemin; Lu, Yi; Yang, Xiaoming; Dong, Xiaorong; Ma, Kunpeng; Xiao, Sanhua; Wang, Yazhou; Tang, Fei

2015-03-31

A total of 54 water samples were collected during three different hydrologic periods (level period, wet period, and dry period) from Plant A and Plant B (a source for Yangtze River and Hanshui River water, respectively), and several water parameters, such as chemical oxygen demand (COD), turbidity, and total organic carbon (TOC), were simultaneously analyzed. The mutagenicity of the water samples was evaluated using the Ames test with Salmonella typhimurium strains TA98 and TA100. According to the results, the organic compounds in the water were largely frame-shift mutagens, as positive results were found for most of the tests using TA98. All of the finished water samples exhibited stronger mutagenicity than the relative raw and distribution water samples, with water samples collected from Plant B presenting stronger mutagenic strength than those from Plant A. The finished water samples from Plant A displayed a seasonal-dependent variation. Water parameters including COD (r = 0.599, P = 0.009), TOC (r = 0.681, P = 0.02), UV254 (r = 0.711, P = 0.001), and total nitrogen (r = 0.570, P = 0.014) exhibited good correlations with mutagenicity (TA98), at 2.0 L/plate, which bolsters the argument of the importance of using mutagenicity as a new parameter to assess the quality of drinking water.

Mutagenicity of drinking water sampled from the Yangtze River and Hanshui River (Wuhan section) and correlations with water quality parameters

PubMed Central

Lv, Xuemin; Lu, Yi; Yang, Xiaoming; Dong, Xiaorong; Ma, Kunpeng; Xiao, Sanhua; Wang, Yazhou; Tang, Fei

2015-01-01

A total of 54 water samples were collected during three different hydrologic periods (level period, wet period, and dry period) from Plant A and Plant B (a source for Yangtze River and Hanshui River water, respectively), and several water parameters, such as chemical oxygen demand (COD), turbidity, and total organic carbon (TOC), were simultaneously analyzed. The mutagenicity of the water samples was evaluated using the Ames test with Salmonella typhimurium strains TA98 and TA100. According to the results, the organic compounds in the water were largely frame-shift mutagens, as positive results were found for most of the tests using TA98. All of the finished water samples exhibited stronger mutagenicity than the relative raw and distribution water samples, with water samples collected from Plant B presenting stronger mutagenic strength than those from Plant A. The finished water samples from Plant A displayed a seasonal-dependent variation. Water parameters including COD (r = 0.599, P = 0.009), TOC (r = 0.681, P = 0.02), UV254 (r = 0.711, P = 0.001), and total nitrogen (r = 0.570, P = 0.014) exhibited good correlations with mutagenicity (TA98), at 2.0 L/plate, which bolsters the argument of the importance of using mutagenicity as a new parameter to assess the quality of drinking water. PMID:25825837

How much related to skin wrinkles between facial and body site? Age-related changes in skin wrinkle on the knee assessed by skin bioengineering techniques.

PubMed

Yoo, M A; Seo, Y K; Shin, M K; Koh, J S

2016-02-01

Skin aging has been focused the wrinkle on the face than on the body, so most studies have been studied the change in Crow's feet for ages. Only little is known about the age-dependent changes of wrinkles on body sites. The aim of this study was to establish new grading criteria for severity of wrinkles on knees and to investigate the relationship of wrinkle severity with age- and site-dependent. The skin on the knee of 38 healthy Korean female volunteers, divided into two groups young and old, were photographed. Standard photograph for body wrinkle was established (grade 0~7), and then visual assessment, skin wrinkle, and skin elasticity were evaluated on Crow's feet and the knee. We examined for any significant differences and the correlation of skin aging parameters with age and two different sites. Skin wrinkle severity with standard photograph and wrinkle parameters (Ra, Rmax, Rz, and Rv) had a significantly positive correlation with age-dependent on the knee (P < 0.001). Also, skin elastic parameters (R2, R5, R6, R7, and Q1) showed a significant negative correlation with age on the knee (P < 0.001). Skin wrinkle severity with standard photograph was highly correlated with all skin wrinkle parameters and skin elastic parameters (R2, R5, R7, and Q1) on the knee (P < 0.001). In addition, all the skin aging parameters on the knee were significantly correlated with Crow's feet (P < 0.01). Skin aging on the knee had the same tendency as the Crow's feet. This study has shown the new grading criteria of wrinkles on the knee. Skin wrinkle and elasticity on the knee are age-dependent related and aging on the knee is highly related to Crow's feet. Those parameters are using a quantitative method to evaluate body aging. Also, the knee is considered that it could be a suitable site to evaluate body aging. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

The clustering of the SDSS-IV extended Baryon Oscillation Spectroscopic Survey DR14 quasar sample: structure growth rate measurement from the anisotropic quasar power spectrum in the redshift range 0.8 < z < 2.2

NASA Astrophysics Data System (ADS)

Gil-Marín, Héctor; Guy, Julien; Zarrouk, Pauline; Burtin, Etienne; Chuang, Chia-Hsun; Percival, Will J.; Ross, Ashley J.; Ruggeri, Rossana; Tojerio, Rita; Zhao, Gong-Bo; Wang, Yuting; Bautista, Julian; Hou, Jiamin; Sánchez, Ariel G.; Pâris, Isabelle; Baumgarten, Falk; Brownstein, Joel R.; Dawson, Kyle S.; Eftekharzadeh, Sarah; González-Pérez, Violeta; Habib, Salman; Heitmann, Katrin; Myers, Adam D.; Rossi, Graziano; Schneider, Donald P.; Seo, Hee-Jong; Tinker, Jeremy L.; Zhao, Cheng

2018-06-01

We analyse the clustering of the Sloan Digital Sky Survey IV extended Baryon Oscillation Spectroscopic Survey Data Release 14 quasar sample (DR14Q). We measure the redshift space distortions using the power-spectrum monopole, quadrupole, and hexadecapole inferred from 148 659 quasars between redshifts 0.8 and 2.2, covering a total sky footprint of 2112.9 deg2. We constrain the logarithmic growth of structure times the amplitude of dark matter density fluctuations, fσ8, and the Alcock-Paczynski dilation scales that allow constraints to be placed on the angular diameter distance DA(z) and the Hubble H(z) parameter. At the effective redshift of zeff = 1.52, fσ8(zeff) = 0.420 ± 0.076, H(z_eff)=[162± 12] (r_s^fid/r_s) {km s}^{-1} Mpc^{-1}, and D_A(z_eff)=[1.85± 0.11]× 10^3 (r_s/r_s^fid) Mpc, where rs is the comoving sound horizon at the baryon drag epoch and the superscript `fid' stands for its fiducial value. The errors take into account the full error budget, including systematics and statistical contributions. These results are in full agreement with the current Λ-Cold Dark Matter cosmological model inferred from Planck measurements. Finally, we compare our measurements with other eBOSS companion papers and find excellent agreement, demonstrating the consistency and complementarity of the different methods used for analysing the data.

Structural Studies of CH_3SiF_2-X (x = Nco, Cl) by Microwave Spectroscopy

NASA Astrophysics Data System (ADS)

Guirgis, Gamil A.; Gause, Korreda K.; Seifert, Nathan A.; Zaleski, Daniel P.; Pate, Brooks H.; Palmer, Michael H.; Peebles, Rebecca A.; Peebles, Sean A.; Elmuti, Lena F.; Obenchain, Daniel A.

2012-06-01

The structures of CH_3SiF_2-NCO and CH_3SiF_2-Cl have been studied by molecular rotational spectroscopy in the 6.5-18 GHz band. The rotational spectrum was measured by cavity Fourier transform microwave (FTMW) and chirped-pulse FTMW spectroscopy. The experiment targeted the study of CH_3SiF_2-NCO, but CH_3SiF_2-Cl was also observed as an impurity. Due to the dynamic range achieved on these spectra, all isotopologs with natural abundance ≥0.2% were assigned, which includes two doubly-substituted isotopologs for the chloride (29Si/37Cl and 30Si/37Cl). Strategies for obtaining the molecular structure for these two molecules using either a Kraitchman analysis (to obtain a partial substitution structure) or r_0 analysis (with additional constraints on the structure supplied by the theoretical structure) will be discussed. Derived structural parameters for the CH_3-SiF_2-X base structure are the same for the two compounds. The hyperfine and internal rotation effects in the spectra have been analyzed for all isotopologs and the Hamiltonian parameters are in very good agreement with ab initio results. The barriers to methyl group internal rotation for the two compounds 446(50) cm-1 and 463(3) cm-1 and are independent of the isotopic structure of the heavy atom frame.

Dynamic properties in the four-state haploid coupled discrete-time mutation-selection model with an infinite population limit

NASA Astrophysics Data System (ADS)

Lee, Kyu Sang; Gill, Wonpyong

2017-11-01

The dynamic properties, such as the crossing time and time-dependence of the relative density of the four-state haploid coupled discrete-time mutation-selection model, were calculated with the assumption that μ ij = μ ji , where μ ij denotes the mutation rate between the sequence elements, i and j. The crossing time for s = 0 and r 23 = r 42 = 1 in the four-state model became saturated at a large fitness parameter when r 12 > 1, was scaled as a power law in the fitness parameter when r 12 = 1, and diverged when the fitness parameter approached the critical fitness parameter when r 12 < 1, where r ij = μ ij / μ 14.

An antiaging skin care system containing alpha hydroxy acids and vitamins improves the biomechanical parameters of facial skin

PubMed Central

Tran, Diana; Townley, Joshua P; Barnes, Tanya M; Greive, Kerryn A

2015-01-01

Background The demand for antiaging products has dramatically increased in recent years, driven by an aging population seeking to maintain the appearance of youth. This study investigates the effects of an antiaging skin care system containing alpha hydroxy acids (AHAs) in conjunction with vitamins B3, C, and E on the biomechanical parameters of facial skin. Methods Fifty two volunteers followed an antiaging skin care regimen comprising of cleanser, eye cream, day moisturizer, and night moisturizer for 21 days. Wrinkle depth (Ry) and skin roughness (Ra) were measured by skin surface profilometry of the crow’s feet area, and skin elasticity parameters R2 (gross elasticity), R5 (net elasticity), R6 (viscoelastic portion), and R7 (recovery after deformation) were determined for facial skin by cutometer, preapplication and after 7, 14, and 21 days. Volunteers also completed a self-assessment questionnaire. Results Compared to baseline, Ry and Ra significantly improved by 32.5% (P<0.0001) and 42.9% (P<0.0001), respectively, after 21 days of antiaging skin care treatment. These results were observed by the volunteers with 9 out of 10 discerning an improvement in skin texture and smoothness. Compared to baseline, R2 and R5 significantly increased by 15.2% (P<0.0001) and 12.5% (P=0.0449), respectively, while R6 significantly decreased by 17.7% (P<0.0001) after 21 days. R7 increased by 9.7% after 21 days compared to baseline but this was not significant over this time period. Conclusion An antiaging skin care system containing AHAs and vitamins significantly improves the biomechanical parameters of the skin including wrinkles and skin texture, as well as elasticity without significant adverse effects. PMID:25552908

An antiaging skin care system containing alpha hydroxy acids and vitamins improves the biomechanical parameters of facial skin.

PubMed

Tran, Diana; Townley, Joshua P; Barnes, Tanya M; Greive, Kerryn A

2015-01-01

The demand for antiaging products has dramatically increased in recent years, driven by an aging population seeking to maintain the appearance of youth. This study investigates the effects of an antiaging skin care system containing alpha hydroxy acids (AHAs) in conjunction with vitamins B3, C, and E on the biomechanical parameters of facial skin. Fifty two volunteers followed an antiaging skin care regimen comprising of cleanser, eye cream, day moisturizer, and night moisturizer for 21 days. Wrinkle depth (Ry ) and skin roughness (Ra ) were measured by skin surface profilometry of the crow's feet area, and skin elasticity parameters R2 (gross elasticity), R5 (net elasticity), R6 (viscoelastic portion), and R7 (recovery after deformation) were determined for facial skin by cutometer, preapplication and after 7, 14, and 21 days. Volunteers also completed a self-assessment questionnaire. Compared to baseline, Ry and Ra significantly improved by 32.5% (P<0.0001) and 42.9% (P<0.0001), respectively, after 21 days of antiaging skin care treatment. These results were observed by the volunteers with 9 out of 10 discerning an improvement in skin texture and smoothness. Compared to baseline, R2 and R5 significantly increased by 15.2% (P<0.0001) and 12.5% (P=0.0449), respectively, while R6 significantly decreased by 17.7% (P<0.0001) after 21 days. R7 increased by 9.7% after 21 days compared to baseline but this was not significant over this time period. An antiaging skin care system containing AHAs and vitamins significantly improves the biomechanical parameters of the skin including wrinkles and skin texture, as well as elasticity without significant adverse effects.

Measurement of charged jet production cross sections and nuclear modification in p–Pb collisions at s NN = 5.02  TeV

DOE PAGES

Adam, J.

2015-07-26

Charged jet production cross sections in p-Pb collisions at √s(NN) = 5.02 TeV measured with the ALICE detector at the LHC are presented. Using the anti-k T algorithm, jets have been reconstructed in the central rapidity region from charged particles with resolution parameters R = 0.2 and R = 0.4. The reconstructed jets have been corrected for detector effects and the underlying event background. To calculate the nuclear modification factor, R- pPb, of charged jets in p-Pb collisions, a pp reference was constructed by scaling previously measured charged jet spectra at √s = 7 TeV. In the transverse momentum rangemore » 20 ≤ p T, ch jet ≤ 120 GeV/c, R- pPb is found to be consistent with unity, indicating the absence of strong nuclear matter effects on jet production. Major modifications to the radial jet structure are probed via the ratio of jet production cross sections reconstructed with the two different resolution parameters. In conclusion, this ratio is found to be similar to the measurement in pp collisions at √s = 7 TeV and to the expectations from PYTHIA pp simulations and NLO pQCD calculations at √s(NN) = 5.02 TeV.« less

A Quantitative Structure-Property Relationship (QSPR) Study of Aliphatic Alcohols by the Method of Dividing the Molecular Structure into Substructure

PubMed Central

Liu, Fengping; Cao, Chenzhong; Cheng, Bin

2011-01-01

A quantitative structure–property relationship (QSPR) analysis of aliphatic alcohols is presented. Four physicochemical properties were studied: boiling point (BP), n-octanol–water partition coefficient (lg POW), water solubility (lg W) and the chromatographic retention indices (RI) on different polar stationary phases. In order to investigate the quantitative structure–property relationship of aliphatic alcohols, the molecular structure ROH is divided into two parts, R and OH to generate structural parameter. It was proposed that the property is affected by three main factors for aliphatic alcohols, alkyl group R, substituted group OH, and interaction between R and OH. On the basis of the polarizability effect index (PEI), previously developed by Cao, the novel molecular polarizability effect index (MPEI) combined with odd-even index (OEI), the sum eigenvalues of bond-connecting matrix (SX1CH) previously developed in our team, were used to predict the property of aliphatic alcohols. The sets of molecular descriptors were derived directly from the structure of the compounds based on graph theory. QSPR models were generated using only calculated descriptors and multiple linear regression techniques. These QSPR models showed high values of multiple correlation coefficient (R > 0.99) and Fisher-ratio statistics. The leave-one-out cross-validation demonstrated the final models to be statistically significant and reliable. PMID:21731451

Volumetric dynamic oxygen-enhanced MRI (OE-MRI): comparison with CT Brody score and lung function in cystic fibrosis patients.

PubMed

Martini, K; Gygax, C M; Benden, C; Morgan, A R; Parker, G J M; Frauenfelder, T

2018-04-13

To demonstrate, in patients with cystic fibrosis (CF), the correlation between three-dimensional dynamic oxygen-enhanced magnetic resonance imaging (OE-MRI) measurements and computed tomography Brody score (CF-CT) and lung function testing (LFT). Twenty-one patients (median age, 25 years; female, n = 8) with a range of CF lung disease and five healthy volunteers (median age, 31 years; female, n = 2) underwent OE-MRI performed on a 1.5-T MRI scanner. Coronal volumes were acquired while patients alternately breathed room air and 100% oxygen. Pre-oxygen T 1 was measured. Dynamic series of T 1 -weighted volumes were then obtained while breathing oxygen. T 1 -parameter maps were generated and the following OE-MRI parameters were measured: oxygen uptake (ΔPO 2max ), wash-in time and wash-out time. High-resolution CT and LFT were performed. The relationship between CF-CT, LFT and OE-MRI parameters were evaluated using Pearson correlation for the whole lung and regionally. Mean CF-CT was 24.1±17.1. Mean ΔPO 2max and mean wash-in as well as skewness of wash-out showed significant correlation with CF-CT (ΔPO 2max : r = -0.741, p < 0.001; mean wash-in: r = 0.501, p = 0.017; skewness of wash-out: r = 0.597, p = 0.001). There was significant correlation for the whole lung and regionally between LFT parameters and OE-MR (ΔPO 2max : r = 0.718, p < 0.001; wash-in: r = -0.576, p = 0.003; wash-out skewness: r = -0.552, p = 0.004). Functional lung imaging using OE-MRI has the capability to assess the severity of CF lung disease and shows a significant correlation with LFT and CF-CT. • Oxygen-enhanced MRI might play a future role in evaluation and follow-up of cystic fibrosis. • Heterogeneity of parameter maps reflects localised functional impairment in cystic fibrosis. • Avoidance of cumulative radiation burden in CF is feasible using OE-MRI.

Airborne remote sensing in precision viticolture: assessment of quality and quantity vineyard production using multispectral imagery: a case study in Velletri, Rome surroundings (central Italy)

NASA Astrophysics Data System (ADS)

Tramontana, Gianluca; Papale, Dario; Girard, Filippo; Belli, Claudio; Pietromarchi, Paolo; Tiberi, Domenico; Comandini, Maria C.

2009-09-01

During 2008 an experimental study aimed to investigate the capabilities of a new Airborne Remote sensing platform as an aid in precision viticulture was conducted. The study was carried out on 2 areas located in the town of Velletri, near Rome; the acquisitions were conducted on 07-08-2008 and on 09-09-2008, using ASPIS (Advanced Spectroscopic Imager System) the new airborne multispectral sensor, capable to acquire 12 narrow spectral bands (10 nm) located in the visible and near-infrared region. Several vegetation indices, for a total of 22 independent variables, were tested for the estimation of different oenological parameters. Anova test showed that several oenochemical parameters, such as sugars and acidity, differ according to the variety taken into consideration. The remotely sensed data were significantly correlated with the following oenochemical parameters: Leaf Surface Exposed (SFE) (correlation coefficient R2 ~ 0.8), wood pruning (R2 ~ 0.8), reducing sugars (R2 ~ 0.6 and Root Mean Square Error ~ 5g/l), total acidity (R2 ~ 0.6 and RMSE ~ 0.5 g/l), polyphenols (R2~ 0.9) and anthocyanins content (R2 ~ 0.89) in order to provide "prescriptives" thematic maps related to the oenological variables of interest, the relationships previously carried out have been applied to the vegetation indices.

X-Ray study of hetero ring flexibility in norbornane, norbornene-fused 1,3-oxazin-2-thiones Structure of 5,8-methano- r-4-phenyl-c-4a, c-5,6,7, c-8, c- 8a-hexahydro-4H- 1 ,3-benzoxazin-2 (3H)-thione

NASA Astrophysics Data System (ADS)

Kálmán, A.; Argay, Gy.; Stájer, G.; Bernáth, G.

1991-08-01

The structure of S,8-methano- r-4-phenyl c4a, c5,6,7 c8 c8ahexahydro4 H 1,3 -benzoxazin- 2 (3 H)-thione (C 15H 17N0S, M r=259.37) has been established by X-ray crystallography from diffractometer data: it crystallizes in the monoclinic space group P2 1/n with a=6.150(2) Å, b=9.655(1) Å, c=22.093(4) Å,β=96.75(2)† V=1302.7(8) Å 3,4,D c=1.32gcm -3and p( Cu K) =20.4cm -. The structure has been solved by direct methods, refined to R=0.050 for 2193 observed reflections. The X-ray analysis substantiated the structure: the NMR spectra in- dicated that the 4-phenyl group assumes an exo-equatorial position. The puckering parameters of D. Cremer, J.A. Pople, J. Am. Chem. Soc., 97 (1975), 1354 (ref.1), of the distorted hetero ring (a transitional form between E 4-envelope, ( 5S 4-screw-boat) show that, depending on the positions of the hetero atoms, both the norbornane, norbornene skeletons markedly alter the characteristic transitional ( 5E/ 5H 6) shape of the 1,3-oxazine ring observed in other saturated, partly saturated l,3-benzoxazin-2-ones, analogous thiones.

Effects of the nanoplasma on the energetics of Coulomb explosion of molecular clusters in ultraintense laser fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Last, Isidore; Jortner, Joshua

We report on theoretical and computational studies of electron and nuclear energies in the Coulomb explosion of (D{sub 2}){sub n/2} clusters (n=250-33 000, cluster radius R{sub 0}=11 A-55 A) coupled to ultraintense Gaussian laser fields (laser peak intensities I{sub M}=10{sup 15}-10{sup 18} W cm{sup -2}, pulse widths {tau}=25-50 fs, and frequency {nu}=0.35 fs{sup -1}). Molecular dynamics simulations were fit by semiempirical relations for the average E{sub av} and maximal E{sub M} ion energies and for their dependence on the cluster radius (R{sub 0}) and on the laser parameters. This revealed two kinds of Coulomb explosion domains separated by the bordermore » radius R{sub 0}{sup (I)}, which marks complete cluster outer ionization and which depends on I{sub M} and {tau}, (i) the cluster vertical ionization (CVI) domain (R{sub 0}R{sub 0}{sup (I)}), which prevails at lower laser intensities over a broad region of cluster sizes (i.e., at I{sub M}=10{sup 15} W cm{sup -2}, R{sub 0}>R{sub 0}{sup (I)}=6.2 A for {tau}=25 fs, and R{sub 0}>R{sub 0}{sup (I)}=9.5 A for {tau}=50 fs). The effects of the persistent nanoplasma on Coulomb explosion in the non-CVI domain are manifested by a distinct cluster size dependence, i.e., E{sub av}{proportional_to}R{sub 0}{sup {eta}} ({eta}=0) and E{sub M}{proportional_to}R{sub 0}{sup {eta}} ({eta}=1) for R{sub 0}>(2.0-2.5)R{sub 0}{sup (I)}, and by a bimodal distribution of the ion kinetic energies. The energetics of Coulomb explosion in the non-CVI domain and its dependence (or independence) on the cluster size and laser parameters was semiquantitatively described by a cold nanoplasma model, which is based on a lychee configuration of the cluster charge, and which induces Coulomb explosion in the presence of the persistent nanoplasma. The results of our analyses are general for the cluster size dependence of the energetics of Coulomb explosion of multicharged elemental and molecular Xe{sub n}, (CH{sub 4}){sub n}, and (DI){sub n} clusters in the non-CVI domain.« less

Nuchal Skinfold Thickness: A Novel Parameter for Assessment of Body Composition in Childhood Craniopharyngioma

PubMed Central

Sterkenburg, Anthe S.; Hoffmann, Anika; Reichel, Julia; Lohle, Kristin; Eveslage, Maria; Warmuth-Metz, Monika

2016-01-01

Context: Hypothalamic obesity, cardiovascular disease (CVD), and relapse/progression have a major impact on prognosis in childhood-onset craniopharyngioma (CP). We analyzed nuchal skinfold thickness (NST) on magnetic resonance imaging performed for follow-up monitoring as a novel parameter for body composition (BC) and CVD in CP. Objective: The objective of the study was to identify the association of NST with body mass index (BMI), waist to height ratio (WHtR), functional capacity, and blood pressure (BP) in CP and controls. Design: This was a cross-sectional and longitudinal prospective study in CP patients. Setting: The study was conducted at HIT-Endo, KRANIOPHARYNGEOM 2000/2007. Patients: Participants included 94 CP patients and 75 controls. Interventions: There were no interventions. Main Outcome Measures: Association of NST with BC and BP in 43 CP and 43 controls was measured. Results: NST correlated with BMI SD score (SDS; r = 0.78; P < .001; n = 169) and WHtR (r = 0.85; P < .001; n = 86) in the total cohort and CP patients (NST-BMI SDS: r = 0.77, P < .001, n = 94); NST-WHtR: r = 0.835, P < .001, n=43) and controls (NST-BMI SDS: r = 0.792, P < .001, n = 75; NST-WHtR: r = 0.671, P < .001, n = 43). In CP, systolic BP correlated with NST (r = 0.575, P < .001), BMI SDS (r = 0.434, P = .004), and WHtR (r = 0.386, P = .011). Similar results were observed for diastolic BP in CP. In multivariate analyses, NST had a predictive value for hypertension in postpubertal CP and controls (odds ratio 6.98, 95% confidence interval [1.65, 29.5], P = .008). During a longitudinal follow-up, changes in NST correlated with changes in BMI SDS (P < .001) and WHtR (P = .01) but not with changes in BP and functional capacity. Conclusions: Because monitoring of magnetic resonance imaging and BC is essential for follow-up in CP, NST could serve as a novel and clinically relevant parameter for longitudinal assessment of BC and CVD risk in CP. PMID:27680877

The simulation and improved design of tunable channel drop filter using hexagonal photonic crystal ring resonator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chhipa, Mayur Kumar, E-mail: mayurchhipa1@gmail.com

2014-10-15

In this paper, we have proposed a new design of tunable two dimensional (2D) photonic crystal (PhC) channel drop filter (CDF) using ring resonators. The increasing interest in photonic integrated circuits (PIC's) and the increasing use of all-optical fiber networks as backbones for global communication systems have been based in large part on the extremely wide optical transmission bandwidth provided by dielectric materials. Based on the analysis we present novel photonic crystal channel drop filters. Simulations demonstrate that these filters exhibit ideal transfer characteristics. Channel dropping filters (CDF's) that access one channel of a wavelength division multiplexed (WDM) signal whilemore » leaving other channels undisturbed are essential components of PIC's and optical communication systems. In this paper we have investigated such parameters which have an effect on resonant wavelength in this Channel Drop Filter, such as dielectric constant of inner, coupling, adjacent and whole rods of the structure. The dimensions of these structures are taken as 20a×19a and the area of the proposed structure is about 125.6μm{sup 2}; therefore this structure can be used in the future photonic integrated circuits. While using this design the dropping efficiency at the resonance of single ring are 100%. The spectrum of the power transmission is obtained with finite difference time domain (FDTD) method. FDTD method is the most famous method for PhC analysis. In this paper the dielectric rods have a dielectric constant of 10.65, so the refractive index is 3.26 and radius r=0.213a is located in air, where a is a lattice constant. In this we have used five scatter rods for obtaining more coupling efficiency; radius of scatter rods is set to 0.215a. The proposed structure is simulated with OptiFDTD.v.8.0 software, the different dielectric constant of rods equal to ε{sub r}−0.4, ε{sub r} and ε{sub r}+0.4 at wavelength of 1570 nm.« less

Theoretical study of local structure for Ni2+ ions at tetragonal sites in K2ZnF4:Ni2+ system.

PubMed

Wang, Su-Juan; Kuang, Xiao-Yu; Lu, Cheng

2008-12-15

A theoretical method for studying the local lattice structure of Ni2+ ions in (NiF6)(4-) coordination complex is presented. Using the ligand-field model, the formulas relating the microscopic spin Hamiltonian parameters with the crystal structure parameters are derived. Based on the theoretical formulas, the 45 x 45 complete energy matrices for d8 (d2) configuration ions in a tetragonal ligand-field are constructed. By diagonalizing the complete energy matrices, the local distortion structure parameters (R perpendicular and R || ) of Ni2+ ions in K2ZnF4:Ni2+ system have been investigated. The theoretical results are accorded well with the experimental values. Moreover, to understand the detailed physical and chemical properties of the fluoroperovskite crystals, the theoretical values of the g factor of K2ZnF4:Ni2+ system at 78 and 290 K are reported first.

Polymorphism of the hydroxide perovskite Ga(OH)3 and possible proton-driven transformational behaviour

NASA Astrophysics Data System (ADS)

Welch, M. D.; Kleppe, A. K.

2016-07-01

The crystal structure of hydroxide perovskite Ga(OH)3, the mineral söhngeite, has been determined for a natural sample by single-crystal XRD in space group P42/ nmc to R 1 = 0.031, wR 2 = 0.071, GoF = 1.208, and for comparison also in space group P42/ n to R 1 = 0.031, wR 2 = 0.073, GoF = 1.076. Unit cell parameters are a = 7.4546(2) Å, c = 7.3915(2) Å, V = 410.75(2) Å3. The two structures are very similar and both have tilt system a + a + c -. The approximate positions of all H atoms in each structure have been refined. In the P42/ nmc structure all five H sites are half-occupied, whereas in the P42/ n structure four sites are half-occupied and one is fully occupied. The presence of five non-equivalent OH groups in söhngeite is confirmed by single-crystal Raman spectroscopy, but does not allow a choice between these two space groups to be made. There is only a single very weak violator of the c-glide of P42/ nmc and the two refined structures are essentially the same, but are significantly different from that of the original description in which orthorhombic space group Pmn21 was reported with corresponding tilt system a 0 a 0 c +. It is argued here that such a structure is very implausible for a hydroxide perovskite. On heating söhngeite to 423 K, transformation to a cubic structure with Imbar{3} symmetry ( a + a + a +) of the aristotype occurs. This cubic phase was recovered on cooling to 293 K without back-transformation to the tetragonal polymorph. As there is no continuous group/subgroup pathway from P42/ nmc (or P42/ n) to Imbar{3}, the transformation must be first-order, which is consistent with the large hysteresis observed. The change from the tetragonal to cubic structures involves a change in tilt system a + a + c - → a + a + a +, with a significant reconfiguration of hydrogen-bonding topology. The very different tilt systems and hydrogen-bonding configurations of the two polymorphs are responsible for hysteresis and metastable preservation of the cubic phase at 293 K. As the Ga(OH)6 octahedra of the low- and high- T polymorphs are very similar it is inferred that the transformation is driven by proton behaviour, presumably involving proton re-ordering.

A Study of 2-Iodobutane by Rotational Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arsenault, Eric A.; Obenchain, Daniel A.; Choi, Yoon Jeong

2016-09-15

The rotational transitions belonging to 2-iodobutane (sec-butyl-iodide, CH3CHICH2CH3) have been measured over the frequency range 5.5-16.5 GHz via jet-pulsed Fourier transform microwave (FTMW) spectroscopy. The complete nuclear quadrupole coupling tensor of iodine, ¬, has been obtained for the gauche (g)-, anti (a)-, and gauche0 (g0)-conformers, as well as the four 13C isotopologues of the gauche species. Rotational constants, centrifugal distortion constants, quadrupole coupling constants, and nuclear spin-rotation constants were determined for each species. Changes in the ¬ of the iodine nucleus, resulting from conformational and isotopic dierences, will be discussed. Isotopic substitution of g-2-iodobutane allowed for a rs structure tomore » be determined for the carbon backbone. Additionally, isotopic substitution, in conjunction with an ab initio structure, allowed for a t of various r0 structural parameters belonging to g-2-iodobutane.« less

Associations between plasma branched-chain amino acids, β-aminoisobutyric acid and body composition.

PubMed

Rietman, Annemarie; Stanley, Takara L; Clish, Clary; Mootha, Vamsi; Mensink, Marco; Grinspoon, Steven K; Makimura, Hideo

2016-01-01

Plasma branched-chain amino acids (BCAA) are elevated in obesity and associated with increased cardiometabolic risk. β-Aminoisobutyric acid (B-AIBA), a recently identified small molecule metabolite, is associated with decreased cardiometabolic risk. Therefore, we investigated the association of BCAA and B-AIBA with each other and with detailed body composition parameters, including abdominal visceral adipose tissue (VAT) and subcutaneous adipose tissue (SAT). A cross-sectional study was carried out with lean (n 15) and obese (n 33) men and women. Detailed metabolic evaluations, including measures of body composition, insulin sensitivity and plasma metabolomics were completed. Plasma BCAA were higher (1·6 (se 0·08) (×10(7)) v. 1·3 (se 0·06) (×10(7)) arbitrary units; P = 0·005) in obese v. lean subjects. BCAA were positively associated with VAT (R 0·49; P = 0·0006) and trended to an association with SAT (R 0·29; P = 0·052). The association between BCAA and VAT, but not SAT, remained significant after controlling for age, sex and race on multivariate modelling (P < 0·05). BCAA were also associated with parameters of insulin sensitivity (Matsuda index: R -0·50, P = 0·0004; glucose AUC: R 0·53, P < 0·001). BCAA were not associated with B-AIBA (R -0·04; P = 0·79). B-AIBA was negatively associated with SAT (R -0·37; P = 0·01) but only trended to an association with VAT (R 0·27; P = 0·07). However, neither relationship remained significant after multivariate modelling (P > 0·05). Plasma B-AIBA was associated with parameters of insulin sensitivity (Matsuda index R 0·36, P = 0·01; glucose AUC: R -0·30, P = 0·04). Plasma BCAA levels were positively correlated with VAT and markers of insulin resistance. The results suggest a possible complex role of adipose tissue in BCAA homeostasis and insulin resistance.

Dynamics of Concomitant Functional Mitral Regurgitation in Patients with Aortic Stenosis Undergoing TAVI

PubMed Central

Sahinarslan, Asife; Vecchio, Francesco; MacCarthy, Philip; Dworakowski, Rafal; Deshpande, Ranjit; Wendler, Olaf; Monaghan, Mark

2016-01-01

Background The aim of this study was to investigate the echocardiographic features of functional mitral regurgitation (MR) in patients with aortic stenosis (AS) pre- and post-trans catheter aortic valve implantation (TAVI). Methods The study subjects consisted of 79 patients with severe AS, who underwent TAVI. The echocardiographic parameters related to MR severity prior to TAVI and the change in these parameters and MR severity within one month after implantation were retrospectively evaluated. Results The mean left ventricular ejection fraction (LVEF) was 53 ± 12%, and the mean MR severity was 1.2 ± 0.7. Among the baseline parameters, age (p = 0.019, r = 0.264), LV mass (p = 0.017, r = 0.269), deceleration time (DT) (p = 0.019, r = -0.266), left atrial diameter (p = 0.003, r = 0.325), were related to pre-procedure MR severity. After TAVI, the grade of MR (1.2 ± 0.7 vs. 0.8 ± 0.6, p < 0.001) and MR duration (43 ± 19% vs. 31 ± 23%, p < 0.001) were significantly decreased. The grade of pre-procedural MR (p < 0.001) was a predictor of residual MR after TAVI. However, there was not a significant change in the left ventricular echocardiographic parameters after TAVI [LVEF (53 ± 12 vs. 52 ± 11, p = 0.285), and LV mass (302 ± 84 vs. 306 ± 76 g, p = 0.495)]. Conclusions In patients with severe AS, functional MR is related to age, LV mass, DT and left atrial diameter. TAVI improves MR in these patients, even before LV remodelling occurs. PMID:27471361

Systolic blood pressure but not electrocardiogram QRS duration is associated with heart rate variability (HRV): a cross-sectional study in rural Australian non-diabetics.

PubMed

Lee, Yvonne Yin Leng; Jelinek, Herbert F; McLachlan, Craig S

2017-01-01

A positive correlation between ECG derived QRS duration and heart rate variability (HRV) parameters had previously been reported in young healthy adults. We note this study used a narrow QRS duration range, and did not adjust for systolic blood pressure. Our aims are to investigate associations between systolic blood pressure (SBP), QRS duration and HRV in a rural aging population. A retrospective cross sectional population was obtained from the CSU Diabetes Screening Research Initiative data base where 200 participants had no diabetes or pre-diabetes. SBP data were matched with ECG derived QRS duration and HRV parameters. HRV parameters were calculated from R-R intervals. Resting 12-lead electrocardiograms were obtained from each subject using a Welch Allyn PC-Based ECG system. Pearson correlation analysis revealed no statistically significant associations between HRV parameters and QRS duration. No significant mean differences in HRV parameter subgroups across defined QRS cut-offs were found. SBP > 146 mmHg was associated with increasing QRS durations, however this association disappeared once models were adjusted for age and gender. SBP was also significantly associated with a number of HRV parameters using Pearson correlation analysis, including high frequency (HF) ( p  < 0.05), HFln ( p  < 0.02), RMSDD ( p  < 0.02) and non-linear parameters; ApEN ( p  < 0.001) were negatively correlated with increasing SBP while the low frequency to high frequency ratio (LF/HF) increased with increasing SBP ( p  < 0.03). Our results do not support associations between ECG derived R-R derived HRV parameters and QRS duration in aging populations. We suggest that ventricular conduction as determined by QRS duration is independent of variations in SA-node heart rate variability.

Microwave structure for the propiolic acid-formic acid complex.

PubMed

Kukolich, Stephen G; Mitchell, Erik G; Carey, Spencer J; Sun, Ming; Sargus, Bryan A

2013-10-03

New microwave spectra were measured to obtain rotational constants and centrifugal distortion constants for the DCCCOOH···HOOCH and HCCCOOD···DOOCH isotopologues. Rotational transitions were measured in the frequency range of 4.9-15.4 GHz, providing accurate rotational constants, which, combined with previous rotational constants, allowed an improved structural fit for the propiolic acid-formic acid complex. The new structural fit yields reasonably accurate orientations for both the propiolic and formic acid monomers in the complex and more accurate structural parameters describing the hydrogen bonding. The structure is planar, with a positive inertial defect of Δ = 1.33 amu Å(2). The experimental structure exhibits a greater asymmetry for the two hydrogen bond lengths than was obtained from the ab initio mp2 calculations. The best-fit hydrogen bond lengths have an r(O1-H1···O4) of 1.64 Å and an r(O3-H2···O2) of 1.87 Å. The average of the two hydrogen bond lengths is r(av)(exp) = 1.76 Å, in good agreement with r(av)(theory) = 1.72 Å. The center of mass separation of the monomers is R(CM) = 3.864 Å. Other structural parameters from the least-squares fit using the experimental rotational constants are compared with theoretical values. The spectra were obtained using two different pulsed beam Fourier transform microwave spectrometers.

Comparison of three-dimensional parameters of Halo CMEs using three cone models

NASA Astrophysics Data System (ADS)

Na, H.; Moon, Y.; Jang, S.; Lee, K.

2012-12-01

Halo coronal mass ejections (HCMEs) are a major cause of geomagnetic storms and their three dimensional structures are important for space weather. In this study, we compare three cone models: an elliptical cone model, an ice-cream cone model, and an asymmetric cone model. These models allow us to determine the three dimensional parameters of HCMEs such as radial speed, angular width, and the angle (γ) between sky plane and cone axis. We compare these parameters obtained from three models using 62 well-observed HCMEs observed by SOHO/LASCO from 2001 to 2002. Then we obtain the root mean square error (RMS error) between maximum measured projection speeds and their calculated projection speeds from the cone models. As a result, we find that the radial speeds obtained from the models are well correlated with one another (R > 0.84). The correlation coefficients between angular widths are ranges from 0.04 to 0.53 and those between γ values are from -0.15 to 0.47, which are much smaller than expected. The reason may be due to different assumptions and methods. The RMS errors between the maximum measured projection speeds and the maximum estimated projection speeds of the elliptical cone model, the ice-cream cone model, and the asymmetric cone model are 213 km/s, 254 km/s, and 267 km/s, respectively. And we obtain the correlation coefficients between the location from the models and the flare location (R > 0.75). Finally, we discuss strengths and weaknesses of these models in terms of space weather application.

Validation of cortical bone mineral density distribution using micro-computed tomography.

PubMed

Mashiatulla, Maleeha; Ross, Ryan D; Sumner, D Rick

2017-06-01

Changes in the bone mineral density distribution (BMDD), due to disease or drugs, can alter whole bone mechanical properties such as strength, stiffness and toughness. The methods currently available for assessing BMDD are destructive and two-dimensional. Micro-computed tomography (μCT) has been used extensively to quantify the three-dimensional geometry of bone and to measure the mean degree of mineralization, commonly called the tissue mineral density (TMD). The TMD measurement has been validated to ash density; however parameters describing the frequency distribution of TMD have not yet been validated. In the current study we tested the ability of μCT to estimate six BMDD parameters: mean, heterogeneity (assessed by the full-width-at-half-maximum (FWHM) and the coefficient of variation (CoV)), the upper and lower 5% cutoffs of the frequency distribution, and peak mineralization) in rat sized femoral cortical bone samples. We used backscatter scanning electron microscopy (bSEM) as the standard. Aluminum and hydroxyapatite phantoms were used to identify optimal scanner settings (70kVp, and 57μA, with a 1500ms integration time). When using hydroxyapatite samples that spanned a broad range of mineralization levels, high correlations were found between μCT and bSEM for all BMDD parameters (R 2 ≥0.92, p<0.010). When using cortical bone samples from rats and various species machined to mimic rat cortical bone geometry, significant correlations between μCT and bSEM were found for mean mineralization (R 2 =0.65, p<0.001), peak mineralization (R 2 =0.61, p<0.001) the lower 5% cutoff (R 2 =0.62, p<0.001) and the upper 5% cutoff (R 2 =0.33, p=0.021), but not for heterogeneity, measured by FWHM (R 2 =0.05, p=0.412) and CoV (R 2 =0.04, p=0.469). Thus, while mean mineralization and most parameters used to characterize the BMDD can be assessed with μCT in rat sized cortical bone samples, caution should be used when reporting the heterogeneity. Copyright © 2017 Elsevier Inc. All rights reserved.

Associations of dietary intake and metabolic syndrome risk parameters in Vietnamese female marriage immigrants in South Korea: The KoGES follow-up study

PubMed Central

Yang, Hyesu; Kim, Hyesook; Kim, Ji-Myung; Chung, Hye Won

2016-01-01

BACKGROUND/OBJECTIVES This study was conducted to compare the overall changes in dietary intake and metabolic syndrome risk parameters in Vietnamese marriage-based female immigrants over time. SUBJECTS/METHODS The subjects of this study were 581 Vietnamese marriage-based female immigrants, who were recruited from local clinical centers in Korea. Baseline data were collected from 2006-2011 and the follow-up data were collected from 2012-2014. Dietary food intake was assessed by a 1-day 24-hour recall method. RESULTS Compared to the baseline, the mean body weight, body mass index, waist circumference, high density lipoprotein (HDL)-cholesterol, systolic blood pressure and diastolic blood pressure increased while the fasting blood sugar, triglycerides and low density lipoprotein-cholesterol decreased at follow-up. The total consumption of foods such as vegetables/fruits/seaweeds/mushrooms, oil and fat, and eggs decreased during the follow-up period, whereas the consumption of sugars, beverages and meats increased. Partial correlation between the rate of change [(Follow-up - Baseline) / Baseline × 100] in metabolic syndrome risk parameters and food intake after controlling for confounding factors showed that the waist circumference was positively correlated with either the total plant food intake (r = 0.1042, P = 0.0129) or the total food intake (r = 0.0880, P = 0.0359). The plasma levels of total cholesterol (r = -0.1918, P = 0.0289) and HDL-cholesterol (r = -0.1424, P = 0.0007) were negatively correlated with the percentage of total intake from plant food, and HDL-cholesterol levels were positively correlated with the intake of total animal food (r = 0.0980, P = 0.0217). The serum C-reactive protein levels were positively correlated with the total intake of animal food (r = 0.2374, P < 0.0001) or the percentage of total intake from animal food (r = 0.1346, P = 0.0016). CONCLUSIONS These results suggest that the change rate of dietary intake such as total plant food or animal food is associated with the change rates of metabolic syndrome risk parameters. PMID:27247728

Analysis on the crime model using dynamical approach

NASA Astrophysics Data System (ADS)

Mohammad, Fazliza; Roslan, Ummu'Atiqah Mohd

2017-08-01

A research is carried out to analyze a dynamical model of the spread crime system. A Simplified 2-Dimensional Model is used in this research. The objectives of this research are to investigate the stability of the model of the spread crime, to summarize the stability by using a bifurcation analysis and to study the relationship of basic reproduction number, R0 with the parameter in the model. Our results for stability of equilibrium points shows that we have two types of stability, which are asymptotically stable and saddle node. While the result for bifurcation analysis shows that the number of criminally active and incarcerated increases as we increase the value of a parameter in the model. The result for the relationship of R0 with the parameter shows that as the parameter increases, R0 increase too, and the rate of crime increase too.

Correlation of 18F-FDG uptake on PET/CT with Ki67 immunohistochemistry in pre-treatment epithelial ovarian cancer.

PubMed

Mayoral, M; Paredes, P; Saco, A; Fusté, P; Perlaza, P; Tapias, A; Fernandez-Martinez, A; Vidal, L; Ordi, J; Pavia, J; Martinez-Roman, S; Lomeña, F

Standardised uptake value (SUV) and volumetric parameters such as metabolic tumour volume (MTV) and total lesion glycolysis (TLG) from 18 F-FDG PET/CT are useful criteria for disease prognosis in pre-operative and post-treatment epithelial ovarian cancer (EOC). Ki67 is another prognostic biomarker in EOC, associated with tumour aggressiveness. The aim of this study is to evaluate the association between 18 F-FDG PET/CT measurements and Ki67 in pre-treatment EOC to determine if PET/CT parameters could non-invasively predict tumour aggressiveness. A pre-treatment PET/CT was performed on 18 patients with suspected or newly diagnosed EOC. Maximum SUV (SUVmax), mean SUV (SUVmean), whole-body MTV (wbMTV), and whole-body TLG (wbTLG) with a threshold of 30% and 40% of the SUVmax were obtained. Furthermore, Ki67 index (mean and hotspot) was estimated in tumour tissue specimens. Immunohistochemical findings were correlated with PET parameters. The mean age was 57.0 years old (standard deviation 13.6 years). A moderate correlation was observed between mean Ki67 index and SUVmax (r=0.392), SUVmean 30% (r=0.437), and SUVmean 40% (r=0.443), and also between hotspot Ki67 index and SUVmax (r=0.360), SUVmean 30% (r=0.362) and SUVmean 40% (r=0.319). There was a weaker correlation, which was inversely negative, between mean and hotspot Ki67 and volumetric PET parameters. However, no statistical significant differences were found for any correlations. SUVmax and SUVmean were moderately correlated with Ki67 index, whereas volumetric PET parameters overall, showed a weaker correlation. Thus, SUVmax and SUVmean could be used to assess tumour aggressiveness in pre-treatment EOC. Copyright © 2017 Elsevier España, S.L.U. y SEMNIM. All rights reserved.

The association between lipid parameters and obesity in university students.

PubMed

Hertelyova, Z; Salaj, R; Chmelarova, A; Dombrovsky, P; Dvorakova, M C; Kruzliak, P

2016-07-01

Abdominal obesity is associated with high plasma triglyceride and with low plasma high-density lipoprotein cholesterol levels. Objective of the study was to find an association between plasma lipid and lipoprotein levels and anthropometric parameters in abdominal obesity in Slovakian university students. Lipid profile and anthropometric parameters of obesity were studied in a sample of 419 probands, including 137 men and 282 women. Males had higher values of non-high-density lipoprotein cholesterol (non-HDL-C), low-density lipoprotein cholesterol (LDL-C), triglycerides (TG) and very low-density lipoprotein cholesterol (VLDL-C) than females, but these differences were not significant. Females had significantly (P < 0.05) higher TC and HDL-C (P < 0.001) than males. In comparison, all anthropometric parameters in the males were significantly (P < 0.001) higher than in the females. A positive correlation between non-HDL-C, TG, VLDL-C and anthropometric parameters (BMI, WC, WHR, WHtR) was found at P < 0.001. LDL was positively correlated with BMI, WCF, WHtR and TC with BMI, WHtR at P < 0.001. We also observed a correlation between TC-WCF and LDL-WHR at P < 0.01. A negative correlation was found between HDL and all monitored anthropometric parameters at P < 0.001. On the other hand, no correlation between TC and WHR was detected. This study shows an association between plasma lipid and lipoprotein levels and anthropometric parameters in abdominal obesity in young people, predominantly university students.

The CCD photometry of the globular cluster Palomar 1.

NASA Astrophysics Data System (ADS)

Borissova, J.; Spassova, N.

1995-04-01

A CCD photometry of the halo cluster Palomar 1 is presented in the Thuan-Gunn photometric system. The principal sequences of the color-magnitude diagrams are delineated in different spectral bands. The color-magnitude diagrams of the cluster show a well defined red horizontal branch, a subgiant branch and a main-sequence down to about two magnitudes below the main sequence turnoff. The giant branch is absent and the brightest stars are the horizontal branch stars. The age of the cluster determined by comparison with the isochrones of Bell & Vanden Berg (1987) is consistent with an age in the interval 12-14Gyr. A distance modulus of (m-M)_g0_=15.38+/-0.15 magnitude and E(g-r)=0.16 has been derived. An estimate of the cluster structural parameters such as core radius and concentration parameter gives r_c_=1.5pc and c=1.46. A mass estimate of 1.1 10^3^Msun_ and a mass-to-light ratio of 1.79 have been obtained using King's (1966) method. The morphology of color-magnitude diagrams allows Pal 1 to be interpreted as probably a globular cluster rather than an old open one.

Mathematical modeling of tetrahydroimidazole benzodiazepine-1-one derivatives as an anti HIV agent

NASA Astrophysics Data System (ADS)

Ojha, Lokendra Kumar

2017-07-01

The goal of the present work is the study of drug receptor interaction via QSAR (Quantitative Structure-Activity Relationship) analysis for 89 set of TIBO (Tetrahydroimidazole Benzodiazepine-1-one) derivatives. MLR (Multiple Linear Regression) method is utilized to generate predictive models of quantitative structure-activity relationships between a set of molecular descriptors and biological activity (IC50). The best QSAR model was selected having a correlation coefficient (r) of 0.9299 and Standard Error of Estimation (SEE) of 0.5022, Fisher Ratio (F) of 159.822 and Quality factor (Q) of 1.852. This model is statistically significant and strongly favours the substitution of sulphur atom, IS i.e. indicator parameter for -Z position of the TIBO derivatives. Two other parameter logP (octanol-water partition coefficient) and SAG (Surface Area Grid) also played a vital role in the generation of best QSAR model. All three descriptor shows very good stability towards data variation in leave-one-out (LOO).

A Globular Cluster Luminosity Function Distance to NGC 4993 Hosting a Binary Neutron Star Merger GW170817/GRB 170817A

NASA Astrophysics Data System (ADS)

Lee, Myung Gyoon; Kang, Jisu; Im, Myungshin

2018-05-01

NGC 4993 hosts a binary neutron star merger, GW170817/GRB 170817A, emitting gravitational waves and electromagnetic waves. The distance to this galaxy is not well established. We select the globular cluster candidates from the Hubble Space Telescope (HST)/ACS F606W images of NGC 4993 in the archive, using the structural parameters of the detected sources. The radial number density distribution of these candidates shows a significant central concentration around the galaxy center at the galactocentric distance r < 50″, showing that they are mostly the members of NGC 4993. Also, the luminosity function of these candidates is fit well by a Gaussian function. Therefore, the selected candidates at r < 50″ are mostly considered to be globular clusters in NGC 4993. We derive an extinction-corrected turnover Vega magnitude in the luminosity function of the globular clusters at 20″ < r < 50″, F606W (max)0 = 25.36 ± 0.08 (V 0 = 25.52 ± 0.11) mag. Adopting the calibration of the turnover magnitudes of the globular clusters, M V (max) = ‑7.58 ± 0.11, we derive a distance to NGC 4993, d = 41.65 ± 3.00 Mpc ({(m-M)}0 = 33.10+/- 0.16). The systematic error of this method can be as large as ±0.3 mag. This value is consistent with the previous distance estimates based on the fundamental plane relation and the gravitational wave method in the literature. The distance in this study can be used to constrain the values of the parameters including the inclination angle of the binary system in the models of gravitational wave analysis.

Study of charged stellar structures in f(R, T) gravity

NASA Astrophysics Data System (ADS)

Sharif, M.; Siddiqa, Aisha

2017-12-01

This paper explores charged stellar structures whose pressure and density are related through polytropic equation of state ( p=ωρ^{σ}; ω is polytropic constant, p is pressure, ρ denotes density and σ is polytropic exponent) in the scenario of f(R,T) gravity (where R is the Ricci scalar and T is the trace of energy-momentum tensor). The Einstein-Maxwell field equations are solved together with the hydrostatic equilibrium equation for f(R,T)=R+2λ T where λ is the coupling constant, also called model parameter. We discuss different features of such configurations (like pressure, mass and charge) using graphical behavior for two values of σ. It is found that the effects of model parameter λ on different quantities remain the same for both cases. The energy conditions are satisfied and stellar configurations are stable in each case.

[Relationship between salivary occult blood and level of volatile sulphur compounds in oral cavity].

PubMed

An, Yue-bang; He, Lu; Meng, Huan-xin; Liu, Ting-ting; Liu, Jian

2010-07-01

To observe the change of the salivary occult blood after periodontal mechanical therapy, and to assess the correlations between salivary occult blood and the level of volatile sulphur compounds (VSC) in oral cavity, periodontal clinical parameters, respectively. Fifty patients with gingivititis, mild or moderate periodontitis were included. The level of VSC were measured by Halimeter(®) and salivary occult blood was tested by Perioscreen(®) before periodontal examination. Then full mouth plaque index (PLI), probing depth (PD), bleeding index (BI) were charted. Attachment loss (AL) of the Ramfjörd teeth were recorded lastly. Intensive periodontal mechanical therapy was conducted including oral hygiene instruction, scaling and root planing (SRP). Four weeks after SRP, the same examinations were repeated. Salivary occult blood was significantly correlated with BI (r = 0.294) and PLI (r = 0.308) before periodontal therapy (P < 0.01), and also significantly correlated with VSC level (r = 0.386), PLI (r = 0.456), BI (r = 0.352), AL (r = 0.325) after therapy (P < 0.05). The improvement of VSC level [211.0 (111.0 - 389.5) × 10⁻⁹ vs 100.0 (46.3 - 165.3) × 10⁻⁹], the clinical periodontal parameters including PLI [(1.3 ± 1.0) vs (0.4 ± 0.6)], PD [(3.7 ± 1.5) mm vs (2.7 ± 0.9) mm], BI [(1.8 ± 1.2) vs (0.4 ± 0.7)] and AL [(1.0 ± 1.1) mm vs (0.1 ± 0.5) mm after the treatment was statistically significant (P < 0.001). However, standing on the viewpoint of salivary occult blood changes from positive before therapy to negative after therapy, only 80% (40/50) individuals were totally cured. VSC level in oral cavity and periodontal clinical parameters significantly decreased (P < 0.001) following the trends from strong positive, weak positive, to negative results of salivary occult blood test. Salivary occult blood was correlated with VSC level in oral cavity of periodontal treated patients. It may be an objective parameter to evaluate the gingival inflammation and the efficacy of the periodontal therapy at individual level.

Wideband Signal De-Interleaving (WSD)

DTIC Science & Technology

2012-04-01

6= 0 The GLRT for this hypothesis is to decide H1 if [11] T (r̃) = ˆ̃sH( HHH )ˆ̃s 1/2 > γ′ where ˆ̃s = ( HHH )−1HH r̃ = 1 M M−1 ∑ i=0 r̃i (11) 14 APPROVED...with 2N degrees of freedom and with λ as the noncentrality parameter. The noncentrality parameter is λ = s̃H( HHH )s̃ =M s̃H s̃ (14) which is the total

Submental Ultrasonographic Parameters among Patients with Obstructive Sleep Apnea.

PubMed

Bilici, Suat; Engin, Acioglu; Ozgur, Yigit; Ozlem Onerci, Celebi; Ahmet Gorkem, Yasak; Aytul Hande, Yardimci

2017-03-01

Objective This study aimed to determine the value of submental ultrasonography (US) parameters for diagnostic workup among patients with obstructive sleep apnea (OSA) and to determine whether there is a correlation between US findings and the severity of OSA. Study Design Cross-sectional analysis. Setting Tertiary education hospital. Subjects and Methods The study included 147 patients with suspected OSA who underwent submental US to evaluate various parameters following overnight polysomnography. US findings were compared with the apnea-hypopnea index and other parameters. Results All US parameters, except for subcutaneous tissue thickness, were significantly different among patients with OSA. Of note, distance between lingual arteries (DLA), geniohyoid muscle thickness (GMT), and lateral parapharyngeal wall thickness (LPWT) were significantly greater in the patients with severe OSA than those with mild and moderate OSA ( P < .001). GMT had the strongest correlation with OSA ( r = 0.419, P < .001); LPWT and DLA also had high correlation coefficient values ( r = 0.343, P < .001, and r = 0.342, P < .001, respectively). Stepwise regression analysis showed that GMT (beta = 0.243, P = 0.004), LPWT (beta = 0.236, P = 0.004), and DLA (beta = 0.204, P = 0.008) were the most significant factors for predicting the severity of OSA according to the apnea-hypopnea index. Conclusion Submental US can be used to determine whether there is a correlation between US findings and severity of OSA. GMT could be considered a novel parameter for determining the severity of OSA.

Noninvasive assessment of left atrial maximum dP/dt by a combination of transmitral and pulmonary venous flow.

PubMed

Nakatani, S; Garcia, M J; Firstenberg, M S; Rodriguez, L; Grimm, R A; Greenberg, N L; McCarthy, P M; Vandervoort, P M; Thomas, J D

1999-09-01

The study assessed whether hemodynamic parameters of left atrial (LA) systolic function could be estimated noninvasively using Doppler echocardiography. Left atrial systolic function is an important aspect of cardiac function. Doppler echocardiography can measure changes in LA volume, but has not been shown to relate to hemodynamic parameters such as the maximal value of the first derivative of the pressure (LA dP/dt(max)). Eighteen patients in sinus rhythm were studied immediately before and after open heart surgery using simultaneous LA pressure measurements and intraoperative transesophageal echocardiography. Left atrial pressure was measured with a micromanometer catheter, and LA dP/dt(max) during atrial contraction was obtained. Transmitral and pulmonary venous flow were recorded by pulsed Doppler echocardiography. Peak velocity, and mean acceleration and deceleration, and the time-velocity integral of each flow during atrial contraction was measured. The initial eight patients served as the study group to derive a multilinear regression equation to estimate LA dP/dt(max) from Doppler parameters, and the latter 10 patients served as the test group to validate the equation. A previously validated numeric model was used to confirm these results. In the study group, LA dP/dt(max) showed a linear relation with LA pressure before atrial contraction (r = 0.80, p < 0.005), confirming the presence of the Frank-Starling mechanism in the LA. Among transmitral flow parameters, mean acceleration showed the strongest correlation with LA dP/dt(max) (r = 0.78, p < 0.001). Among pulmonary venous flow parameters, no single parameter was sufficient to estimate LA dP/dt(max) with an r2 > 0.30. By stepwise and multiple linear regression analysis, LA dP/dt(max) was best described as follows: LA dP/dt(max) = 0.1 M-AC +/- 1.8 P-V - 4.1; r = 0.88, p < 0.0001, where M-AC is the mean acceleration of transmitral flow and P-V is the peak velocity of pulmonary venous flow during atrial contraction. This equation was tested in the latter 10 patients of the test group. Predicted and measured LA dP/dt(max) correlated well (r = 0.90, p < 0.0001). Numerical simulation verified that this relationship held across a wide range of atrial elastance, ventricular relaxation and systolic function, with LA dP/dt(max) predicted by the above equation with r = 0.94. A combination of transmitral and pulmonary venous flow parameters can provide a hemodynamic assessment of LA systolic function.

Noninvasive assessment of left atrial maximum dP/dt by a combination of transmitral and pulmonary venous flow

NASA Technical Reports Server (NTRS)

Nakatani, S.; Garcia, M. J.; Firstenberg, M. S.; Rodriguez, L.; Grimm, R. A.; Greenberg, N. L.; McCarthy, P. M.; Vandervoort, P. M.; Thomas, J. D.

1999-01-01

OBJECTIVES: The study assessed whether hemodynamic parameters of left atrial (LA) systolic function could be estimated noninvasively using Doppler echocardiography. BACKGROUND: Left atrial systolic function is an important aspect of cardiac function. Doppler echocardiography can measure changes in LA volume, but has not been shown to relate to hemodynamic parameters such as the maximal value of the first derivative of the pressure (LA dP/dt(max)). METHODS: Eighteen patients in sinus rhythm were studied immediately before and after open heart surgery using simultaneous LA pressure measurements and intraoperative transesophageal echocardiography. Left atrial pressure was measured with a micromanometer catheter, and LA dP/dt(max) during atrial contraction was obtained. Transmitral and pulmonary venous flow were recorded by pulsed Doppler echocardiography. Peak velocity, and mean acceleration and deceleration, and the time-velocity integral of each flow during atrial contraction was measured. The initial eight patients served as the study group to derive a multilinear regression equation to estimate LA dP/dt(max) from Doppler parameters, and the latter 10 patients served as the test group to validate the equation. A previously validated numeric model was used to confirm these results. RESULTS: In the study group, LA dP/dt(max) showed a linear relation with LA pressure before atrial contraction (r = 0.80, p < 0.005), confirming the presence of the Frank-Starling mechanism in the LA. Among transmitral flow parameters, mean acceleration showed the strongest correlation with LA dP/dt(max) (r = 0.78, p < 0.001). Among pulmonary venous flow parameters, no single parameter was sufficient to estimate LA dP/dt(max) with an r2 > 0.30. By stepwise and multiple linear regression analysis, LA dP/dt(max) was best described as follows: LA dP/dt(max) = 0.1 M-AC +/- 1.8 P-V - 4.1; r = 0.88, p < 0.0001, where M-AC is the mean acceleration of transmitral flow and P-V is the peak velocity of pulmonary venous flow during atrial contraction. This equation was tested in the latter 10 patients of the test group. Predicted and measured LA dP/dt(max) correlated well (r = 0.90, p < 0.0001). Numerical simulation verified that this relationship held across a wide range of atrial elastance, ventricular relaxation and systolic function, with LA dP/dt(max) predicted by the above equation with r = 0.94. CONCLUSIONS: A combination of transmitral and pulmonary venous flow parameters can provide a hemodynamic assessment of LA systolic function.

Structural Brain Damage and Upper Limb Kinematics in Children with Unilateral Cerebral Palsy.

PubMed

Mailleux, Lisa; Simon-Martinez, Cristina; Klingels, Katrijn; Jaspers, Ellen; Desloovere, Kaat; Demaerel, Philippe; Fiori, Simona; Guzzetta, Andrea; Ortibus, Els; Feys, Hilde

2017-01-01

Background: In children with unilateral cerebral palsy (uCP) virtually nothing is known on the relation between structural brain damage and upper limb (UL) kinematics quantified with three-dimensional movement analysis (3DMA). This explorative study aimed to (1) investigate differences in UL kinematics between children with different lesion timings, i.e., periventricular white matter (PWM) vs. cortical and deep gray matter (CDGM) lesions and (2) to explore the relation between UL kinematics and lesion location and extent within each lesion timing group. Methods: Forty-eight children (age 10.4 ± 2.7 year; 29 boys; 21 right-sided; 33 PWM; 15 CDGM) underwent an UL 3DMA during a reach-to-grasp task. Spatiotemporal parameters [movement duration, (timing of) maximum velocity, trajectory straightness], the Arm Profile Score (APS) and Arm Variable Scores (AVS) were extracted. The APS and AVS refer to the total amount of movement pathology and movement deviations of the wrist, elbow, shoulder, scapula and trunk respectively. Brain lesion location and extent were scored based on FLAIR-images using a semi-quantitative MRI-scale. Results: Children with CDGM lesions showed more aberrant spatiotemporal parameters ( p < 0.03) and more movement pathology (APS, p = 0.003) compared to the PWM group, mostly characterized by increased wrist flexion ( p = 0.01). In the CDGM group, moderate to high correlations were found between lesion location and extent and duration, timing of maximum velocity and trajectory straightness ( r = 0.53-0.90). Lesion location and extent were further moderately correlated with distal UL movement pathology (wrist flexion/extension, elbow pronation/supination, elbow flexion/extension; r = 0.50-0.65) and with the APS ( r = 0.51-0.63). In the PWM group, only a few and low correlations were observed, mostly between damage to the PLIC and higher AVS of elbow flexion/extension, shoulder elevation and trunk rotation ( r = 0.35-0.42). Regression analysis revealed damage to the temporal lobe with lesion timing as interactor (27%, p = 0.002) and the posterior limb of the internal capsule (PLIC) (7%, p = 0.04) as the strongest predictors, explaining 34% of the variance in APS. Conclusion: UL kinematic deviations are more influenced by lesion location and extent in children with later (CDGM) versus earlier lesions (PWM), except for proximal movement pathology. Damage to the PLIC is a significant predictor for UL movement pathology irrespective of lesion timing.

Evaluating growth of the Porcupine Caribou Herd using a stochastic model

USGS Publications Warehouse

Walsh, Noreen E.; Griffith, Brad; McCabe, Thomas R.

1995-01-01

Estimates of the relative effects of demographic parameters on population rates of change, and of the level of natural variation in these parameters, are necessary to address potential effects of perturbations on populations. We used a stochastic model, based on survival and reproduction estimates of the Porcupine Caribou (Rangifer tarandus granti) Herd (PCH), during 1983-89 and 1989-92 to obtain distributions of potential population rates of change (r). The distribution of r produced by 1,000 trajectories of our simulation model (1983-89, r̄ = 0.013; 1989-92, r̄ = 0.003) encompassed the rate of increase calculated from an independent series of photo-survey data over the same years (1983-89, r = 0.048; 1989-92, r = -0.035). Changes in adult female survival had the largest effect on r, followed by changes in calf survival. We hypothesized that petroleum development on calving grounds, or changes in calving and post-calving habitats due to global climate change, would affect model input parameters. A decline in annual adult female survival from 0.871 to 0.847, or a decline in annual calf survival from 0.518 to 0.472, would be sufficient to cause a declining population, if all other input estimates remained the same. We then used these lower survival rates, in conjunction with our estimated amount of among-year variation, to determine a range of resulting population trajectories. Stochastic models can be used to better understand dynamics of populations, optimize sampling investment, and evaluate potential effects of various factors on population growth.

Positron annihilation studies of Bi 2CaSr 2Cu 2O x and Bi 1.6Pb 0.4Ca 2Sr 2Cu 3O y in the region of the superconducting transition

NASA Astrophysics Data System (ADS)

Pujari, P. K.; Datta, T.; Manohar, S. B.; Prakash, Satya; Sastry, P. V. P. S. S.; Yakhmi, J. V.; Iyer, R. M.

1990-03-01

Doppler broadened annihilation radiation (DBAR) spectral parameters have been reported- for the first time- between 77 K and 300 K, for several Bi-based oxide superconductors, viz. A: single phase (2122) Bi 2CaSr 2Cu 2O x with Tc=85 K (R=0), B: a mixed phase lead doped sample containing both 2122 and 2223 with a nominal composition Bi 1.6Pb 0.4Ca 2Sr 2Cu 3O y, and, C: another 2122+2223 sample with same nominal composition as that of B but synthesised under a different heat-treatment schedule so as to yield a Tc=85 K (R=0). Analyses of these spectra using PAACFIT program yielded two components, of which the intensity of the narrow component, I N, and, the width of the broad component, T B, were seen to be the only temperature dependent parameters. At the onset of superconducting transition both T B and I N were seen to increase to a maximum value and decrease on further cooling. A double peak structure in T B vs temperature profile were observed in sample B and C, similar to one reported by us in Tl-Ca-Ba-Cu-O systems. In addition, presence of a magnetic field (1 KG) yielded no significant change in the DBAR spectral parameters. The results are discussed.

Estimation of inflation parameters for Perturbed Power Law model using recent CMB measurements

NASA Astrophysics Data System (ADS)

Mukherjee, Suvodip; Das, Santanu; Joy, Minu; Souradeep, Tarun

2015-01-01

Cosmic Microwave Background (CMB) is an important probe for understanding the inflationary era of the Universe. We consider the Perturbed Power Law (PPL) model of inflation which is a soft deviation from Power Law (PL) inflationary model. This model captures the effect of higher order derivative of Hubble parameter during inflation, which in turn leads to a non-zero effective mass meff for the inflaton field. The higher order derivatives of Hubble parameter at leading order sources constant difference in the spectral index for scalar and tensor perturbation going beyond PL model of inflation. PPL model have two observable independent parameters, namely spectral index for tensor perturbation νt and change in spectral index for scalar perturbation νst to explain the observed features in the scalar and tensor power spectrum of perturbation. From the recent measurements of CMB power spectra by WMAP, Planck and BICEP-2 for temperature and polarization, we estimate the feasibility of PPL model with standard ΛCDM model. Although BICEP-2 claimed a detection of r=0.2, estimates of dust contamination provided by Planck have left open the possibility that only upper bound on r will be expected in a joint analysis. As a result we consider different upper bounds on the value of r and show that PPL model can explain a lower value of tensor to scalar ratio (r<0.1 or r<0.01) for a scalar spectral index of ns=0.96 by having a non-zero value of effective mass of the inflaton field m2eff/H2. The analysis with WP + Planck likelihood shows a non-zero detection of m2eff/H2 with 5.7 σ and 8.1 σ respectively for r<0.1 and r<0.01. Whereas, with BICEP-2 likelihood m2eff/H2 = -0.0237 ± 0.0135 which is consistent with zero.

Effect of various methods for rectum delineation on relative and absolute dose-volume histograms for prostate IMRT treatment planning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kusumoto, Chiaki; Ohira, Shingo; Department of Medical Physics and Engineering, Osaka University Graduate School of Medicine, Suita

2016-07-01

Several reports have dealt with correlations of late rectal toxicity with rectal dose-volume histograms (DVHs) for high dose levels. There are 2 techniques to assess rectal volume for reception of a specific dose: relative-DVH (R-DVH, %) that indicates relative volume for a vertical axis, and absolute-DVH (A-DVH, cc) with its vertical axis showing absolute volume of the rectum. The parameters of DVH vary depending on the rectum delineation method, but the literature does not present any standardization of such methods. The aim of the present study was to evaluate the effects of different delineation methods on rectal DVHs. The enrollmentmore » for this study comprised 28 patients with high-risk localized prostate cancer, who had undergone intensity-modulated radiation therapy (IMRT) with the prescription dose of 78 Gy. The rectum was contoured with 4 different methods using 2 lengths, short (Sh) and long (Lg), and 2 cross sections, rectum (Rec) and rectal wall (Rw). Sh means the length from 1 cm above the seminal vesicles to 1 cm below the prostate and Lg the length from the rectosigmoid junction to the anus. Rec represents the entire rectal volume including the rectal contents and Rw the rectal volume of the area with a wall thickness of 4 mm. We compared dose-volume parameters by using 4 rectal contour methods for the same plan with the R-DVHs as well as the A-DVHs. For the high dose levels, the R-DVH parameters varied widely. The mean of V{sub 70} for Sh-Rw was the highest (19.4%) and nearly twice as high as that for Lg-Rec (10.4%). On the contrary, only small variations were observed in the A-DVH parameters (4.3, 4.3, 5.5, and 5.5 cc for Sh-Rw, Lg-Rw, Sh-Rec, and Lg-Rec, respectively). As for R-DVHs, the parameters of V{sub 70} varied depending on the rectal lengths (Sh-Rec vs Lg-Rec: R = 0.76; Sh-Rw vs Lg-Rw: R = 0.85) and cross sections (Sh-Rec vs Sh-Rw: R = 0.49; Lg-Rec vs Lg-Rw: R = 0.65). For A-DVHs, however, the parameters of Sh rectal A-DVHs hardly changed regardless of differences in rectal length at all dose levels. Moreover, at high dose levels (V{sub 70}), the parameters of A-DVHs showed less dependence on rectal cross sections (Sh-Rec vs Sh-Rw: R = 0.66; Lg-Rec vs Lg-Rw: R = 0.59). This study showed that A-DVHs were less dependent on the delineation methods than R-DVHs, especially for evaluating the rectal dose at higher dose levels. It can therefore be assumed that, in addition to R-DVHs, A-DVHs can be used for evaluating rectal toxicity.« less

Structure-activity modelling of essential oils, their components, and key molecular parameters and descriptors.

PubMed

Owen, Lucy; Laird, Katie; Wilson, Philippe B

2018-04-01

Many essential oil components are known to possess broad spectrum antimicrobial activity, including against antibiotic resistant bacteria. These compounds may be a useful source of new and novel antimicrobials. However, there is limited research on the structure-activity relationship (SAR) of essential oil compounds, which is important for target identification and lead optimization. This study aimed to elucidate SARs of essential oil components from experimental and literature sources. Minimum Inhibitory Concentrations (MICs) of essential oil components were determined against Escherichia coli and Staphylococcus aureus using a microdilution method and then compared to those in published in literature. Of 12 essential oil components tested, carvacrol and cuminaldehyde were most potent with MICs of 1.98 and 2.10 mM, respectively. The activity of 21 compounds obtained from the literature, MICs ranged from 0.004 mM for limonene to 36.18 mM for α-terpineol. A 3D qualitative SAR model was generated from MICs using FORGE software by consideration of electrostatic and steric parameters. An r 2 value of 0.807 for training and cross-validation sets was achieved with the model developed. Ligand efficiency was found to correlate well to the observed activity (r 2  = 0.792), while strongly negative electrostatic regions were present in potent molecules. These descriptors may be useful for target identification of essential oils or their major components in antimicrobial/drug development. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effective field theory of cosmic acceleration: Constraining dark energy with CMB data

NASA Astrophysics Data System (ADS)

Raveri, Marco; Hu, Bin; Frusciante, Noemi; Silvestri, Alessandra

2014-08-01

We introduce EFTCAMB/EFTCosmoMC as publicly available patches to the commonly used camb/CosmoMC codes. We briefly describe the structure of the codes, their applicability and main features. To illustrate the use of these patches, we obtain constraints on parametrized pure effective field theory and designer f(R) models, both on ΛCDM and wCDM background expansion histories, using data from Planck temperature and lensing potential spectra, WMAP low-ℓ polarization spectra (WP), and baryon acoustic oscillations (BAO). Upon inspecting the theoretical stability of the models on the given background, we find nontrivial parameter spaces that we translate into viability priors. We use different combinations of data sets to show their individual effects on cosmological and model parameters. Our data analysis results show that, depending on the adopted data sets, in the wCDM background case these viability priors could dominate the marginalized posterior distributions. Interestingly, with Planck +WP+BAO+lensing data, in f(R) gravity models, we get very strong constraints on the constant dark energy equation of state, w0∈(-1,-0.9997) (95% C.L.).

Synthesis and crystal structure of two new uranyl oxychloro-vanadate layered compounds: M7(UO 2) 8(VO 4) 2O 8Cl with M=Rb, Cs

NASA Astrophysics Data System (ADS)

Duribreux, I.; Saadi, M.; Obbade, S.; Dion, C.; Abraham, F.

2003-05-01

Two new alkali uranyl oxychloro vanadates M7(UO 2) 8(VO 4) 2O 8Cl with M=Rb, Cs, have been synthesized by solid-state reactions and their structures determined from single-crystal X-ray diffraction data. They crystallize in the orthorhombic system with space groups Pmcn and Pmmn, respectively. The a and b unit cell parameters are almost identical in both compounds while the c parameter in the Rb compound is doubled: Rb— a=21.427(5) Å, b=11.814(3) Å, c=14.203(3) Å, V=3595.1(1) Å 3, Z=4, ρmes=5.93(2) g/cm 3, ρcal=5.82(1) g/cm 3; Cs— a=21.458(3) Å, b=11.773(2) Å, c=7.495(1) Å, V=1893.6(5) Å 3, Z=2, ρmes=6.09(2) g/cm 3, ρcal=6.11(1) g/cm 3. A full-matrix least-squares refinement yielded R1=0.0221, w R2=0.0562 for 2675 independent reflections and R1=0.0386, w R2=0.1042 for 2446 independent reflections, for the Rb and Cs compounds, respectively. Data were collected with Mo( Kα) radiation and a charge coupled device (CCD) detector of a Bruker diffractometer. Both structures are characterized by [(UO 2) 8(VO 4) 2O 8Cl] n7 n- layers parallel to the (001) plane. The layers are built up from VO 4 tetrahedra, UO 7 and UO 6Cl pentagonal bipyramids, and UO 6 distorded octahedra. The UO 7 and UO 6Cl pentagonal bipyramids are associated by sharing opposite equatorial edges to form infinite chains (UO 5-UO 4Cl-UO 5) n parallel to the a axis. These chains are linked together by VO 4 tetrahedra, UO 6 octahedra, UO 7 corner sharing and UO 6Cl, Cl sharing. Both structures differ simply by the symmetry of the layers. The unit cell contains one centrosymmetric layer in the Cs compound, whereas in the two-layer unit cell of the Rb compound, two non-centrosymmetric consecutive layers are related by an inversion center. The layers appear to be held together by the alkali ions. The mobility of the M+ ions within the interlayer space in M7(UO 2) 8(VO 4) 2O 8Cl and carnotite analog compounds is compared.

Wave intensity analysis in mice: an ultrasound-based study in the abdominal aorta and common carotid artery

NASA Astrophysics Data System (ADS)

Di Lascio, N.; Kusmic, C.; Stea, F.; Faita, F.

2017-03-01

Wave Intensity Analysis (WIA) can provide parameters representative of the interaction between the vascular network and the heart. It has been already demonstrated that WIA-derived biomarkes have a quantitative physiological meaning. Aim of this study was to develop an image process algorithm for performing non-invasive WIA in mice and correlate commonly used cardiac function parameters with WIA-derived indexes. Sixteen wild-type male mice (8 weeks-old) were imaged with high-resolution ultrasound (Vevo 2100). Abdominal aorta and common carotid pulse wave velocities (PWVabd, PWVcar) were obtained processing B-Mode and PW-Doppler images and employed to assess WIA. Amplitudes of the first (W1abd, W1car) and the second (W2abd, W2car) local maxima and minimum (Wbabd,Wbcar) were evaluated; areas under the negative part of the curve were also calculated (NAabd, NAcar). Cardiac output (CO), ejection fraction (EF) fractional shortening (FS) and stroke volume (SV) were estimated; strain analysis provided strain and strain rate values for longitudinal, radial and circumferential directions (LS, LSR, RS, RSR, CS, CSR). Isovolumetric relaxation time (IVRT) was calculated from mitral inflow PW-Doppler images; IVRT values were normalized for cardiac cycle length. W1abd was correlated with LS (R=0.65) and LSR (R=0.59), while W1car was correlated with CO (R=0.58), EF (R=0.72), LS (R=0.65), LSR (R=0.89), CS (R=0.71), CSR (R=0.70). Both W2abd and W2car were not correlated with IVRT. Carotid artery WIA-derived parameters are more representative of cardiac function than those obtained from the abdominal aorta. The described US-based method can provide information about cardiac function and cardio-vascular interaction simply studying a single vascular site.

Measurement of unsaturated hydraulic properties and evaluation of property-transfer models for deep sedimentary interbeds, Idaho National Laboratory, Idaho

USGS Publications Warehouse

Perkins, Kimberlie; Johnson, Brittany D.; Mirus, Benjamin B.

2014-01-01

During 2013–14, the USGS, in cooperation with the U.S. Department of Energy, focused on further characterization of the sedimentary interbeds below the future site of the proposed Remote Handled Low-Level Waste (RHLLW) facility, which is intended for the long-term storage of low-level radioactive waste. Twelve core samples from the sedimentary interbeds from a borehole near the proposed facility were collected for laboratory analysis of hydraulic properties, which also allowed further testing of the property-transfer modeling approach. For each core sample, the steady-state centrifuge method was used to measure relations between matric potential, saturation, and conductivity. These laboratory measurements were compared to water-retention and unsaturated hydraulic conductivity parameters estimated using the established property-transfer models. For each core sample obtained, the agreement between measured and estimated hydraulic parameters was evaluated quantitatively using the Pearson correlation coefficient (r). The highest correlation is for saturated hydraulic conductivity (Ksat) with an r value of 0.922. The saturated water content (qsat) also exhibits a strong linear correlation with an r value of 0.892. The curve shape parameter (λ) has a value of 0.731, whereas the curve scaling parameter (yo) has the lowest r value of 0.528. The r values demonstrate that model predictions correspond well to the laboratory measured properties for most parameters, which supports the value of extending this approach for quantifying unsaturated hydraulic properties at various sites throughout INL.

(3+1)D superspace structural determination of two new modulated composite phases: Sr 1+ x(Cu xMn 1- x)O 3; x=3/11 and x=0.3244

NASA Astrophysics Data System (ADS)

El Abed, Ahmed; Gaudin, Etienne; zur Loye, Hans-Conrad; Darriet, Jacques

2003-01-01

We report the structure determination of two new phases belonging to the A 1+ x(A' xB 1- x)O 3 family of oxides with A=Sr, A'=Cu, and B=Mn, where x=3/11 and x=0.3244, corresponding to a commensurate and incommensurate composite structure, respectively. These two compounds are the first examples of oxides belonging to the Sr 1+ x(Cu xMn 1- x)O 3 family. Their structures were solved in the (3+1) dimensional superspace formalism as modulated composite structures with two subsystems [(Cu,Mn)O 3] and [Sr]. The superspace group used to solve the structures is R 3¯m(00γ)0s . The first phase ( x=3/11), corresponding to the chemical formula Sr 14Cu 3Mn 8O 33, was obtained as a single crystal with unit cell parameters of a=9.6025(3) Å and c1=2.5660(8) Å ( q=7/11 c1∗, Z=3), where c1 is the lattice parameter corresponding to the c-axis of the trigonal subsystem [(Cu,Mn)O 3]. The second phase ( x=0.3244(1)), is a polycrystalline sample with unit cell parameters of a=9.5933(7) and c1=2.5933(3) ( q=0.6622 c1∗, Z=3). In both structures, one dimensional chains run along the c-axis which contain octahedra and trigonal prisms occupied by manganese and copper atoms, respectively. The refinement results show that in both cases copper occupies the rectangular faces of the trigonal prism while manganese occupies the octahedral sites. The magnetic measurements of the polycrystalline phase (Sr 1+ x(Cu xMn 1- x)O 3, x=0.3244(2)) and the Curie constant obtained from the high temperature susceptibility are in agreement with a spin state configuration of S=3/2 for Mn 4+ and S=1/2 for Cu 2+.

3He Lung Morphometry Technique: Accuracy Analysis and Pulse Sequence Optimization

PubMed Central

Sukstanskii, A.L.; Conradi, M.S.; Yablonskiy, D.A.

2010-01-01

The 3He lung morphometry technique (Yablonskiy et al, JAP, 2009), based on MRI measurements of hyperpolarized gas diffusion in lung airspaces, provides unique information on the lung microstructure at the alveolar level. 3D tomographic images of standard morphological parameters (mean airspace chord length, lung parenchyma surface-to-volume ratio, and the number of alveoli per unit lung volume) can be created from a rather short (several seconds) MRI scan. These parameters are most commonly used to characterize lung morphometry but were not previously available from in vivo studies. A background of the 3He lung morphometry technique is based on a previously proposed model of lung acinar airways, treated as cylindrical passages of external radius R covered by alveolar sleeves of depth h, and on a theory of gas diffusion in these airways. The initial works approximated the acinar airways as very long cylinders, all with the same R and h. The present work aims at analyzing effects of realistic acinar airway structures, incorporating airway branching, physiological airway lengths, a physiological ratio of airway ducts and sacs, and distributions of R and h. By means of Monte Carlo computer simulations, we demonstrate that our technique allows rather accurate measurements of geometrical and morphological parameters of acinar airways. In particular, the accuracy of determining one of the most important physiological parameter of acinar airways – surface-to-volume ratio – does not exceed several percent. Second, we analyze the effect of the susceptibility induced inhomogeneous magnetic field on the parameter estimate and demonstrate that this effect is rather negligible at B0 ≤ 3T and becomes substantial only at higher B0 Third, we theoretically derive an optimal choice of MR pulse sequence parameters, which should be used to acquire a series of diffusion attenuated MR signals, allowing a substantial decrease in the acquisition time and improvement in accuracy of the results. It is demonstrated that the optimal choice represents three not equidistant b-values: b1 = 0, b2 ~ 2 s/cm2, b3 ~ 8 s/cm2. PMID:20937564

Estimation of forest fuel load from radar remote sensing

USGS Publications Warehouse

Saatchi, S.; Halligan, K.; Despain, Don G.; Crabtree, R.L.

2007-01-01

Understanding fire behavior characteristics and planning for fire management require maps showing the distribution of wildfire fuel loads at medium to fine spatial resolution across large landscapes. Radar sensors from airborne or spaceborne platforms have the potential of providing quantitative information about the forest structure and biomass components that can be readily translated to meaningful fuel load estimates for fire management. In this paper, we used multifrequency polarimetric synthetic aperture radar (SAR) imagery acquired over a large area of the Yellowstone National Park by the Airborne SAR sensor to estimate the distribution of forest biomass and canopy fuel loads. Semiempirical algorithms were developed to estimate crown and stem biomass and three major fuel load parameters, namely: 1) canopy fuel weight; 2) canopy bulk density; and 3) foliage moisture content. These estimates, when compared directly to measurements made at plot and stand levels, provided more than 70% accuracy and, when partitioned into fuel load classes, provided more than 85% accuracy. Specifically, the radar-generated fuel parameters were in good agreement with the field-based fuel measurements, resulting in coefficients of determination of R2 = 85 for the canopy fuel weight, R 2 = 0.84 for canopy bulk density, and R2 =0.78 for the foliage biomass. ?? 2007 IEEE.

Quantitative structure-retention relationships of polycyclic aromatic hydrocarbons gas-chromatographic retention indices.

PubMed

Drosos, Juan Carlos; Viola-Rhenals, Maricela; Vivas-Reyes, Ricardo

2010-06-25

Polycyclic aromatic compounds (PAHs) are of concern in environmental chemistry and toxicology. In the present work, a QSRR study was performed for 209 previously reported PAHs using quantum mechanics and other sources descriptors estimated by different approaches. The B3LYP/6-31G* level of theory was used for geometrical optimization and quantum mechanics related variables. A good linear relationship between gas-chromatographic retention index and electronic or topologic descriptors was found by stepwise linear regression analysis. The molecular polarizability (alpha) and the second order molecular connectivity Kier and Hall index ((2)chi) showed evidence of significant correlation with retention index by means of important squared coefficient of determination, (R(2)), values (R(2)=0.950 and 0.962, respectively). A one variable QSRR model is presented for each descriptor and both models demonstrates a significant predictive capacity established using the leave-many-out LMO (excluding 25% of rows) cross validation method's q(2) cross-validation coefficients q(2)(CV-LMO25%), (obtained q(2)(CV-LMO25%) 0.947 and 0.960, respectively). Furthermore, the physicochemical interpretation of selected descriptors allowed detailed explanation of the source of the observed statistical correlation. The model analysis suggests that only one descriptor is sufficient to establish a consistent retention index-structure relationship. Moderate or non-significant improve was observed for quantitative results or statistical validation parameters when introducing more terms in predictive equation. The one parameter QSRR proposed model offers a consistent scheme to predict chromatographic properties of PAHs compounds. Copyright 2010 Elsevier B.V. All rights reserved.

Physical properties and scaling relations of molecular clouds: the effect of stellar feedback

NASA Astrophysics Data System (ADS)

Grisdale, Kearn; Agertz, Oscar; Renaud, Florent; Romeo, Alessandro B.

2018-06-01

Using hydrodynamical simulations of entire galactic discs similar to the Milky Way, reaching 4.6{ pc} resolution, we study the origins of observed physical properties of giant molecular clouds (GMCs). We find that efficient stellar feedback is a necessary ingredient in order to develop a realistic interstellar medium (ISM), leading to molecular cloud masses, sizes, velocity dispersions and virial parameters in excellent agreement with Milky Way observations. GMC scaling relations observed in the Milky Way, such as the mass-size (M-R), velocity dispersion-size (σ-R), and the σ-RΣ relations, are reproduced in a feedback driven ISM when observed in projection, with M∝R2.3 and σ∝R0.56. When analysed in 3D, GMC scaling relations steepen significantly, indicating potential limitations of our understanding of molecular cloud 3D structure from observations. Furthermore, we demonstrate how a GMC population's underlying distribution of virial parameters can strongly influence the scatter in derived scaling relations. Finally, we show that GMCs with nearly identical global properties exist in different evolutionary stages, where a majority of clouds being either gravitationally bound or expanding, but with a significant fraction being compressed by external ISM pressure, at all times.

Na 3Cr 2P 3S 12 and K 3Cr 2P 3S 12: Two New One-Dimensional Thiophosphate Compounds with a Novel Structure

NASA Astrophysics Data System (ADS)

Coste, S.; Kopnin, E.; Evain, M.; Jobic, S.; Payen, C.; Brec, R.

2001-12-01

Two new alkali metal chromium thiophosphates, Na3Cr2P3S12 and K3Cr2P3S12, have been synthesized and their structure determined from single-crystal or powder X-ray diffraction analyses. These isostructural compounds, which exhibit a novel structural arrangement, crystallize in the monoclinic system (space group P21/c) with the cell parameters a=17.4076(10) Å, b=11.1723(10) Å, c=19.2502(11) Å, β=149.731(3)° (V=1887.1(2) Å3, Z=4) and a=17.9690(14) Å, b=12.0607(5) Å, c=19.3109(16) Å, β=150.008(3)° (V=2091.98(16) Å3, Z=4) for Na3Cr2P3S12 (I) and K3Cr2P3S12 (II), respectively. For (I), the single-crystal refinement led to R/Rw(F2)=0.0417/0.0650 (for 4125 independent reflections and 182 refined parameters). For (II), the Rietveld refinement led to Rp/Rwp=0.0181/0.0233 (for 90 refined parameters). In both materials, the structures consist of 1∞[Cr2P3S12]3- chains built upon two edge-sharing [CrS6] octahedra capped by two [PS4] tetrahedra defining isolated [Cr2P2S12]-8 entities. These entities are linked to each other through an extra [PS4] tetrahedral group. Magnetic measurements evidence antiferromagnetic coupling between Cr3+ cations. The charge balance of the phase is MI3CrIII2PV3S-II12.

New insights into the crystal chemistry of agardite-(Ce): refinement of the crystal structure, hydrogen bonding, and epitaxial intergrowths with the Sb-analogue of auriacusite

NASA Astrophysics Data System (ADS)

Aksenov, Sergey M.; Chukanov, Nikita V.; Göttlicher, Jörg; Möckel, Steffen; Varlamov, Dmitriy; Van, Konstantin V.; Rastsvetaeva, Ramiza K.

2018-01-01

Agardite-(Ce) from Clara Mine, Schwarzwald, Germany, has been investigated by means of electron microprobe analysis, single-crystal X-ray analysis, XANES spectroscopy and IR spectroscopy. Hexagonal unit-cell parameters are: a = 13.598(6), c = 5.954(3) Å; V = 953.5(2) Å3; space group P63/ m. The structure has been solved and refined to final R 1 = 3.87%, w R 2 = 5.02 for 786 I > 3 σ( I). Hydrogen atoms have been localized. The crystal-chemical formula is ( Z = 2): A(1)(Ce0.82Ca0.14Sr0.04)Σ1.00 A(2)(Ca0.03Ce0.02)Σ0.05 [Cu5.75(Fe3+, Mn)0.20]Σ5.95 [ T(1)(AsO4) 2.96 T(2) (SbO4)0.04)]Σ3.00 (OH)5.96O0.04·3H2O. Hydrogen bonding in agardite-series minerals has been characterized for the first time. IR spectra of agardite-(Ce) and agardite-(Nd) from Lavrion used for comparison, as well as structural data indicate the presence of isolated H+ cations that do not form strong covalent bonds with coordinating O atoms. Agardite-(Ce) from Clara Mine forms epitaxial growths with the Sb-analogue of auriacusite. The latter mineral was characterized by EDS analyses; its typical empirical formulae are {Ca}_{0.0 6} {Ce}_{0.0 4} {Fe}^{ 3+ }{}_{ 1.0 6} {Cu}_{0. 8 9}[(SbO4)0.58(AsO4)0.38(SiO4)0.04]Σ1.00(O,OH) and {Ca}_{0.0 7 5} {Ce}_{0.0 4} {Fe}^{ 3+ }{}_{0. 9 3} {Cu}_{0. 9 7}[(SbO4)0.59(AsO4)0.35(SiO4)0.06]Σ1.00(O,OH). The formation of uniaxial growths of the Sb-analogue of auriacusite and agardite-(Ce) is caused by the close values of their c parameters (for auriacusite s.s. c = 5.9501(5) Å). Three-valence state of iron and five-valence of antimony in both minerals has been validated by means of Fe K- and Sb L 2,3-edge XANES spectroscopy.

Designing of phenol-based β-carbonic anhydrase1 inhibitors through QSAR, molecular docking, and MD simulation approach.

PubMed

Ahamad, Shahzaib; Hassan, Md Imtaiyaz; Dwivedi, Neeraja

2018-05-01

Tuberculosis (Tb) is an airborne infectious disease caused by Mycobacterium tuberculosis. Beta-carbonic anhydrase 1 ( β-CA1 ) has emerged as one of the potential targets for new antitubercular drug development. In this work, three-dimensional quantitative structure-activity relationships (3D-QSAR), molecular docking, and molecular dynamics (MD) simulation approaches were performed on a series of natural and synthetic phenol-based β-CA1 inhibitors. The developed 3D-QSAR model ( r 2  = 0.94, q 2  = 0.86, and pred_r 2  = 0.74) indicated that the steric and electrostatic factors are important parameters to modulate the bioactivity of phenolic compounds. Based on this indication, we designed 72 new phenolic inhibitors, out of which two compounds (D25 and D50) effectively stabilized β-CA1 receptor and, thus, are potential candidates for new generation antitubercular drug discovery program.

Towards a "Golden Standard" for computing globin stability: Stability and structure sensitivity of myoglobin mutants.

PubMed

Kepp, Kasper P

2015-10-01

Fast and accurate computation of protein stability is increasingly important for e.g. protein engineering and protein misfolding diseases, but no consensus methods exist for important proteins such as globins, and performance may depend on the type of structural input given. This paper reports benchmarking of six protein stability calculators (POPMUSIC 2.1, I-Mutant 2.0, I-Mutant 3.0, CUPSAT, SDM, and mCSM) against 134 experimental stability changes for mutations of sperm-whale myoglobin. Six different high-resolution structures were used to test structure sensitivity that may impair protein calculations. The trend accuracy of the methods decreased as I-Mutant 2.0 (R=0.64-0.65), SDM (R=0.57-0.60), POPMUSIC2.1 (R=0.54-0.57), I-Mutant 3.0 (R=0.53-0.55), mCSM (R=0.35-0.47), and CUPSAT (R=0.25-0.48). The mean signed errors increased as SDM

Dietary Inflammatory Index and Cardiometabolic Risk Parameters in Overweight and Sedentary Subjects.

PubMed

Camargo-Ramos, Claudia Marcela; Correa-Bautista, Jorge Enrique; Correa-Rodríguez, María; Ramírez-Vélez, Robinson

2017-10-06

Nutrition has been established as a relevant factor in the development of cardiovascular disease (CVD). We aimed to investigate the relationship between the dietary inflammatory index (DII) and cardiometabolic risk parameters in a cohort of 90 overweight and sedentary adults from Bogotá, Colombia. A 24-h dietary record was used to calculate the DII. Body composition variables, flow-mediated dilation (FMD), pulse wave velocity (PWV), lipid profile, glucose, glycosylated hemoglobin (Hb1Ac), and blood pressure were measured and a cardiometabolic risk score (MetScore) was calculated. A lower DII score (anti-inflammatory diet) was significantly associated with higher high-density lipoprotein-cholesterol (HDL-C) and FMD, and lower Hb1Ac and MetScore ( p < 0.05). A lower DII score was inversely correlated with plasma triglyceride levels ( r = -0.354, p < 0.05), glucose ( r = -0.422, p < 0.05), MetScore ( r = -0.228, p < 0.05), and PWV ( r = -0.437, p < 0.05), and positively with FMD ( r = 0.261, p < 0.05). In contrast, a higher DII score (pro-inflammatory diet) showed a positive relationship with MetScore ( r = 0.410, p < 0.05) and a negative relationship with FMD ( r = -0.233, p < 0.05). An increased inflammatory potential of diet was inversely associated with an improved cardiometabolic profile, suggesting the importance of promoting anti-inflammatory diets as an effective strategy for preventing CVD.

SU-F-R-13: Decoding 18F-FDG Uptake Heterogeneity for Primary and Lymphoma Tumors by Using Texture Analysis in PET Images

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, C; Yin, Y

Purpose: To explore 18F-FDG uptake heterogeneity of primary tumor and lymphoma tumor by texture features of PET image and quantify the heterogeneity difference between primary tumor and lymphoma tumor. Methods: 18 patients with primary tumor and lymphoma tumor in lung cancer were enrolled. All patients underwent whole-body 18F-FDG PET/CT scans before treatment. Texture features, based on Gray-level Co-occurrence Matrix, second and high order matrices are extracted from code using MATLAB software to quantify 18F-FDG uptake heterogeneity. The relationships of volume between energy, entropy, correlation, homogeneity and contrast were analyzed. Results: For different cases, tumor heterogeneity was not the same. Texturemore » parameters (contrast, entropy, and correlation) of lymphoma were lower than primary tumor. On the contrast, the texture parameters (energy, homogeneity and inverse different moment) of lymphoma were higher than primary tumor. Significantly, correlations were observed between volume and energy (primary, r=−0.194, p=0.441; lymphoma, r=−0.339, p=0.582), homogeneity (primary, r=−0.146, p=0.382; lymphoma, r=−0.193, p=0.44), inverse difference moment (primary, r=−0.14, p=0.374; lymphoma, r=−0.172, p=0.414) and a positive correlation between volume and entropy (primary, r=0.233, p=0.483; lymphoma, r=0.462, p=0.680), contrast (primary, r=0.159, p=0.399; lymphoma, r=0.341, p=0.584), correlation (primary, r=0.027, p=0.165; lymphoma, r=0.046, p=0.215). For the same patient, energy for primary and lymphoma tumor is equal. The volume of lymphoma is smaller than primary tumor, but the homogeneity were higher than primary tumor. Conclusion: This study showed that there were effective heterogeneity differences between primary and lymphoma tumor by FDG-PET image texture analysis.« less

What is the Main Potential Factor Influencing Ocular Protrusion?

PubMed

Li, Yinwei; Su, Yun; Song, Xuefei; Zhou, Huifang; Fan, Xianqun

2017-01-05

BACKGROUND The aim of the present study was to establish the normal-range orbital parameters and to explore the relationships between ocular protrusion and various orbital morphological factors. MATERIAL AND METHODS A retrospective, non-comparative case series was conducted from January 2014 to December 2015. We recruited 56 subjects (112 orbits), including 27 males (21 to 87 years of age) and 29 females (22 to 88 years of age) in this study. Nine length measurements, 2 angle measurements, and 2 volume measurements of various aspects of the orbit were obtained using Mimics v18.0 software. The data were collected manually using a 3D measurement technique. Statistical analyses using t tests and Pearson's correlation analyses were performed to evaluate the differences and relationships between the parameters, respectively. RESULTS Ocular protrusion in both sexes was closely related to the following values: orbital soft tissue volume (OSTV) (males: r=0.61, p<0.001; females: r=0.39, p=0.003), orbital soft tissue volume/bony orbital volume (OSTV/BOV) (males: r=0.90, p<0.001; females: r=0.87, p<0.001), orbital width (males: r=0.40, p=0.003; females: r=0.53, p<0.001), orbital height (males: r=0.29, p=0.038; females: r=0.45, p<0.001), and globe diameter (males: r=0.52, p<0.001; females: r=0.48, p<0.001). No differences were found between the right and left orbits. CONCLUSIONS The study provides insight into the potential factors that influence ocular protrusion, which include the OSTV/BOV ratio, the shape of the orbital aperture, and the ocular axial length. The results of orbital surgery can be made more predictable by accounting for these 3 factors. The database and regression formula might provide support for surgical planning in the future.

Characterizations of structural, biochemical, and nutritive profiles in silage among cool-season corn cultivars in relation to heat units (aCHU, dCHU) with curvilinear response and multivariate analyses.

PubMed

Abeysekara, Saman; Christensen, David A; Yu, Peiqiang

2013-12-18

Molecular spectroscopy is able to reveal structural features of biomaterials. Corn grown in Canadian prairies is known as cool-season corn, which is different from warm-season corn varieties. To our knowledge, to date, there has been no study on the magnitude difference in structure on a molecular basis among cultivars, no study on biochemical and nutritive profiles associated with heat unit, and no study on how heat unit affects the molecular structure and biochemical and nutritive profiles. This study investigates how corn varieties grown in cooler climates are affected by crop heat units (CHU) in relation to molecular spectral profiles, nutrient storage, biochemical composition, and nutritive value of silage among different cool-season corn cultivars. Corn cultivars (Pioneer and Dekalb) were from seven farm locations, and samples were analyzed for major nutrients (digestible and metabolic energy and protein). The Fourier transform infrared (FT/IR) spectroscopic technique was applied to understand and differentiate molecular structural spectral profiles in silage. A correlation (P < 0.05) of CHU with some nutrients (mean ± SD, %DM) (CP, 8.1 ± 1.3, r = 0.56; NDF, 56.3 ± 3.5, r = -0.54; ADF, 33.6 ± 2.3, r = -0.71; NDICP, 1.6 ± 0.4, r = -0.66; SCP, 4.2 ± 1.3, r = 0.61), protein and carbohydrate fractions (mean ± SD, %DM) (PB1 (= fast degradable protein fraction), 1.3 ± 0.4, r = 0.54; PB3 (= slowly degradable protein fraction), 1.5 ± 0.4, r = -0.74; CB2 (= medium degradable carbohydrate fraction), 45.1 ± 2.8, r = -0.65; CB3 (= slowly degradable carbohydrate fraction), 13.9 ± 0.9, r = -0.54) and intestinal availability of ruminally degraded fractions (mean ± SD, %DM) (rdPB1, 1.1 ± 0.3, r = 0.54; rdPB3, 1.0 ± 0.3, r = -0.74; RDP, 6.6 ± 1.2, r = 0.59; rdCB2, 40.0 ± 2.5, r = -0.65; rdCB3, 8.9 ± 0.6, r = 0.54; RDCHO, 50.1 ± 2.9, r = -0.65) was found contentious. Molecular spectral data indicated many similarities and few differences among the cultivars. However, CHU correlated (r = -0.4, P < 0.05) with molecular spectral intensity ratio of carbohydrate to amide I. This result indicates that molecular structural differences may be influenced by epiphytic bacterial compounds. Cool corn cultivars were grown acceptably well in cooler dry climates, and those silages had acceptable nutrient levels for cattle. Cultivars that reached target CHU were found to be optimal in nutrient and energy synchronization aspect.

The paradoxical zero reflection at zero energy

NASA Astrophysics Data System (ADS)

Ahmed, Zafar; Sharma, Vibhu; Sharma, Mayank; Singhal, Ankush; Kaiwart, Rahul; Priyadarshini, Pallavi

2017-03-01

Usually, the reflection probability R(E) of a particle of zero energy incident on a potential which converges to zero asymptotically is found to be 1: R(0)=1. But earlier, a paradoxical phenomenon of zero reflection at zero energy (R(0)=0) has been revealed as a threshold anomaly. Extending the concept of half-bound state (HBS) of 3D, here we show that in 1D when a symmetric (asymmetric) attractive potential well possesses a zero-energy HBS, R(0)=0 (R(0)\\ll 1). This can happen only at some critical values q c of an effective parameter q of the potential well in the limit E\\to {0}+. We demonstrate this critical phenomenon in two simple analytically solvable models: square and exponential wells. However, in numerical calculations, even for these two models R(0)=0 is observed only as extrapolation to zero energy from low energies, close to a precise critical value q c. By numerical investigation of a variety of potential wells, we conclude that for a given potential well (symmetric or asymmetric), we can adjust the effective parameter q to have a low reflection at a low energy.

On the vibrational spectra and structural parameters of methyl, silyl, and germyl azide from theoretical predictions and experimental data.

PubMed

Durig, Douglas T; Durig, M S; Durig, James R

2005-05-01

The infrared and Raman spectra of methyl, silyl, and germyl azide (XN3 where X=CH3, SiH3 and GeH3) have been predicted from ab initio calculations with full electron correlation by second order perturbation theory (MP2) and hybrid density function theory (DFT) by the B3LYP method with a variety of basis sets. These predicted data are compared to previously reported experimental data and complete vibrational assignments are provided for all three molecules. It is shown that several of the assignments recently proposed [J. Mol. Struct. (Theochem.) 434 (1998) 1] for methyl azide are not correct. Structural parameters for CH3N3 and GeH3N3 have been obtained by combining the previously reported microwave rotational constants with the ab initio MP2/6-311+G(d,p) predicted values. These "adjusted r0" parameters have very small uncertainties of +/-0.003 A for the XH distances and a maximum of +/-0.005 A for the heavy atom distances and +/-0.5 degrees for the angles. The predicted distance for the terminal NN bond which is nearly a triple bond is much better predicted by the B3LYP calculations, whereas the fundamental frequencies are better predicted by the scaled ab initio calculations. The results are discussed and compared to those obtained for some similar molecules.

Predicting temperature drop rate of mass concrete during an initial cooling period using genetic programming

NASA Astrophysics Data System (ADS)

Bhattarai, Santosh; Zhou, Yihong; Zhao, Chunju; Zhou, Huawei

2018-02-01

Thermal cracking on concrete dams depends upon the rate at which the concrete is cooled (temperature drop rate per day) within an initial cooling period during the construction phase. Thus, in order to control the thermal cracking of such structure, temperature development due to heat of hydration of cement should be dropped at suitable rate. In this study, an attempt have been made to formulate the relation between cooling rate of mass concrete with passage of time (age of concrete) and water cooling parameters: flow rate and inlet temperature of cooling water. Data measured at summer season (April-August from 2009 to 2012) from recently constructed high concrete dam were used to derive a prediction model with the help of Genetic Programming (GP) software “Eureqa”. Coefficient of Determination (R) and Mean Square Error (MSE) were used to evaluate the performance of the model. The value of R and MSE is 0.8855 and 0.002961 respectively. Sensitivity analysis was performed to evaluate the relative impact on the target parameter due to input parameters. Further, testing the proposed model with an independent dataset those not included during analysis, results obtained from the proposed GP model are close enough to the real field data.

A microcantilever device to assess the effect of force on the lifetime of selectin-carbohydrate bonds.

PubMed Central

Tees, D F; Waugh, R E; Hammer, D A

2001-01-01

A microcantilever technique was used to apply force to receptor-ligand molecules involved in leukocyte rolling on blood vessel walls. E-selectin was adsorbed onto 3-microm-diameter, 4-mm-long glass fibers, and the selectin ligand, sialyl Lewis(x), was coupled to latex microspheres. After binding, the microsphere and bound fiber were retracted using a computerized loading protocol that combines hydrodynamic and Hookean forces on the fiber to produce a range of force loading rates (force/time), r(f). From the distribution of forces at failure, the average force was determined and plotted as a function of ln r(f). The slope and intercept of the plot yield the unstressed reverse reaction rate, k(r)(o), and a parameter that describes the force dependence of reverse reaction rates, r(o). The ligand was titrated so adhesion occurred in approximately 30% of tests, implying that >80% of adhesive events involve single bonds. Monte Carlo simulations show that this level of multiple bonding has little effect on parameter estimation. The estimates are r(o) = 0.048 and 0.016 nm and k(r)(o) = 0.72 and 2.2 s(-1) for loading rates in the ranges 200-1000 and 1000-5000 pN s(-1), respectively. Levenberg-Marquardt fitting across all values of r(f) gives r(o) = 0.034 nm and k(r)(o) = 0.82 s(-1). The values of these parameters are in the range required for rolling, as suggested by adhesive dynamics simulations. PMID:11159435

Refinement of iron ore sinter phases: a silico-ferrite of calcium and aluminium (SFCA) and an Al-free SFC, and the effect on phase quantification by X-ray diffraction

NASA Astrophysics Data System (ADS)

Liles, David C.; de Villiers, Johan P. R.; Kahlenberg, Volker

2016-02-01

Crystals of a silico-ferrite of calcium and aluminium (SFCA) and an Al-free SFC were prepared from the melt by slow cooling of synthetically prepared mixtures and examined by single-crystal diffraction methods. Both crystals belong to the space group P-1. SFC has lattice parameters a = 9.1255(3) Å, b = 10.1189(3) Å, c = 10.6183(2) Å, α = 63.9554(9)°, β = 84.4964(11)°, γ = 65.6706(9)° with a final R(|F|) = 0.024. SFCA has a cell with a = 9.0738(9)Å, b = 10.0474(10)Å, c = 10.5611(10) Å, α = 64.061(3)°, β = 84.356(3)°, γ = 65.722(3)° with a final R(|F|) = 0.030. The SFC structure was transformed to the cell used by Hamilton et al. (1989) and refined to an R(|F|) = 0.024. All the atomic positions are equivalent to those reported by Hamilton et al. (1989) with the exception of one (Ca,Fe) position and two oxygen positions that are displaced from the published positions by 0.5 y (Ca,Fe1), 0.5 z (O4), or 0.5 x (O12). This is ascribed to transcription errors in the published crystal structure data. The calculated powder pattern of SFCA (this study) was compared with the experimental data and it shows that the low angle peak intensities agree significantly better than those calculated from the published atomic positions. Additional electron density is located in proximity to the octahedral and tetrahedral cation sites of the main structure. These positions, coupled with the partially occupied cation sites of the main structure, suggest a minor sharing of cations between the main cation sites and the additional sites.

Size dependence of the melting temperature of metallic nanoclusters from the viewpoint of the thermodynamic theory of similarity

NASA Astrophysics Data System (ADS)

Samsonov, V. M.; Vasilyev, S. A.; Bembel, A. G.

2016-08-01

The generalized Thomson formula T m = T m (∞) (1-δ) R for the melting point of small objects T m has been analyzed from the viewpoint of the thermodynamic theory of similarity, where R is the radius of the particle and T m (∞) is the melting point of the corresponding large crystal. According to this formula, the parameter δ corresponds to the value of the radius of the T m ( R -1) particle obtained by the linear extrapolation of the dependence to the melting point of the particle equal to 0 K. It has been shown that δ = αδ0, where α is the factor of the asphericity of the particle (shape factor). In turn, the redefined characteristic length δ0 is expressed through the interphase tension σ sl at the boundary of the crystal with its own melt, the specific volume of the solid phase v s and the macroscopic value of the heat of fusion λ∞:δ0 = 2σ sl v s /λ∞. If we go from the reduced radius of the particle R/δ to the redefined reduced radius R/ r 1 or R/ d, where r 1 is the radius of the first coordination shell and d ≈ r 1 is the effective atomic diameter, then the simplex δ/ r 1 or δ/ d will play the role of the characteristic criterion of thermodynamic similarity. At a given value of α, this role will be played by the simplex Estimates of the parameters δ0 and δ0/ d have been carried out for ten metals with different lattice types. It has been shown that the values of the characteristic length δ0 are close to 1 nm and that the simplex δ0/ d is close to unity. In turn, the calculated values of the parameter δ agree on the order of magnitude with existing experimental data.

Reliability of a Single Light Source Purkinjemeter in Pseudophakic Eyes.

PubMed

Janunts, Edgar; Chashchina, Ekaterina; Seitz, Berthold; Schaeffel, Frank; Langenbucher, Achim

2015-08-01

To study the reliability of Purkinje image analysis for assessment of intraocular lens tilt and decentration in pseudophakic eyes. The study comprised 64 eyes of 39 patients. All eyes underwent phacoemulsification with intraocular lens implanted in the capsular bag. Lens decentration and tilt were measured multiple times by an infrared Purkinjemeter. A total of 396 measurements were performed 1 week and 1 month postoperatively. Lens tilt (Tx, Ty) and decentration (Dx, Dy) in horizontal and vertical directions, respectively, were calculated by dedicated software based on regression analysis for each measurement using only four images, and afterward, the data were averaged (mean values, MV) for repeated sequence of measurements. New software was designed by us for recalculating lens misalignment parameters offline, using a complete set of Purkinje images obtained through the repeated measurements (9 to 15 Purkinje images) (recalculated values, MV'). MV and MV' were compared using SPSS statistical software package. MV and MV' were found to be highly correlated for the Tx and Ty parameters (R2 > 0.9; p < 0.001), moderately correlated for the Dx parameter (R2 > 0.7; p < 0.001), and weakly correlated for the Dy parameter (R2 = 0.23; p < 0.05). Reliability was high (Cronbach α > 0.9) for all measured parameters. Standard deviation values were 0.86 ± 0.69 degrees, 0.72 ± 0.65 degrees, 0.04 ± 0.05 mm, and 0.23 ± 0.34 mm for Tx, Ty, Dx, and Dy, respectively. The Purkinjemeter demonstrated high reliability and reproducibility for lens misalignment parameters. To further improve reliability, we recommend capturing at least six Purkinje images instead of three.

Backbone dynamics in an intramolecular prolylpeptide-SH3 complex from the diphtheria toxin repressor, DtxR

PubMed Central

Bhattacharya, Nilakshee; Yi, Myunggi; Zhou, Huan-Xiang; Logan, Timothy M.

2008-01-01

Summary The diphtheria toxin repressor contains an SH3-like domain that forms an intramolecular complex with a proline-rich (Pr) peptide segment and stabilizes the inactive state of the repressor. Upon activation of DtxR by transition metals, this intramolecular complex must dissociate as the SH3 domain and Pr segment form different interactions in the active repressor. In this study we investigate the dynamics of this intramolecular complex using backbone amide nuclear spin relaxation rates determined using NMR spectroscopy and molecular dynamics trajectories. The SH3 domain in the unbound and bound states showed typical dynamics in that the secondary structures were fairly ordered with high generalized order parameters and low effective correlation times while residues in the loops connecting β-strands exhibited reduced generalized order parameters and required additional motional terms to adequately model the relaxation rates. Residues forming the Pr segment exhibited low order parameters with internal rotational correlation times on the order of 0.6 – 1 ns. Further analysis showed that the SH3 domain was rich in millisecond timescale motions while the Pr segment was rich in motions on the 100s μs timescale. Molecular dynamics simultations indicated structural rearrangements that may contribute to the observed relaxation rates and, together with the observed relaxation rate data, suggested that the Pr segment exhibits a binding ↔ unbinding equilibrium. The results of this study provide new insights into the nature of the intramolecular complex and provide a better understanding of the biological role of the SH3 domain in regulating DtxR activity. PMID:17976643

Application of impulse oscillometry and bronchial dilation test for analysis in patients with asthma and chronic obstructive pulmonary disease

PubMed Central

Li, Yueyue; Chen, Yang; Wang, Ping

2015-01-01

Impulse oscillometry (IOS) is a good method for measuring airway resistance. The aim of this study was to assess the diagnostic contribution of IOS combined with bronchial dilation test (BDT) when distinguishing between patients with asthma and those with chronic obstructive pulmonary disease (COPD). 870 were enrolled in the study including 561 patients with asthma, 100 patients with COPD and 209 patients with chronic coughing or normal subjects. All the participants underwent routine pulmonary function tests, IOS and BDT examination. And IOS examination was before and after BDT. IOS parameters (R5, R20, R25, R35, X5, X20, X25, X35, Fres, Zrs & RP) and forced expiratory volume in one second (FEV1) were recorded. Receiver operating characteristics (ROC) curve analysis was performed to evaluate the diagnostic ability to differentiate asthma and COPD. The discriminative power of the various parameters studied was determined by means of ROC curves: the area under the curve (AUC), sensitivity and specificity. The X5, X20, X25, X35, Fres, Zrs and Rp correlated better with COPD. In particular, X5, Fres and X25 have been found to be significantly correlated with COPD. The diagnostic efficiency of X5, Fres and X25 when diagnosis COPD, expressed by ROC curve parameters, was as follows: AUC (0.725, 0.730, 0.724), sensitivity (67%, 77%, 83%) and specificity (68%, 65%, 58%), respectively. The diagnostic efficiency of Zrs, R5 and X35 when diagnosis asthma, expressed by ROC curve parameters, was as follows: AUC (0.721, 0.710, 0.695), sensitivity (62%, 72%, 53%) and specificity (72%, 61%, 76%), respectively. Our findings show, that X5, X25 and Fres may be useful for predictions and evaluations for COPD. And R5, X35 and Zrs may provide useful IOS parameters for asthma. IOS combined BDT could be useful diagnostic and differential diagnosis between asthma and COPD. PMID:25785124

Application of impulse oscillometry and bronchial dilation test for analysis in patients with asthma and chronic obstructive pulmonary disease.

PubMed

Li, Yueyue; Chen, Yang; Wang, Ping

2015-01-01

Impulse oscillometry (IOS) is a good method for measuring airway resistance. The aim of this study was to assess the diagnostic contribution of IOS combined with bronchial dilation test (BDT) when distinguishing between patients with asthma and those with chronic obstructive pulmonary disease (COPD). 870 were enrolled in the study including 561 patients with asthma, 100 patients with COPD and 209 patients with chronic coughing or normal subjects. All the participants underwent routine pulmonary function tests, IOS and BDT examination. And IOS examination was before and after BDT. IOS parameters (R5, R20, R25, R35, X5, X20, X25, X35, Fres, Zrs & RP) and forced expiratory volume in one second (FEV1) were recorded. Receiver operating characteristics (ROC) curve analysis was performed to evaluate the diagnostic ability to differentiate asthma and COPD. The discriminative power of the various parameters studied was determined by means of ROC curves: the area under the curve (AUC), sensitivity and specificity. The X5, X20, X25, X35, Fres, Zrs and Rp correlated better with COPD. In particular, X5, Fres and X25 have been found to be significantly correlated with COPD. The diagnostic efficiency of X5, Fres and X25 when diagnosis COPD, expressed by ROC curve parameters, was as follows: AUC (0.725, 0.730, 0.724), sensitivity (67%, 77%, 83%) and specificity (68%, 65%, 58%), respectively. The diagnostic efficiency of Zrs, R5 and X35 when diagnosis asthma, expressed by ROC curve parameters, was as follows: AUC (0.721, 0.710, 0.695), sensitivity (62%, 72%, 53%) and specificity (72%, 61%, 76%), respectively. Our findings show, that X5, X25 and Fres may be useful for predictions and evaluations for COPD. And R5, X35 and Zrs may provide useful IOS parameters for asthma. IOS combined BDT could be useful diagnostic and differential diagnosis between asthma and COPD.

Image quality of iterative reconstruction in cranial CT imaging: comparison of model-based iterative reconstruction (MBIR) and adaptive statistical iterative reconstruction (ASiR).

PubMed

Notohamiprodjo, S; Deak, Z; Meurer, F; Maertz, F; Mueck, F G; Geyer, L L; Wirth, S

2015-01-01

The purpose of this study was to compare cranial CT (CCT) image quality (IQ) of the MBIR algorithm with standard iterative reconstruction (ASiR). In this institutional review board (IRB)-approved study, raw data sets of 100 unenhanced CCT examinations (120 kV, 50-260 mAs, 20 mm collimation, 0.984 pitch) were reconstructed with both ASiR and MBIR. Signal-to-noise (SNR) and contrast-to-noise (CNR) were calculated from attenuation values measured in caudate nucleus, frontal white matter, anterior ventricle horn, fourth ventricle, and pons. Two radiologists, who were blinded to the reconstruction algorithms, evaluated anonymized multiplanar reformations of 2.5 mm with respect to depiction of different parenchymal structures and impact of artefacts on IQ with a five-point scale (0: unacceptable, 1: less than average, 2: average, 3: above average, 4: excellent). MBIR decreased artefacts more effectively than ASiR (p < 0.01). The median depiction score for MBIR was 3, whereas the median value for ASiR was 2 (p < 0.01). SNR and CNR were significantly higher in MBIR than ASiR (p < 0.01). MBIR showed significant improvement of IQ parameters compared to ASiR. As CCT is an examination that is frequently required, the use of MBIR may allow for substantial reduction of radiation exposure caused by medical diagnostics. • Model-Based iterative reconstruction (MBIR) effectively decreased artefacts in cranial CT. • MBIR reconstructed images were rated with significantly higher scores for image quality. • Model-Based iterative reconstruction may allow reduced-dose diagnostic examination protocols.

Non Linear Analyses for the Evaluation of Seismic Behavior of Mixed R.C.-Masonry Structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liberatore, Laura; Tocci, Cesare; Masiani, Renato

2008-07-08

In this work the seismic behavior of masonry buildings with mixed structural system, consisting of perimeter masonry walls and internal r.c. frames, is studied by means of non linear static (pushover) analyses. Several aspects, like the distribution of seismic action between masonry and r.c. elements, the local and global behavior of the structure, the crisis of the connections and the attainment of the ultimate strength of the whole structure are examined. The influence of some parameters, such as the masonry compressive and tensile strength, on the structural behavior is investigated. The numerical analyses are also repeated on a building inmore » which the r.c. internal frames are replaced with masonry walls.« less

On the structural properties of small-world networks with range-limited shortcut links

NASA Astrophysics Data System (ADS)

Jia, Tao; Kulkarni, Rahul V.

2013-12-01

We explore a new variant of Small-World Networks (SWNs), in which an additional parameter (r) sets the length scale over which shortcuts are uniformly distributed. When r=0 we have an ordered network, whereas r=1 corresponds to the original Watts-Strogatz SWN model. These limited range SWNs have a similar degree distribution and scaling properties as the original SWN model. We observe the small-world phenomenon for r≪1, indicating that global shortcuts are not necessary for the small-world effect. For limited range SWNs, the average path length changes nonmonotonically with system size, whereas for the original SWN model it increases monotonically. We propose an expression for the average path length for limited range SWNs based on numerical simulations and analytical approximations.

Heuristic lipophilicity potential for computer-aided rational drug design: Optimizations of screening functions and parameters

NASA Astrophysics Data System (ADS)

Du, Qishi; Mezey, Paul G.

1998-09-01

In this research we test and compare three possible atom-basedscreening functions used in the heuristic molecular lipophilicity potential(HMLP). Screening function 1 is a power distance-dependent function, b_{{i}} /| {R_{{i}}- r} |^γ, screening function 2is an exponential distance-dependent function, biexp(-| {R_i- r} |/d_0 , and screening function 3 is aweighted distance-dependent function, {{sign}}( {b_i } ){{exp}}ξ ( {| {R_i- r} |/| {b_i } |} )For every screening function, the parameters (γ ,d0, and ξ are optimized using 41 common organic molecules of 4 types of compounds:aliphatic alcohols, aliphatic carboxylic acids, aliphatic amines, andaliphatic alkanes. The results of calculations show that screening function3 cannot give chemically reasonable results, however, both the powerscreening function and the exponential screening function give chemicallysatisfactory results. There are two notable differences between screeningfunctions 1 and 2. First, the exponential screening function has largervalues in the short distance than the power screening function, thereforemore influence from the nearest neighbors is involved using screeningfunction 2 than screening function 1. Second, the power screening functionhas larger values in the long distance than the exponential screeningfunction, therefore screening function 1 is effected by atoms at longdistance more than screening function 2. For screening function 1, thesuitable range of parameter d0 is 1.5 < d0 < 3.0, and d0 = 2.0 is recommended. HMLP developed in this researchprovides a potential tool for computer-aided three-dimensional drugdesign.

A technique for estimating time of concentration and storage coefficient values for Illinois streams

USGS Publications Warehouse

Graf, Julia B.; Garklavs, George; Oberg, Kevin A.

1982-01-01

Values of the unit hydrograph parameters time of concentration (TC) and storage coefficient (R) can be estimated for streams in Illinois by a two-step technique developed from data for 98 gaged basins in the State. The sum of TC and R is related to stream length (L) and main channel slope (S) by the relation (TC + R)e = 35.2L0.39S-0.78. The variable R/(TC + R) is not significantly correlated with drainage area, slope, or length, but does exhibit a regional trend. Regional values of R/(TC + R) are used with the computed values of (TC + R)e to solve for estimated values of time of concentration (TCe) and storage coefficient (Re). The use of the variable R/(TC + R) is thought to account for variations in unit hydrograph parameters caused by physiographic variables such as basin topography, flood-plain development, and basin storage characteristics. (USGS)

Characterization of Articular Cartilage Recovery and Its Correlation with Optical Response in the Near-Infrared Spectral Range.

PubMed

Afara, Isaac Oluwaseun; Singh, Sanjleena; Moody, Hayley; Zhang, Lihai; Oloyede, Adekunle

2017-07-01

In this study, we examine the capacity of a new parameter, based on the recovery response of articular cartilage, to distinguish between healthy and damaged tissues. We also investigate whether or not this new parameter correlates with the near-infrared (NIR) optical response of articular cartilage. Normal and artificially degenerated (proteoglycan-depleted) bovine cartilage samples were nondestructively probed using NIR spectroscopy. Subsequently they were subjected to a load and unloading protocol, and the recovery response was logged during unloading. The recovery parameter, elastic rebound ( E R ), is based on the strain energy released as the samples underwent instantaneous elastic recovery. Our results reveal positive relationship between the rebound parameter and cartilage proteoglycan content (normal samples: 2.20 ± 0.10 N mm; proteoglycan-depleted samples: 0.50 ± 0.04 N mm for 1 hour of enzymatic treatment and 0.13 ± 0.02 N mm for 4 hours of enzymatic treatment). In addition, multivariate analysis using partial least squares regression was employed to investigate the relationship between E R and NIR spectral data. The results reveal significantly high correlation ( R 2 cal = 98.35% and R 2 val = 79.87%; P < 0.0001), with relatively low error (14%), between the recovery and optical response of cartilage in the combined NIR regions 5,450 to 6,100 cm -1 and 7,500 to 12,500 cm -1 . We conclude that E R can indicate the mechanical condition and state of health of articular cartilage. The correlation of E R with cartilage optical response in the NIR range could facilitate real-time evaluation of the tissue's integrity during arthroscopic surgery and could also provide an important tool for cartilage assessment in tissue engineering and regeneration research.

Statistical Mechanical Theory of Penetrant Diffusion in Polymer Melts and Glasses

NASA Astrophysics Data System (ADS)

Zhang, Rui; Schweizer, Kenneth

We generalize our force-level, self-consistent nonlinear Langevin equation theory of activated diffusion of a dilute spherical penetrant in hard sphere fluids to predict the long-time diffusivity of molecular penetrants in supercooled polymer liquids and non-aging glasses. Chemical complexity is treated using an a priori mapping to a temperature-dependent hard sphere mixture model where polymers are disconnected into effective spheres based on the Kuhn length as the relevant coarse graining scale. A key parameter for mobility is the penetrant to polymer segment diameter ratio, R. Our calculations agree well with experimental measurements for a wide range of temperatures, penetrant sizes (from gas molecules with R ~0.3 to aromatic molecules with R ~1) and diverse amorphous polymers, over 10 decades variation of penetrant diffusivity. Structural parameter transferability is good. We have also formulated a theory at finite penetrant loading for the coupled penetrant-polymer dynamics in chemically (nearly) matched mixtures (e.g., toluene-polystyrene) which captures well the increase of penetrant diffusivity and decrease of polymer matrix vitrification temperature with increasing loading.

The relationship of quantitative nuclear morphology to molecular genetic alterations in the adenoma-carcinoma sequence of the large bowel.

PubMed Central

Mulder, J. W.; Offerhaus, G. J.; de Feyter, E. P.; Floyd, J. J.; Kern, S. E.; Vogelstein, B.; Hamilton, S. R.

1992-01-01

The relationship of abnormal nuclear morphology to molecular genetic alterations that are important in colorectal tumorigenesis is unknown. Therefore, Feulgen-stained isolated nuclei from 22 adenomas and 42 carcinomas that had been analyzed for ras gene mutations and allelic deletions on chromosomes 5q, 18q, and 17p were characterized by computerized image analysis. Both nuclear area and the nuclear shape factor representing irregularity correlated with adenoma-carcinoma progression (r = 0.57 and r = 0.52, P < 0.0001), whereas standard nuclear texture, a parameter of chromatin homogeneity, was inversely correlated with progression (r = -0.80, P < 0.0001). The nuclear parameters were strongly interrelated (P < 0.0005). In multivariate analysis, the nuclear parameters were predominantly associated with adenoma-carcinoma progression (P < or = 0.0001) and were not influenced significantly by the individual molecular genetic alterations. Nuclear texture, however, was inversely correlated with fractional allelic loss, a global measure of genetic changes, in carcinomas (r = -0.39, P = 0.011). The findings indicate that nuclear morphology in colorectal neoplasms is strongly related to tumor progression. Nuclear morphology and biologic behavior appear to be influenced by accumulated alterations in cancer-associated genes. Images Figure 1 PMID:1357973

Arterial stiffness parameters associated with vitamin D deficiency and supplementation in patients with normal cardiac functions.

PubMed

Sünbül, Murat; Çinçin, Altuğ; Bozbay, Mehmet; Mammadov, Ceyhun; Ataş, Halil; Özşenel, Ekmel Burak; Sarı, İbrahim; Başaran, Yelda

2016-06-01

Arterial stiffness parameters including pulse wave velocity (PWV) and augmentation index (AIx) are associated with increased risk of cardiovascular disease. A close relationship has been demonstrated between vitamin D deficiency and cardiovascular disease. The aim of the present study was to investigate effects of vitamin D deficiency and supplementation on arterial stiffness parameters in patients with normal cardiac functions. Study population consisted of 45 patients with vitamin D deficiency and normal cardiac functions. Median age (interquartile range) was 45.0 (12.00) years, and 33 patients were female. Patients were treated with oral administration of vitamin D3. Arterial stiffness parameters were evaluated using Mobil-O-Graph arteriograph system, which detected signals from the brachial artery before and after treatment. Vitamin D levels significantly increased after treatment (9.0 [6.00] nmol/L vs 29.0 [11.50] nmol/L, p<0.001). No significant difference was observed among conventional echocardiographic parameters before or after treatment. Post-treatment PVW and AIx were significantly lower than baseline measurements (6.8 [1.55] m/s vs 6.4 [1.30] m/s, p<0.001 and 23.0 [22.00]% vs 31.0 [14.50]%, p<0.001, respectively). Baseline vitamin D levels significantly correlated with PWV (r=-0.352, p=0.018). Post-treatment vitamin D levels also significantly correlated with post-treatment PWV (r=-0.442, p=0.002) and AIx (r=-0.419, p=0.004). Multivariate linear regression analysis revealed no independent predictor of baseline log-transformed PWV. Vitamin D supplementation has beneficial effects on arterial stiffness. Arterial stiffness parameters may aid in the assessment of cardiovascular risk in patients with vitamin D deficiency.

Physiological stress and performance analysis to karate combat.

PubMed

Chaabene, Helmi; Hellara, Ilhem; Ghali, Faten B; Franchini, Emerson; Neffati, Fedoua; Tabben, Montassar; Najjar, Mohamed F; Hachana, Younés

2016-10-01

This study aimed to evaluate the relationship between physiological, and parameters of performance analysis during karate contest. Nine elite-level karate athletes participated in this study. Saliva sample was collected pre- and post-karate combat. Salivary cortisol (sC) post-combat 2 raised significantly compared to that recorded at pre-combat 1 (Δ%=105.3%; P=0.04; dz=0.78). The largest decrease of the salivary T/C ratio (sR) compared to pre-combat 1 was recorded post-combat 2 (Δ%=-43.5%; P=0.03). Moreover, blood lactate concentration post-combat 1 correlated positively to sCpost-combat 1 (r=0.66; P=0.05) and negatively to both salivary testosterone (sT) (r=-0.76; P=0.01) and sRpost-combat 1 (r=-0.76; P=0.01). There was no significant relationship between hormonal measures and parameters of match analysis. Although under simulated condition, karate combat poses large physiological stress to the karateka. Additionally, physiological strain to karate combat led to a catabolic hormonal response.

Dual-input two-compartment pharmacokinetic model of dynamic contrast-enhanced magnetic resonance imaging in hepatocellular carcinoma.

PubMed

Yang, Jian-Feng; Zhao, Zhen-Hua; Zhang, Yu; Zhao, Li; Yang, Li-Ming; Zhang, Min-Ming; Wang, Bo-Yin; Wang, Ting; Lu, Bao-Chun

2016-04-07

To investigate the feasibility of a dual-input two-compartment tracer kinetic model for evaluating tumorous microvascular properties in advanced hepatocellular carcinoma (HCC). From January 2014 to April 2015, we prospectively measured and analyzed pharmacokinetic parameters [transfer constant (Ktrans), plasma flow (Fp), permeability surface area product (PS), efflux rate constant (kep), extravascular extracellular space volume ratio (ve), blood plasma volume ratio (vp), and hepatic perfusion index (HPI)] using dual-input two-compartment tracer kinetic models [a dual-input extended Tofts model and a dual-input 2-compartment exchange model (2CXM)] in 28 consecutive HCC patients. A well-known consensus that HCC is a hypervascular tumor supplied by the hepatic artery and the portal vein was used as a reference standard. A paired Student's t-test and a nonparametric paired Wilcoxon rank sum test were used to compare the equivalent pharmacokinetic parameters derived from the two models, and Pearson correlation analysis was also applied to observe the correlations among all equivalent parameters. The tumor size and pharmacokinetic parameters were tested by Pearson correlation analysis, while correlations among stage, tumor size and all pharmacokinetic parameters were assessed by Spearman correlation analysis. The Fp value was greater than the PS value (FP = 1.07 mL/mL per minute, PS = 0.19 mL/mL per minute) in the dual-input 2CXM; HPI was 0.66 and 0.63 in the dual-input extended Tofts model and the dual-input 2CXM, respectively. There were no significant differences in the kep, vp, or HPI between the dual-input extended Tofts model and the dual-input 2CXM (P = 0.524, 0.569, and 0.622, respectively). All equivalent pharmacokinetic parameters, except for ve, were correlated in the two dual-input two-compartment pharmacokinetic models; both Fp and PS in the dual-input 2CXM were correlated with Ktrans derived from the dual-input extended Tofts model (P = 0.002, r = 0.566; P = 0.002, r = 0.570); kep, vp, and HPI between the two kinetic models were positively correlated (P = 0.001, r = 0.594; P = 0.0001, r = 0.686; P = 0.04, r = 0.391, respectively). In the dual input extended Tofts model, ve was significantly less than that in the dual input 2CXM (P = 0.004), and no significant correlation was seen between the two tracer kinetic models (P = 0.156, r = 0.276). Neither tumor size nor tumor stage was significantly correlated with any of the pharmacokinetic parameters obtained from the two models (P > 0.05). A dual-input two-compartment pharmacokinetic model (a dual-input extended Tofts model and a dual-input 2CXM) can be used in assessing the microvascular physiopathological properties before the treatment of advanced HCC. The dual-input extended Tofts model may be more stable in measuring the ve; however, the dual-input 2CXM may be more detailed and accurate in measuring microvascular permeability.

Nonlinear Fault Diagnosis,

DTIC Science & Technology

1981-05-01

obtained if one first generates a data base in terms cf the nominal circuit parameters and then extracts the aocrooriate s’pnbo𔃾c transfer functicn from...0 0 0 0 I 0 I 0 0 0 0 Here we initially allow V0 , ICl , VRA ,and IE to be taken as test outputs. The measure of testability 6min is used to extract ...C C IN QQ2M + VB2 R5 R L V 0 LO R2 R Fig. 4 Direct-Coupled Two-Stage Amplifier The component-connection equations for Mode 2 analysis are: VR1 0 0 0 0

Planck data versus large scale structure: Methods to quantify discordance

NASA Astrophysics Data System (ADS)

Charnock, Tom; Battye, Richard A.; Moss, Adam

2017-06-01

Discordance in the Λ cold dark matter cosmological model can be seen by comparing parameters constrained by cosmic microwave background (CMB) measurements to those inferred by probes of large scale structure. Recent improvements in observations, including final data releases from both Planck and SDSS-III BOSS, as well as improved astrophysical uncertainty analysis of CFHTLenS, allows for an update in the quantification of any tension between large and small scales. This paper is intended, primarily, as a discussion on the quantifications of discordance when comparing the parameter constraints of a model when given two different data sets. We consider Kullback-Leibler divergence, comparison of Bayesian evidences and other statistics which are sensitive to the mean, variance and shape of the distributions. However, as a byproduct, we present an update to the similar analysis in [R. A. Battye, T. Charnock, and A. Moss, Phys. Rev. D 91, 103508 (2015), 10.1103/PhysRevD.91.103508], where we find that, considering new data and treatment of priors, the constraints from the CMB and from a combination of large scale structure (LSS) probes are in greater agreement and any tension only persists to a minor degree. In particular, we find the parameter constraints from the combination of LSS probes which are most discrepant with the Planck 2015 +Pol +BAO parameter distributions can be quantified at a ˜2.55 σ tension using the method introduced in [R. A. Battye, T. Charnock, and A. Moss, Phys. Rev. D 91, 103508 (2015), 10.1103/PhysRevD.91.103508]. If instead we use the distributions constrained by the combination of LSS probes which are in greatest agreement with those from Planck 2015 +Pol +BAO this tension is only 0.76 σ .

Structural Health Monitoring for Heterogeneous Systems

DTIC Science & Technology

2006-06-30

composites, The 2 present work concentrates on the applicability of the MPD teclmnique to extract some feature components of "multiple-harmonic...actuator and sensor transfer finctions, rcspectivcly. The parameter CaI) is thc attenuation coefficieint at excitation frequency (Q and RAS is the...an cquilatcral triangle with a spacing of v0- R, and thc angles (t’,B6,Y) equal ton’/ 3 . 8 ag ID Is 20 25 Fig 2: L.:+ Su,,su, .....g distributio. Fig

An Investigation of Fitness and Health Parameters in a U.S. Navy Population.

DTIC Science & Technology

1980-11-30

body weight by percent fat, i-4 0- -1-4 r_4 0% 0 0 14 0% r- r’- 0 co 0 0 0o 01 07 0 0 0 0 0o 0 0 0 0D 0 w 0 0% N r4 r 0 0 0 0W1 - % 0 0 a 00 cn n UI m ...4 - H- r, .*r m 4% IT GoJ en 1-4 %0 %0 𔃺 0% C14 4% H 00 w ~ r ci 1 -4 C𔃾 C14 Go -T IT .t~Z -4 _.? %%~ 0 C𔃾 0 en U, .- 1 c1 en M ~ u, P W q 0% 𔃺...T 0 0~4 co 𔃺 ON 0% 4% cli enJ _.T 4- U 0 L, -.t 00 o en 00 %0 0 C l *q r 0% 14 r_ %0 a% 0 m - %D 0% r, U, 0 0, r1 % 0I %a~~ ~ ~ Ln .-4 0%1 0%W % 1 V 0

Activation of ALDH2 with Low Concentration of Ethanol Attenuates Myocardial Ischemia/Reperfusion Injury in Diabetes Rat Model

PubMed Central

Kang, Pin-Fang; Wu, Wen-Juan; Tang, Yang; Xuan, Ling; Guan, Su-Dong; Tang, Bi; Zhang, Heng

2016-01-01

The aim of this paper is to observe the change of mitochondrial aldehyde dehydrogenase 2 (ALDH2) when diabetes mellitus (DM) rat heart was subjected to ischemia/reperfusion (I/R) intervention and analyze its underlying mechanisms. DM rat hearts were subjected to 30 min regional ischemia and 120 min reperfusion in vitro and pretreated with ALDH2 activator ethanol (EtOH); cardiomyocyte in high glucose (HG) condition was pretreated with ALDH2 activator Alda-1. In control I/R group, myocardial tissue structure collapse appeared. Compared with control I/R group, left ventricular parameters, SOD activity, the level of Bcl-2/Bax mRNA, ALDH2 mRNA, and protein expressions were decreased and LDH and MDA contents were increased, meanwhile the aggravation of myocardial structure injury in DM I/R group. When DM I/R rats were pretreated with EtOH, left ventricular parameters, SOD, Bcl-2/Bax, and ALDH2 expression were increased; LDH, MDA, and myocardial structure injury were attenuated. Compared with DM + EtOH I/R group, cyanamide (ALDH2 nonspecific blocker), atractyloside (mitoPTP opener), and wortmannin (PI3K inhibitor) groups all decreased left ventricular parameters, SOD, Bcl-2/Bax, and ALDH2 and increased LDH, MDA, and myocardial injury. When cardiomyocyte was under HG condition, CCK-8 activity and ALDH2 protein expression were decreased. Alda-1 increased CCK-8 and ALDH2. Our findings suggested enhanced ALDH2 expression in diabetic I/R rats played the cardioprotective role, maybe through activating PI3K and inhibiting mitoPTP opening. PMID:27829984

Activation of ALDH2 with Low Concentration of Ethanol Attenuates Myocardial Ischemia/Reperfusion Injury in Diabetes Rat Model.

PubMed

Kang, Pin-Fang; Wu, Wen-Juan; Tang, Yang; Xuan, Ling; Guan, Su-Dong; Tang, Bi; Zhang, Heng; Gao, Qin; Wang, Hong-Ju

2016-01-01

The aim of this paper is to observe the change of mitochondrial aldehyde dehydrogenase 2 (ALDH2) when diabetes mellitus (DM) rat heart was subjected to ischemia/reperfusion (I/R) intervention and analyze its underlying mechanisms. DM rat hearts were subjected to 30 min regional ischemia and 120 min reperfusion in vitro and pretreated with ALDH2 activator ethanol (EtOH); cardiomyocyte in high glucose (HG) condition was pretreated with ALDH2 activator Alda-1. In control I/R group, myocardial tissue structure collapse appeared. Compared with control I/R group, left ventricular parameters, SOD activity, the level of Bcl-2/Bax mRNA, ALDH2 mRNA, and protein expressions were decreased and LDH and MDA contents were increased, meanwhile the aggravation of myocardial structure injury in DM I/R group. When DM I/R rats were pretreated with EtOH, left ventricular parameters, SOD, Bcl-2/Bax, and ALDH2 expression were increased; LDH, MDA, and myocardial structure injury were attenuated. Compared with DM + EtOH I/R group, cyanamide (ALDH2 nonspecific blocker), atractyloside (mitoPTP opener), and wortmannin (PI3K inhibitor) groups all decreased left ventricular parameters, SOD, Bcl-2/Bax, and ALDH2 and increased LDH, MDA, and myocardial injury. When cardiomyocyte was under HG condition, CCK-8 activity and ALDH2 protein expression were decreased. Alda-1 increased CCK-8 and ALDH2. Our findings suggested enhanced ALDH2 expression in diabetic I/R rats played the cardioprotective role, maybe through activating PI3K and inhibiting mitoPTP opening.

Deforestation effects on soil quality and water retention curve parameters in eastern Ardabil, Iran

NASA Astrophysics Data System (ADS)

Asghari, Sh.; Ahmadnejad, S.; Keivan Behjou, F.

2016-03-01

The land use change from natural to managed ecosystems causes serious soil degradation. The main objective of this research was to assess deforestation effects on soil physical quality attributes and soil water retention curve (SWRC) parameters in the Fandoghlou region of Ardabil province, Iran. Totally 36 surface and subsurface soil samples were taken and soil water contents measured at 13 suctions. Alfa (α) and n parameters in van Genuchten (1980) model were estimated by fitting SWRC data by using RETC software. The slope of SWRC at inflection point (SP) was calculated by Dexter (2004) equation. The results indicated that with changing land use from forest (F) to range land (R) and cultivated land (C), and also with increasing soil depth from 0-25 to 75-100 cm in each land use, organic carbon, micropores, saturated and available water contents decreased and macropores and bulk density increased significantly ( P < 0.05). The position of SWRC shape in F was higher than R and C lands at all soil depths. Changing F to R and C lands and also increasing soil depth in each land use significantly ( P < 0.05) increased α and decreased n and SP. The average values of SP were obtained 0.093, 0.051 and 0.031 for F, R and C, respectively. As a result, deforestation reduced soil physical quality by affecting SWRC parameters.

Experimental studies on a novel roll-to-roll powder hot embossing for large-area fabrication of micropyramid arrays on polymers

NASA Astrophysics Data System (ADS)

Yi, Peiyun; Deng, Yujun; Shu, Yunyi; Peng, Linfa

2018-08-01

Roll-to-roll (R2R) hot embossing is regarded as a cost-effective replication technology to fabricate microstructures on polymer films. However, the characteristics of continuous and fast forming for the R2R hot embossing process limits material flow during the filling stage and results in significant springback during the demolding stage. To resolve this issue, this study proposed a novel R2R powder hot embossing process, which combines the merits of the continuous fabrication of R2R hot embossing and near-net-shape forming of powder sintering and also decreases the whole cycle of the fabrication from films to microstructures. First, the relation between the molten layer thickness and processing parameters was discussed and an analytical model was established to predict the feed of the polymeric powder during R2R powder hot embossing. Then, with the use of a micro-pyramid array mold, the impact of the process parameters including mold temperature, feeding speed and applied force on the geometrical dimension of the patterned microstructures was discussed. Last, based on the response surface analysis, a process window, in terms of the mold temperature of 132 °C –145 °C, feeding speed of 0.1–1.4 m min‑1 and applied force of 15–50 kgf was determined for the continuous fabrication of completely-filled micropyramid arrays with the R2R powder hot embossing process. This research demonstrated the feasibility and superiority of the proposed R2R powder hot embossing process in continuously fabricating micropatterned structures on polymeric films.

Age-Stage, Two-Sex Life Table Characteristics of Aedes albopictus and Aedes Aegypti in Penang Island, Malaysia.

PubMed

Maimusa, Hamisu A; Ahmad, Abu Hassan; Kassim, Nur Faeza A; Rahim, Junaid

2016-03-01

The life table developmental attributes of laboratory colonies of wild strains of Aedes albopictus and Aedes aegypti were analyzed and compared based on the age-stage, two-sex life table. Findings inclusive in this study are: adult preoviposition periods, total preoviposition period, mean intrinsic rate of increase (r), mean finite rate of increase (λ), net reproductive rates (R0), and mean generation time (T). The total preadult development time was 9.47 days for Ae. albopictus and 8.76 days for Ae. aegypti. The life expectancy was 19.01 days for Ae. albopictus and 19.94 days for Ae. aegypti. Mortality occurred mostly during the adult stage. The mean development time for each stage insignificantly correlated with temperature for Ae. albopictus (r  =  -0.208, P > 0.05) and (r  =  -0.312, P > 0.05) for Ae. aegypti. The population parameters suggest that Ae. albopictus and Ae. aegypti populations are r-strategists characterized by a high r, a large R0, and short T. This present study provides the first report to compare the life parameters of Ae. albopictus and Ae. aegypti strains from Penang island, Malaysia.

Possibility of determining cosmological parameters from measurements of gravitational waves emitted by coalescing, compact binaries

NASA Astrophysics Data System (ADS)

Marković, Dragoljub

1993-11-01

We explore the feasibility of using LIGO and/or VIRGO gravitational-wave measurements of coalescing, neutron-star-neutron-star (NS-NS) binaries and black-hole-neutron-star (BH-NS) binaries at cosmological distances to determine the cosmological parameters of our Universe. From the observed gravitational waveforms one can infer, as direct observables, the luminosity distance D of the source and the binary's two ``redshifted masses,'' M'1≡M1(1+z) and M'2≡M2(1+z), where Mi are the actual masses and z≡Δλ/λ is the binary's cosmological redshift. Assuming that the NS mass spectrum is sharply peaked about 1.4Msolar, as binary pulsar and x-ray source observations suggest, the redshift can be estimated as z=M'NS/1.4Msolar-1. The actual distance-redshift relation D(z) for our Universe is strongly dependent on its cosmological parameters [the Hubble constant H0, or h0≡H0/100 km s-1Mpc-1, the mean mass density ρm, or density parameter Ω0≡(8π/3H20)ρm, and the cosmological constant, Λ, or λ0≡Λ/(3H20)], so by a statistical study of (necessarily noisy) measurements of D and z for a large number of binaries, one can deduce the cosmological parameters. The various noise sources that will plague such a cosmological study are discussed and estimated, and the accuracies of the inferred parameters are determined as functions of the detectors' noise characteristics, the number of binaries observed, and the neutron-star mass spectrum. The dominant source of error is the detectors' intrinsic noise, though stochastic gravitational lensing of the waves by intervening matter might significantly influence the inferred cosmological constant λ0, when the detectors reach ``advanced'' stages of development. The estimated errors of parameters inferred from BH-NS measurements can be described by the following rough analytic fits: Δh0/h0~=0.02(N/h0)(τR)-1/2 (for N/h0<~2), where N is the detector's noise level (strain/Hz) in units of the ``advanced LIGO'' noise level, R is the event rate in units of the best-estimate value, 100 yr-1 Gpc-3, and τ is the observation time in years. In a ``high density'' universe (Ω0=1, λ0=0) ΔΩ0~=0.3(N/h0)2(τR)-1/2, Δλ0~=0.4(N/h0)1.5(τR)-1/2, for N/h0<~1. In a ``low density'' universe (Ω0=0.2, λ0=0), ΔΩ0~=0.5(N/h0)3(τR)-1/2, Δλ0~=0.7(N/h0)2.5(τR)-1/2, also for N/h0<~1. These formulas indicate that, if event rates are those currently estimated (~3 per year out to 200 Mpc), then when the planned LIGO and/or VIRGO detectors get to be about as sensitive as the so-called ``advanced detector level'' (presumably in the early 2000s), interesting cosmological measurements can begin.

Performance evaluation of Abbott CELL-DYN Ruby for routine use.

PubMed

Lehto, T; Hedberg, P

2008-10-01

CELL-DYN Ruby is a new automated hematology analyzer suitable for routine use in small laboratories and as a back-up or emergency analyzer in medium- to high-volume laboratories. The analyzer was evaluated by comparing the results from the CELL-DYN((R)) Ruby with the results obtained from CELL-DYN Sapphire . Precision, linearity, and carryover between patient samples were also assessed. Precision was good at all levels for the routine cell blood count (CBC) parameters, CV% being or= 0.98) with CELL-DYN Sapphire for the CBC parameters. For the absolute reticulocyte count, R(2) was 0.82. In the white blood cell (WBC) differentials, the between-days precision was good for all parameters (CV%: or= 0.97), and the correlation coefficient for absolute monocyte count and monocyte percentage were 0.91 and 0.87, respectively. For absolute basophil count and basophil percentage the correlations were weaker (R(2) = 0.46 and 0.34, respectively). Carryover was minimal for all the parameters studied. The linearities of WBC, red blood cell, PLTs, and hemoglobin were acceptable within the tested ranges. In conclusion, the results of the evaluation showed the performance of CELL-DYN Ruby to be good.

Structural phase transition and multiferroic properties of Bi0.8A0.2Fe0.8Mn0.2O3 (A = Ca, Sr)

NASA Astrophysics Data System (ADS)

Rout, Jyoshna; Choudhary, R. N. P.

2018-05-01

The multiferroic BiFeO3 and Bi0.8A0.2Fe0.8Mn0.2O3 (A = Ca, Sr) have been synthesized using direct mechanosynthesis. Detailed investigations were made on the influence of Ca-Mn and Sr-Mn co-substitutions on the structure change, electric and magnetic properties of the BFO. Rietveld refinement on the XRD pattern of the modified samples clarifies the structural transition from R3c:H (parent BiFeO3) to the biphasic structure (R3c: H + Pnma). Scanning electron micrographs confirmed the polycrystalline nature of the materials and each of the microstructure comprised of uniformly distributed grains with less porosity. The dielectric measurements reveal that enhancement in dielectric properties due to the reduction of oxygen vacancies by substitutional ions. Studies of frequency-dependence of impedance and related parameters exhibit that the electrical properties of the materials are strongly dependent on temperature, and bear a good correlation with its microstructure. The bulk resistance (evaluated from impedance studies) is found to decrease with increasing temperature for all the samples. The alternating current (ac) conductivity spectra show a typical signature of an ionic conducting system, and are found to obey Jonscher's universal power law. Preliminary studies of magnetic characteristics of the samples reveal enhanced magnetization for Ca-Mn co-substituted sample. The magnetoelectric coefficient as the function of applied dc magnetizing field under fixed ac magnetic field 15.368 Oe is measured and this ME coefficient αME corresponds to induction of polarization by a magnetic field.

Table of periodic properties of fullerenes based on structural parameters.

PubMed

Torrens, Francisco

2004-01-01

The periodic table (PT) of the elements suggests that hydrogen could be the origin of everything else. The construction principle is an evolutionary process that is formally similar to those of Darwin and Oparin. The Kekulé structure count and permanence of the adjacency matrix of fullerenes are related to structural parameters involving the presence of contiguous pentagons p, q and r. Let p be the number of edges common to two pentagons, q the number of vertices common to three pentagons, and r the number of pairs of nonadjacent pentagon edges shared between two other pentagons. Principal component analysis (PCA) of the structural parameters and cluster analysis (CA) of the fullerenes permit classifying them and agree. A PT of the fullerenes is built based on the structural parameters, PCA and CA. The periodic law does not have the rank of the laws of physics. (1) The properties of the fullerenes are not repeated; only, and perhaps, their chemical character. (2) The order relationships are repeated, although with exceptions. The proposed statement is the following: The relationships that any fullerene p has with its neighbor p + 1 are approximately repeated for each period.

The Prevalence and Implication of Zinc Deficiency in Patients With Chronic Liver Disease.

PubMed

Katayama, Kazuhiro; Kawaguchi, Takumi; Shiraishi, Koichi; Ito, Toshifumi; Suzuki, Kazutomo; Koreeda, Chizu; Ohtake, Takaaki; Iwasa, Motoh; Tokumoto, Yoshio; Endo, Ryujin; Kawamura, Naohiro; Shiraki, Makoto; Hanai, Tatsunori; Habu, Daiki; Tsuruta, Satoru; Sakai, Hironori; Miwa, Yoshiyuki; Kawada, Norifumi; Kato, Akinobu; Takei, Yoshiyuki; Mine, Tetsuya; Kohgo, Yutaka; Seki, Toshihito; Sata, Michio; Ito, Yuri; Fukui, Keisuke; Nishiguchi, Shuhei; Moriwaki, Hisataka; Suzuki, Kazuyuki

2018-05-01

Patients with liver cirrhosis often exhibit zinc deficiency. Although zinc is involved in many bioactivities, many aspects of clinical implications of zinc deficiency in liver cirrhosis remain unclear. We aimed to reveal the prevalence and implications of zinc deficiency in liver cirrhosis by assessing associations with parameters such as clinical symptoms and laboratory data. In 235 cirrhosis patients enrolled at multiple medical institutions in 2009, we assessed how blood zinc levels were associated with their clinical symptoms, patients characteristics, and liver function test results. Blood zinc levels were most strongly correlated with blood albumin levels among the study parameters (r = 0.587, P < 0.0001). When blood albumin levels were ≤ 3.5 g/dL, blood zinc levels were < 70 μg/dL in 88% of patients. Additionally, significant correlations were observed with age (r = -0.253, P = 0.0014), aspartate aminotransferase levels (r = -0.254, P = 0.0020), total bilirubin levels (r = -0.222, P = 0.0053), prothrombin time (r = -0.255, P = 0.0029), branched-chain amino acid to tyrosine ratio (r = 0.357, P < 0.0001), Child-Pugh score (r = 0.469, P < 0.0001), ammonia levels (r = -0.246, P = 0.0028), and total cholesterol levels (r = 0.314, P < 0.0001). Blood zinc levels were significantly lower in patients with edema/ascites (P < 0.0001), those with hepatic encephalopathy (P = 0.0215), those receiving oral diuretics (P = 0.0045), and those receiving oral branched-chain amino acids (P < 0.0001) than in those without these conditions. Zinc deficiency is prevalent in cirrhosis patients, whereas nitrogen metabolic disorders, particularly hypoalbuminemia, can be an indicator of zinc deficiency. Thus, cirrhosis patients exhibiting a nitrogen metabolic disorder should be examined for the presence of zinc deficiency.

Cosmological backreaction within the Szekeres model and emergence of spatial curvature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bolejko, Krzysztof, E-mail: krzysztof.bolejko@sydney.edu.au

This paper discusses the phenomenon of backreaction within the Szekeres model. Cosmological backreaction describes how the mean global evolution of the Universe deviates from the Friedmannian evolution. The analysis is based on models of a single cosmological environment and the global ensemble of the Szekeres models (of the Swiss-Cheese-type and Styrofoam-type). The obtained results show that non-linear growth of cosmic structures is associated with the growth of the spatial curvature Ω{sub R} (in the FLRW limit Ω{sub R} → Ω {sub k} ). If averaged over global scales the result depends on the assumed global model of the Universe. Withinmore » the Swiss-Cheese model, which does have a fixed background, the volume average follows the evolution of the background, and the global spatial curvature averages out to zero (the background model is the ΛCDM model, which is spatially flat). In the Styrofoam-type model, which does not have a fixed background, the mean evolution deviates from the spatially flat ΛCDM model, and the mean spatial curvature evolves from Ω{sub R} =0 at the CMB to Ω{sub R} ∼ 0.1 at 0 z =. If the Styrofoam-type model correctly captures evolutionary features of the real Universe then one should expect that in our Universe, the spatial curvature should build up (local growth of cosmic structures) and its mean global average should deviate from zero (backreaction). As a result, this paper predicts that the low-redshift Universe should not be spatially flat (i.e. Ω {sub k} ≠ 0, even if in the early Universe Ω {sub k} = 0) and therefore when analysing low- z cosmological data one should keep Ω {sub k} as a free parameter and independent from the CMB constraints.« less

Cosmological backreaction within the Szekeres model and emergence of spatial curvature

NASA Astrophysics Data System (ADS)

Bolejko, Krzysztof

2017-06-01

This paper discusses the phenomenon of backreaction within the Szekeres model. Cosmological backreaction describes how the mean global evolution of the Universe deviates from the Friedmannian evolution. The analysis is based on models of a single cosmological environment and the global ensemble of the Szekeres models (of the Swiss-Cheese-type and Styrofoam-type). The obtained results show that non-linear growth of cosmic structures is associated with the growth of the spatial curvature ΩScript R (in the FLRW limit ΩScript R → Ωk). If averaged over global scales the result depends on the assumed global model of the Universe. Within the Swiss-Cheese model, which does have a fixed background, the volume average follows the evolution of the background, and the global spatial curvature averages out to zero (the background model is the ΛCDM model, which is spatially flat). In the Styrofoam-type model, which does not have a fixed background, the mean evolution deviates from the spatially flat ΛCDM model, and the mean spatial curvature evolves from ΩScript R =0 at the CMB to ΩScript R ~ 0.1 at 0z =. If the Styrofoam-type model correctly captures evolutionary features of the real Universe then one should expect that in our Universe, the spatial curvature should build up (local growth of cosmic structures) and its mean global average should deviate from zero (backreaction). As a result, this paper predicts that the low-redshift Universe should not be spatially flat (i.e. Ωk ≠ 0, even if in the early Universe Ωk = 0) and therefore when analysing low-z cosmological data one should keep Ωk as a free parameter and independent from the CMB constraints.

The Structure and Dark Halo Core Properties of Dwarf Spheroidal Galaxies

NASA Astrophysics Data System (ADS)

Burkert, A.

2015-08-01

The structure and dark matter halo core properties of dwarf spheroidal galaxies (dSphs) are investigated. A double-isothermal (DIS) model of an isothermal, non-self-gravitating stellar system embedded in an isothermal dark halo core provides an excellent fit to the various observed stellar surface density distributions. The stellar core scale length a* is sensitive to the central dark matter density ρ0,d. The maximum stellar radius traces the dark halo core radius {r}c,d. The concentration c* of the stellar system, determined by a King profile fit, depends on the ratio of the stellar-to-dark-matter velocity dispersion {σ }*/{σ }d. Simple empirical relationships are derived that allow us to calculate the dark halo core parameters ρ0,d, {r}c,d, and σd given the observable stellar quantities σ*, a*, and c*. The DIS model is applied to the Milky Way’s dSphs. All dSphs closely follow the same universal dark halo scaling relations {ρ }0,d× {r}c,d={75}-45+85 M⊙ pc-2 that characterize the cores of more massive galaxies over a large range in masses. The dark halo core mass is a strong function of core radius, {M}c,d˜ {r}c,d2. Inside a fixed radius of ˜400 pc the total dark matter mass is, however, roughly constant with {M}d=2.6+/- 1.4× {10}7 M⊙, although outliers are expected. The dark halo core densities of the Galaxy’s dSphs are very high, with {ρ }0,d ≈ 0.2 M⊙ pc-3. dSphs should therefore be tidally undisturbed. Evidence for tidal effects might then provide a serious challenge for the CDM scenario.

Structure of rare-earth chalcogenide glasses by neutron and x-ray diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Drewitt, James W. E.; Salmon, Philip S.; Zeidler, Anita

The method of neutron diffraction with isomorphic substitution was used to measure the structure of the rare-earth chalcogenide glasses (R 2X 3) 0.07(Ga 2X 3) 0.33(GeX 2) 0.60 with R = La or Ce and X = S or Se. X-ray diffraction was also used to measure the structure of the sulphide glass. The results are consistent with networks that are built from GeX 4 and GaX 4 tetrahedra, and give R-S and R-Se coordination numbers of 8.0(2) and 8.5(4), respectively. The minimum nearest-neighbour R-R distance associated with rare-earth clustering is discussed.

Structure of rare-earth chalcogenide glasses by neutron and x-ray diffraction

DOE PAGES

Drewitt, James W. E.; Salmon, Philip S.; Zeidler, Anita; ...

2017-04-28

The method of neutron diffraction with isomorphic substitution was used to measure the structure of the rare-earth chalcogenide glasses (R 2X 3) 0.07(Ga 2X 3) 0.33(GeX 2) 0.60 with R = La or Ce and X = S or Se. X-ray diffraction was also used to measure the structure of the sulphide glass. The results are consistent with networks that are built from GeX 4 and GaX 4 tetrahedra, and give R-S and R-Se coordination numbers of 8.0(2) and 8.5(4), respectively. The minimum nearest-neighbour R-R distance associated with rare-earth clustering is discussed.

Synthesis, crystal structure, and electrical and magnetic properties of BaMo{sub 6}Te{sub 6}: A novel reduced molybdenum telluride containing infinite chains of trans-face shared Mo{sub 6} octahedra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gall, Philippe; Guizouarn, Thierry; Potel, Michel

Powder samples and single crystals of the new ternary compound BaMo{sub 6}Te{sub 6} were obtained by solid state reaction. The structure was determined by single-crystal X-ray diffraction. BaMo{sub 6}Te{sub 6} crystallizes in the hexagonal space group P6{sub 3}/m (No. 176) with unit-cell parameters a=9.3941(2) Å, c=4.5848(1) Å and Z=1. Full-matrix least-squares refinement on F{sup 2} using 452 independent reflections for 17 refinable parameters resulted in R1=0.0208 and wR2=0.0539. The structure consists of one-dimensional infinite chains of trans-face shared Mo{sub 6} octahedra capped by Se atoms. These chains that are running along the c axis are separated from each other bymore » nine-coordinate Ba atoms. Resistivity measurements on a single crystal indicated that the BaMo{sub 6}Te{sub 6} compound is metallic down to 160 K and semiconductor below. Magnetic susceptibility measurements showed that BaMo{sub 6}Te{sub 6} is weakly diamagnetic with no anomaly at the metal–semiconductor transition. - Graphical abstract: We present here the synthesis, the crystal structure, and the electrical and magnetic properties of the new compound BaMo{sub 6}Te{sub 6} containing infinite chains of trans-face shared Mo{sub 6} octahedra. - Highlights: • BaMo{sub 6}Te{sub 6} contains infinite chains of trans-face-sharing Mo{sub 6} octahedra |Mo{sub 6/2}|{sub ∞}{sup 1}. • Synthesis by solid state reaction. • Single-crystal X-ray study. • Continuous metal–nonmetal transition. • Anderson localization.« less

Sr{sub 7}Ge{sub 6}, Ba{sub 7}Ge{sub 6} and Ba{sub 3}Sn{sub 2} -Three new binary compounds containing dumbbells and four-membered chains of tetrel atoms with considerable Ge-Ge {pi}-bonding character

DOE Office of Scientific and Technical Information (OSTI.GOV)

Siggelkow, Lisa; Hlukhyy, Viktor; Faessler, Thomas F., E-mail: thomas.faessler@lrz.tum.de

2012-07-15

The germanides Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} as well as the stannide Ba{sub 3}Sn{sub 2} were prepared by arc melting and annealing in welded tantalum ampoules using induction as well as resistance furnaces. The compounds were investigated by powder and single crystal X-ray diffraction. Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} crystallize in the Ca{sub 7}Sn{sub 6} structure type (space group Pmna, Z=4: a=7.777(2) A, b=23.595(4) A, c=8.563(2) A, wR{sub 2}=0.081 (all data), 2175 independent reflections, 64 variable parameters for Sr{sub 7}Ge{sub 6} and a=8.0853(6) A, b=24.545(2) A, c=8.9782(8) A, wR{sub 2}=0.085 (all data), 2307 independent reflections, 64more » variable parameters for Ba{sub 7}Ge{sub 6}). Ba{sub 3}Sn{sub 2} crystallizes in an own structure type with the space group P4{sub 3}2{sub 1}2, Z=4, a=6.6854(2) A, c=17.842(2) A, wR{sub 2}=0.037 (all data), 1163 independent reflections, 25 variable parameters. In Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} the Ge atoms are arranged as Ge{sub 2} dumbbells and Ge{sub 4} four-membered atom chains. Their crystal structures cannot be rationalized according to the (8-N) rule. In contrast, Ba{sub 3}Sn{sub 2} presents Sn{sub 2} dumbbells as a main structural motif and thereby can be described as an electron precise Zintl phase. The chemical bonding situation in these structures is discussed on the basis of partial and total Density Of States (DOS) curves, band structures including fatbands, topological analysis of the Electron Localization Function (ELF) as well as Bader analysis of the bond critical points using the programs TB-LMTO-ASA and WIEN2K. While Ba{sub 3}Sn{sub 2} reveals semiconducting behaviour, all germanides Ae{sub 7}Ge{sub 6} (Ae=Ca, Sr, and Ba) show metallic properties and a considerable {pi}-bonding character between the Ge atoms of the four-membered chains and the dumbbells. The {pi}-bonding character of the germanides is best reflected by the resonance hybrid structures {l_brace}[Ge-Ge]{sup 6-}/[Ge-{sup ....}Ge-{sup ....}Ge-{sup ....}Ge]{sup 8-}{r_brace}{r_reversible}{l_brace}[Ge=Ge]{sup 4-}/[Ge-Ge-Ge-Ge]{sup 10-}{r_brace}. - Graphical abstract: The structure of Ba{sub 3}Sn{sub 2} contains Sn{sub 2} dumbbells as a main structural motif and thereby can be described as an electron precise Zintl phase. Ge{sub 2} dumbbells and Ge{sub 4} four-membered atom chains are the predominant features in Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6}. Their crystal structures cannot be rationalized according to the (8-N) rule. While Ba{sub 3}Sn{sub 2} reveals semiconducting behaviour, the germanides Ae{sub 7}Ge{sub 6} (Ae=Ca, Sr, and Ba) show metallic properties and a considerable {pi}-bonding character between the Ge atoms of the four-membered chains and the dumbbells. Highlights: Black-Right-Pointing-Pointer The germanides Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} as well as the stannide Ba{sub 3}Sn{sub 2} have been synthesized. Black-Right-Pointing-Pointer In Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} the Ge atoms are arranged as dumbbells and four-membered atom chains. Black-Right-Pointing-Pointer Ba{sub 3}Sn{sub 2} presents Sn{sub 2} dumbbells as a main structural motif. Black-Right-Pointing-Pointer The chemical bonding situation within these structures is discussed.« less

Cylinder and metal grating polarization beam splitter

NASA Astrophysics Data System (ADS)

Yang, Junbo; Xu, Suzhi

2017-08-01

We propose a novel and compact metal grating polarization beam splitter (PBS) based on its different reflected and transmitted orders. The metal grating exhibits a broadband high reflectivity and polarization dependence. The rigorous coupled wave analysis is used to calculate the reflectivity and the transmitting spectra and optimize the structure parameters to realize the broadband PBS. The finite-element method is used to calculate the field distribution. The characteristics of the broadband high reflectivity, transmitting and the polarization dependence are investigated including wavelength, period, refractive index and the radius of circle grating. When grating period d = 400 nm, incident wavelength λ = 441 nm, incident angle θ = 60° and radius of circle d/5, then the zeroth reflection order R0 = 0.35 and the transmission zeroth order T0 = 0.08 for TE polarization, however, T0 = 0.34 and R0 = 0.01 for TM mode. The simple fabrication method involves only single etch step and good compatibility with complementary metal oxide semiconductor technology. PBS designed here is particularly suited for optical communication and optical information processing.

Search for anomalous couplings in the W tb vertex from the measurement of double differential angular decay rates of single top quarks produced in the t-channel with the ATLAS detector

DOE PAGES

Aad, G.; Abbott, B.; Abdallah, J.; ...

2016-04-05

The electroweak production and subsequent decay of single top quarks is determined by the properties of the Wtb vertex. This vertex can be described by the complex parameters of an effective Lagrangian. An analysis of angular distributions of the decay products of single top quarks produced in the t -channel constrains these parameters simultaneously. The analysis described in this paper uses 4.6 fb -1 of proton-proton collision data at √s=7 TeV collected with the ATLAS detector at the LHC. Two parameters are measured simultaneously in this analysis. The fraction f 1 of decays containing transversely polarised W bosons is measuredmore » to be 0.37 ± 0.07 (stat.⊕syst.). The phase δ - between amplitudes for transversely and longitudinally polarised W bosons recoiling against left-handed b-quarks is measured to be -0.014π ± 0.036π (stat.⊕syst.). The correlation in the measurement of these parameters is 0.15. These values result in two-dimensional limits at the 95% confidence level on the ratio of the complex coupling parameters g R and V L, yielding Re[g R /V L] ϵ [-0.36, 0.10] and Im[g R /V L] ϵ [-0.17, 0.23] with a correlation of 0.11. We find the results are in good agreement with the predictions of the Standard Model.« less

High Tensile Strength of Engineered β-Solenoid Fibrils via Sonication and Pulling.

PubMed

Peng, Zeyu; Parker, Amanda S; Peralta, Maria D R; Ravikumar, Krishnakumar M; Cox, Daniel L; Toney, Michael D

2017-11-07

We present estimates of ultimate tensile strength (UTS) for two engineered β-solenoid protein mutant fibril structures (spruce budworm and Rhagium inquisitor antifreeze proteins) derived from sonication-based measurements and from force pulling molecular dynamics simulations, both in water. Sonication experiments generate limiting scissioned fibrils with a well-defined length-to-width correlation for the mutant spruce budworm protein and the resultant UTS estimate is 0.66 ± 0.08 GPa. For fibrils formed from engineered R. inquisitor antifreeze protein, depending upon geometry, we estimate UTSs of 3.5 ± 3.2-5.5 ± 5.1 GPa for proteins with interfacial disulfide bonds, and 1.6 ± 1.5-2.5 ± 2.3 GPa for the reduced form. The large error bars for the R. inquisitor structures are intrinsic to the broad distribution of limiting scission lengths. Simulations provide pulling velocity-dependent UTSs increasing from 0.2 to 1 GPa in the available speed range, and 1.5 GPa extrapolated to the speeds expected in the sonication experiments. Simulations yield low-velocity values for the Young's modulus of 6.0 GPa. Without protein optimization, these mechanical parameters are similar to those of spider silk and Kevlar, but in contrast to spider silk, these proteins have a precisely known sequence-structure relationship. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

The synthesis and structure of a chiral 1D aluminophosphate chain compound: d-Co(en){sub 3}[AlP{sub 2}O{sub 8}].6.5H{sub 2}O

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen Peng; Li Jiyang; Yu Jihong

2005-06-15

A new chiral one-dimensional (1D) aluminophosphate chain compound [d-Co(en){sub 3}][AlP{sub 2}O{sub 8}].6.5H{sub 2}O (designated AlPO-CJ22) has been hydrothermally synthesized by using the optically pure d-Co(en){sub 3}I{sub 3} complex as the template. Single-crystal structural analysis reveals that its structure is built up from alternating connection of AlO{sub 4} and PO{sub 2}(=O{sub 2}) tetrahedra to form corner-shared Al{sub 2}P{sub 2} four-membered ring (4-MR) chains. The d-Co(en){sub 3}{sup 3+} complex cations extended along the 2{sub 1} screw axis interact with the inorganic chains through hydrogen-bonds of N...O atoms in a helical fashion. Optical rotation measurement shows that AlPO-CJ22 is chiral as with d-Co(en){submore » 3}{sup 3+} complex cations. Crystal data: orthorhombic, I2{sub 1}2{sub 1}2{sub 1}, a=8.5573(8)A, b=22.613(2)A, c=22.605(2)A, Z=8, R{sub 1}=0.067, wR{sub 2}=0.1291, and Flack parameter: -0.02(3). CCDC number: 254179. -0.02(3). CCDC number: 254179.« less

Changes in buccal micronucleus cytome parameters associated with smokeless tobacco and pesticide exposure among female tea garden workers of Assam, India.

PubMed

Kausar, Afifa; Giri, Sarbani; Roy, Prasenjit; Giri, Anirudha

2014-03-01

Assam is the highest tea producing state in India. A large number of workers are engaged in various units of tea industry. There are few reports on the health status of the tea garden workers. The present cytogenetic biomonitoring study was undertaken to investigate the genotoxic effect associated with workers in tea industries in southern Assam. Smokeless tobacco chewing along with betel nut is very common practice among the workers. Workers also get exposed periodically to mixture of pesticides. Employing buccal micronucleus cytome assay, exfoliated buccal cells were analyzed in 90 female tea garden and compared to 90 age and sex matched non-chewer control as well as 70 chewers who are not tea garden workers. Statistically significant (p<0.001) increase in genotoxic and cell death parameters was observed in tea garden workers compared to both the control groups. The frequency of cell proliferation biomarkers was highest in the chewer controls whereas genotoxic and cell death parameters were highest in tea garden workers. Linear correlation analysis revealed strong positive correlation between the duration of occupation and the frequency of micronucleus (r=0.597; p<0.001) as well as cell death parameters (r=0.588; p<0.001). Amount of chewing also had significant positive correlation with micronucleus frequency (r=0.243 or 5.9%; p<0.05) and cell death parameters (r=0.217; p<0.05). A statistically significant decrease in total RBC count, haemoglobin content as well as acetylcholine esterase in the blood of exposed individuals was observed. The average BMI among the tea garden workers was relatively lower compared to the control group. Pesticide exposure and chewing areca nut along with smokeless tobacco use may be responsible for changes in cytome parameters in exfoliated buccal cells. Copyright © 2013 Elsevier GmbH. All rights reserved.

An Inverse Square Law Variation for Hubble's Constant

NASA Astrophysics Data System (ADS)

Day, Orville W., Jr.

1999-11-01

The solution to Einstein's gravitational field equations is examined, using a Robertson-Walker metric with positive curvature, when Hubble's parameter, H_0, is taken to be a constant divided by R^2. R is the cosmic scale factor for the universe treated as a three-dimensional hypersphere in a four-dimensional Euclidean space. This solution produces a self-energy of the universe, W^(0)_self, proportional to the square of the total mass, times the universal gravitational constant divided by the cosmic scale factor, R. This result is totally analogous to the self-energy of the electromagnetic field of a charged particle, W^(0)_self = ke^2/2r, where the total charge e is squared, k is the universal electric constant and r is the scale factor, usually identified as the radius of the particle. It is shown that this choice for H0 leads to physically meaningful results for the average mass density and pressure, and a deacceleration parameter q_0=1.

Correlation between retinal sensitivity and cystoid space characteristics in diabetic macular edema.

PubMed

Velaga, Swetha B; Nittala, Muneeswar G; Parinitha, B; Sadda, S R; Chhablani, Jay Kumar

2016-06-01

To evaluate the correlation between retinal sensitivity and cystoid space characteristics in eyes with diabetic macular edema (DME). Prospective cross-sectional study of 22 subjects with DME (32 treatment-naïve eyes). All study subjects underwent complete ophthalmic examination, including slit-lamp biomicroscopy and dilated fundus examination. All subjects underwent spectral domain optical coherence tomography (SD-OCT) and microperimetry (MP). Intraretinal cystoid space (ICS) volume was generated after manual delineation of cystoid space boundaries using the three-dimensional-OCT software. Various SD-OCT parameters, including retinal thickness, retinal volume, cystoid space volume, cystoid space intensity, and outer retinal structure integrity, were correlated with MP parameters and best-corrected visual acuity (BCVA). Subject's mean age was 57 ± 9 years. The mean logarithm of minimum angle of resolution BCVA was 0.4 ± 0.2. The intraclass correlation coefficient for inter- and intra-grader assessment of cystoid space volume by manual delineation was 0.99 and 0.99, respectively. Mean total ICS volume was 0.4 ± 0.4 mm 3 and for the foveal center, subfield was 0.1 ± 0.1 mm 3 . Mean retinal sensitivity was 12.89 ± 10 dB; however, foveal retinal sensitivity was 12.3 ± 11.1 dB. We found no significant correlation between BCVA and total cystoid space volume (r = 0.33, P = 0.06). Correlation between total retinal sensitivity and total ICS was negative and nonsignificant (r = -0.17, P = 0.36). Correlation between foveal retinal sensitivity and foveal cystoid space intensity was moderate and marginally significant (r = -0.43, P = 0.05). Total cystoid space volume was not significantly correlated with BCVA or total retinal sensitivity in subjects with DME. Foveal cystoid space optical intensity was negatively correlated with foveal retinal sensitivity. These findings suggest further investigation of cystoid space characteristics in the setting of DME may be of value.

Tuning anisotropy barriers in a family of tetrairon(III) single-molecule magnets with an S = 5 ground state.

PubMed

Accorsi, Stefania; Barra, Anne-Laure; Caneschi, Andrea; Chastanet, Guillaume; Cornia, Andrea; Fabretti, Antonio C; Gatteschi, Dante; Mortalo, Cecilia; Olivieri, Emiliano; Parenti, Francesca; Rosa, Patrick; Sessoli, Roberta; Sorace, Lorenzo; Wernsdorfer, Wolfgang; Zobbi, Laura

2006-04-12

Tetrairon(III) Single-Molecule Magnets (SMMs) with a propeller-like structure exhibit tuneable magnetic anisotropy barriers in both height and shape. The clusters [Fe4(L1)2(dpm)6] (1), [Fe4(L2)2(dpm)6] (2), [Fe4(L3)2(dpm)6].Et2O (3.Et2O), and [Fe4(OEt)3(L4)(dpm)6] (4) have been prepared by reaction of [Fe4(OMe)6(dpm)6] (5) with tripodal ligands R-C(CH2OH)3 (H3L1, R = Me; H3L2, R = CH2Br; H3L3, R = Ph; H3L4, R = tBu; Hdpm = dipivaloylmethane). The iron(III) ions exhibit a centered-triangular topology and are linked by six alkoxo bridges, which propagate antiferromagnetic interactions resulting in an S = 5 ground spin state. Single crystals of 4 reproducibly contain at least two geometric isomers. From high-frequency EPR studies, the axial zero-field splitting parameter (D) is invariably negative, as found in 5 (D = -0.21 cm(-1)) and amounts to -0.445 cm(-1) in 1, -0.432 cm(-1) in 2, -0.42 cm(-1) in 3.Et2O, and -0.27 cm(-1) in 4 (dominant isomer). The anisotropy barrier Ueff determined by AC magnetic susceptibility measurements is Ueff/kB = 17.0 K in 1, 16.6 K in 2, 15.6 K in 3.Et2O, 5.95 K in 4, and 3.5 K in 5. Both |D| and U(eff) are found to increase with increasing helical pitch of the Fe(O2Fe)3 core. The fourth-order longitudinal anisotropy parameter B4(0), which affects the shape of the anisotropy barrier, concomitantly changes from positive in 1 ("compressed parabola") to negative in 5 ("stretched parabola"). With the aid of spin Hamiltonian calculations the observed trends have been attributed to fine modulation of single-ion anisotropies induced by a change of helical pitch.

High-level ab initio calculations on HGeCl and the equilibrium geometry of the A1A'' state derived from Franck-Condon analysis of the single-vibronic-level emission spectra of HGeCl and DGeCl.

PubMed

Mok, Daniel K W; Chau, Foo-Tim; Lee, Edmond P F; Dyke, John M

2010-02-01

CCSD(T) and/or CASSCF/MRCI calculations have been carried out on the X(1)A' and A(1)A'' states of HGeCl. The fully relativistic effective core potential, ECP10MDF, and associated standard valence basis sets of up to the aug-cc-pV5Z quality were employed for Ge. Contributions from core correlation and extrapolation to the complete basis set limit were included in determining the computed equilibrium geometrical parameters and relative electronic energy of these two states of HGeCl. Based on the currently, most systematic CCSD(T) calculations performed in this study, the best theoretical geometrical parameters of the X(1)A' state are r(e)(HGe) = 1.580 +/- 0.001 A, theta(e) = 93.88 +/- 0.01 degrees and r(e)(GeCl) = 2.170 +/- 0.001 A. In addition, Franck-Condon factors including allowance for anharmonicity and Duschinsky rotation between these two states of HGeCl and DGeCl were calculated employing CCSD(T) and CASSCF/MRCI potential energy functions, and were used to simulate A(1)A'' --> X(1)A' SVL emission spectra of HGeCl and DGeCl. The iterative Franck-Condon analysis (IFCA) procedure was carried out to determine the equilibrium geometrical parameters of the A(1)A'' state of HGeCl by matching the simulated, and available experimental SVL emission spectra of HGeCl and DGeCl of Tackett et al., J Chem Phys 2006, 124, 124320, using the available, estimated experimental equilibrium (r(e)(z)) structure for the X(1)A' state, while varying the equilibrium geometrical parameters of the A(1)A'' state systematically. Employing the derived IFCA geometry of r(e)(HGe) = 1.590 A, r(e)(GeCl) = 2.155 A and theta(e)(HGeCl) = 112.7 degrees for the A(1)A'' state of HGeCl in the spectral simulation, the simulated absorption and SVL emission spectra of HGeCl and DGeCl agree very well with the available experimental LIF and SVL emission spectra, respectively. Copyright 2009 Wiley Periodicals, Inc.

Chemical and Physical Predictors of the Nutritive Value of Wheat in Broiler Diets

PubMed Central

Ball, M. E. E.; Owens, B.; McCracken, K. J.

2013-01-01

The aim of this study was to establish relationships between chemical and physical parameters of wheat with performance and digestibilities of feed components in broiler chickens fed on wheat-based diets. Ninety-four wheat samples were selected for inclusion in four bird trials. Birds were housed in individual wire metabolism cages from 7 to 28 d and offered water and feed ad libitum. Dry matter intake (DMI), liveweight gain (LWG) and gain:feed were measured weekly. A balance collection was carried out from 14 to 21 d for determination of apparent metabolizable energy (AME), ME:gain, dry matter retention, oil and neutral detergent fibre (NDF) digestibility. At 28 d the birds were humanely killed, the contents of the jejunum removed for determination of in vivo viscosity and the contents of the ileum removed for determination of ileal dry matter, starch and protein digestibility. When wheat parameters were correlated with bird performance data, it was found that specific weight was not significantly (p>0.05) related to bird performance. Bird DMI, LWG and gain:feed were best correlated (p<0.05) with the rate of starch digestion, although the coefficients of correlation (r) were still low (0.246 to 0.523). A negative relationship (p<0.01) between AME and total (r = −0.432) and soluble (r = −0.304) non starch polysaccharide (NSP) was observed in this study. Thousand grain weight (TG) was positively correlated with DMI (r = 0.299), LWG (r = 0.343) and gain:feed (r = 0.371). When establishing multiple regression relationships, correlation coefficients greater than 0.8 were achieved for DMI, LWG, gain:feed and ileal crude protein digestibility. However, the economics involved in determining the parameters involved in the regressions make the process impractical. PMID:25049711

Effect of fed- versus fasted state resistance training during Ramadan on body composition and selected metabolic parameters in bodybuilders

PubMed Central

2013-01-01

Background Muslim bodybuilders often continue training during Ramadan. However, the effect of resistance training in a fasted versus a fed state during Ramadan on body composition and metabolic parameters in bodybuilders is not well known. The aim of this study was to evaluate the effects of resistance training in a fasted versus a fed state during Ramadan on body composition and metabolic parameters in bodybuilders. Methods Sixteen men were allocated to two groups: Eight practicing resistance training in the late afternoon in a fasted state (FAST), and eight training in the late evening in an acutely fed state (FED) during Ramadan. All visited the laboratory in the morning two days before the start of Ramadan (Bef-R) and on the 29th day of Ramadan (End-R) for anthropometric measurement, completion of a dietary questionnaire, and provision of fasting blood and urine samples. Results Body mass and body fat percentage remained unchanged in FAST and FED during the whole period of the investigation. Both FAST and FED experienced an increase in the following parameters from Bef-R to End-R: urine specific gravity (1%; p = 0.028, p = 0.004 respectively), serum concentrations of urea (4%, p = 0.006; 7%, p = 0.004 respectively), creatinine (5%, p = 0.015; 6%, p = 0.04 respectively), uric acid (17%; p < 0.001, p = 0.04 respectively), sodium (1%; p = 0.029, p = 0.019 respectively), chloride (2%; p = 0.039, p = 0.004 respectively), and high-density lipoprotein cholesterol (11%, p = 0.04; 10%, p = 0.04 respectively). Conclusion Hypertrophic training in a fasted or in a fed state during Ramadan does not affect body mass and body composition of bodybuilders. Additionally, Ramadan fasting induced changes in urinary and some biochemical parameters, but these changes were not different according to when the training occurred. PMID:23617897

A cluster pattern algorithm for the analysis of multiparametric cell assays.

PubMed

Kaufman, Menachem; Bloch, David; Zurgil, Naomi; Shafran, Yana; Deutsch, Mordechai

2005-09-01

The issue of multiparametric analysis of complex single cell assays of both static and flow cytometry (SC and FC, respectively) has become common in recent years. In such assays, the analysis of changes, applying common statistical parameters and tests, often fails to detect significant differences between the investigated samples. The cluster pattern similarity (CPS) measure between two sets of gated clusters is based on computing the difference between their density distribution functions' set points. The CPS was applied for the discrimination between two observations in a four-dimensional parameter space. The similarity coefficient (r) ranges between 0 (perfect similarity) to 1 (dissimilar). Three CPS validation tests were carried out: on the same stock samples of fluorescent beads, yielding very low r's (0, 0.066); and on two cell models: mitogenic stimulation of peripheral blood mononuclear cells (PBMC), and apoptosis induction in Jurkat T cell line by H2O2. In both latter cases, r indicated similarity (r < 0.23) within the same group, and dissimilarity (r > 0.48) otherwise. This classification and algorithm approach offers a measure of similarity between samples. It relies on the multidimensional pattern of the sample parameters. The algorithm compensates for environmental drifts in this apparatus and assay; it also may be applied to more than four dimensions.

Dynamic Response of Multiphase Porous Media

DTIC Science & Technology

1993-06-16

34"--OIct 5oct, tf1 2fOct, a f s,t,R Linearly Set Parameters Interpolate s = 1.03 from Model Fit s,t,R t = R = 0.0 Parameters Figure 3.3 Extrapolation...nitrogen. To expedite the testing, the system was equipped with solenoid operated valves so that the tests could be conducted by a single operator...incident bar. Figure 6.6 shows the incident bar entering the pressure vessel that contains the test specimen. The hose and valves are for filling and 6-5 I

Representation, Modeling and Recognition of Outdoor Scenes

DTIC Science & Technology

1993-11-01

and R . Malladi . Deformable mod-cisco, California, 1982. els: Canonical parameters for surface represen- tation and multiple view integration. In CVPR...24867- r , . Alexandria, Virginia 22315-3864 IIlhIllll Destroy this report when no longr needed. Do not return it to the originator. The findings in...I -! Example Mi I (0.3)(.510U020 O , Reconstruction R Poin ( -0.05) (0.80 -0.05) (0.99 0.38) (0.86 0.81) (0.4081) (..18 0.19) (0-45 0.19) Lion 011

Energetics, Ion and Water Binding of the Unfolding of AA/UU Base Pair Stacks and UAU/UAU Base Triplet Stacks in RNA.

PubMed

Carr, Carolyn E; Khutsishvili, Irine; Marky, Luis A

2018-06-22

Triplex formation occurs via interaction of a third strand with the major groove of double stranded nucleic acid, through Hoogsteen hydrogen bonding. In this work, we use a combination of temperature-dependent UV spectroscopy and differential scanning calorimetry to determine complete thermodynamic profiles for the unfolding of poly(rA)•poly(rU) (Duplex) and poly(rA)•2poly(rU) (Triplex). Our thermodynamic results are in good agreement with the much earlier work of Krakauer and Sturtevant using only UV melting techniques. The folding of these two helices yielded an uptake of ions, ΔnNa+ = 0.15 mol Na+/mol base-pair (Duplex) and 0.30 mol Na+/mole base-triplet (Triplex), which are consistent with their polymer behavior and the higher charge density parameter of triple helices. The osmotic stress technique yielded a release of structural water, ΔnW = 2 mol H2O/mol base-pair (Duplex unfolding into single strands) and an uptake of structural water, ΔnW = 2 mol H2O/mole base-pair (Triplex unfolding into Duplex and a single strand). However, an overall release of electrostricted waters is obtained for the unfolding of both complexes from pressure perturbation calorimetric experiments. In total, the ΔV values obtained for the unfolding of Triplex into Duplex and a single strand correspond to an immobilization of two structural waters and a release of three electrostricted waters. The ΔV values obtained for the unfolding of Duplex into two single strands correspond to the release of two structural waters and the immobilization of four electrostricted water molecules.

Namib Desert edaphic bacterial, fungal and archaeal communities assemble through deterministic processes but are influenced by different abiotic parameters.

PubMed

Johnson, Riegardt M; Ramond, Jean-Baptiste; Gunnigle, Eoin; Seely, Mary; Cowan, Don A

2017-03-01

The central Namib Desert is hyperarid, where limited plant growth ensures that biogeochemical processes are largely driven by microbial populations. Recent research has shown that niche partitioning is critically involved in the assembly of Namib Desert edaphic communities. However, these studies have mainly focussed on the Domain Bacteria. Using microbial community fingerprinting, we compared the assembly of the bacterial, fungal and archaeal populations of microbial communities across nine soil niches from four Namib Desert soil habitats (riverbed, dune, gravel plain and salt pan). Permutational multivariate analysis of variance indicated that the nine soil niches presented significantly different physicochemistries (R 2  = 0.8306, P ≤ 0.0001) and that bacterial, fungal and archaeal populations were soil niche specific (R 2  ≥ 0.64, P ≤ 0.001). However, the abiotic drivers of community structure were Domain-specific (P < 0.05), with P, clay and sand fraction, and NH 4 influencing bacterial, fungal and archaeal communities, respectively. Soil physicochemistry and soil niche explained over 50% of the variation in community structure, and communities displayed strong non-random patterns of co-occurrence. Taken together, these results demonstrate that in central Namib Desert soil microbial communities, assembly is principally driven by deterministic processes.

A detailed study of the proton structure functions in deep inelastic muon-proton scattering

NASA Astrophysics Data System (ADS)

Aubert, J. J.; Bassompierre, G.; Becks, K. H.; Best, C.; Böhm, E.; de Bouard, X.; Brasse, F. W.; Broll, C.; Brown, S.; Carr, J.; Clifft, R. W.; Cobb, J. H.; Coignet, G.; Combley, F.; D'Agostini, G.; Dau, W. D.; Davies, J. K.; Déclais, Y.; Dobinson, R. W.; Dosselli, U.; Drees, J.; Edwards, A. W.; Edwards, M.; Favier, J.; Ferrero, M. I.; Flauger, W.; Gabathuler, E.; Gamet, R.; Gayler, J.; Gerhardt, V.; Gössling, C.; Haas, J.; Hamacher, K.; Hayman, P.; Henckes, M.; Korbel, V.; Landgraf, U.; Leenen, M.; Maire, M.; Mohr, W.; Montgomery, H. E.; Moser, K.; Mount, R. P.; Nassalski, J.; Norton, P. R.; McNicholas, J.; Osborne, A. M.; Payre, P.; Peroni, C.; Pessard, H.; Pietrzyk, U.; Rith, K.; Schneegans, M.; Sloan, T.; Stier, H. E.; Stockhausen, W.; Thénard, J. M.; Thompson, J. C.; Urban, L.; Wahlen, H.; Whalley, M.; Williams, W. S. C.; Williamson, J.; Wimpenny, S. J.; European Muon Collaboration

1985-09-01

The x and Q2 dependence of the single photon exchange cross section d 2σ/d Q2d x and the proton structure functions F2( x, Q2) and R( x, Q2) have been measured in deep inelastic muon proton scattering in the region 0.02 < x < 0.8 and 3 < Q2 < 190 GeV 2. By comparing data at different incident muon energies R was found to have little kinematic dependence and an average value of -0.010 ± 0.037 (stat.) ± 0.102 (stat.). The observed deviations from scaling gave the value of Λ overlineMS, the QCD mass scale parameter, to be 105 -45+55 (stat.) -45+85 (syst.) MeV. The fraction of the momentum of the nucleon carried by gluons was found to be ˜56% at Q2˜22.5 GeV 2. It is shown that to obtain a description of the data for F2( x, Q2) together with that measured in deep inelastic electron-proton scattering at lower Q2 it is necessary to include additional higher twist contributions. The value of Λ overlineMS remains unchanged with the inclusion of these contributions which were found to have an x-dependence of the form x3/(1 - x).

Clinical assessment and three-dimensional movement analysis: An integrated approach for upper limb evaluation in children with unilateral cerebral palsy

PubMed Central

Ortibus, Els; Simon-Martinez, Cristina; Desloovere, Kaat; Molenaers, Guy; Klingels, Katrijn; Feys, Hilde

2017-01-01

Introduction The clinical application of upper limb (UL) three-dimensional movement analysis (3DMA) in children with unilateral cerebral palsy (uCP) remains challenging, despite its benefits compared to conventional clinical scales. Moreover, knowledge on UL movement pathology and how this relates to clinical parameters remains scarce. Therefore, we investigated UL kinematics across different manual ability classification system (MACS) levels and explored the relation between clinical and kinematic parameters in children with uCP. Patients and methods Fifty children (MACS: I = 15, II = 26, III = 9) underwent an UL evaluation of sensorimotor impairments (grip force, muscle strength, muscle tone, two-point discrimination, stereognosis), bimanual performance (Assisting Hand Assessment, AHA), unimanual capacity (Melbourne Assessment 2, MA2) and UL-3DMA during hand-to-head, hand-to-mouth and reach-to-grasp tasks. Global parameters (Arm Profile Score (APS), duration, (timing of) maximum velocity, trajectory straightness) and joint specific parameters (angles at task endpoint, ROM and Arm Variable Scores (AVS)) were extracted. The APS and AVS refer respectively to the total amount of movement pathology and movement deviations of wrist, elbow, shoulder, scapula and trunk. Results Longer movement durations and increased APS were found with higher MACS-levels (p<0.001). Increased APS was also associated with more severe sensorimotor impairments (r = -0.30-(-0.73)) and with lower AHA and MA2-scores (r = -0.50-(-0.86)). For the joint specific parameters, stronger movement deviations distally were significantly associated with increased muscle weakness (r = -0.32-(-0.74)) and muscle tone (r = 0.33-(-0.61)); proximal movement deviations correlated only with muscle weakness (r = -0.35–0.59). Regression analysis exposed grip force as the most important predictor for the variability in APS (p<0.002). Conclusion We found increased movement pathology with increasing MACS-levels and demonstrated the adverse impact of especially muscle weakness. The lower correlations suggest that 3DMA provides additional information regarding UL motor function, particularly for the proximal joints. Integrating both methods seems clinically meaningful to obtain a comprehensive representation of all aspects of a child’s UL functioning. PMID:28671953

Clinical assessment and three-dimensional movement analysis: An integrated approach for upper limb evaluation in children with unilateral cerebral palsy.

PubMed

Mailleux, Lisa; Jaspers, Ellen; Ortibus, Els; Simon-Martinez, Cristina; Desloovere, Kaat; Molenaers, Guy; Klingels, Katrijn; Feys, Hilde

2017-01-01

The clinical application of upper limb (UL) three-dimensional movement analysis (3DMA) in children with unilateral cerebral palsy (uCP) remains challenging, despite its benefits compared to conventional clinical scales. Moreover, knowledge on UL movement pathology and how this relates to clinical parameters remains scarce. Therefore, we investigated UL kinematics across different manual ability classification system (MACS) levels and explored the relation between clinical and kinematic parameters in children with uCP. Fifty children (MACS: I = 15, II = 26, III = 9) underwent an UL evaluation of sensorimotor impairments (grip force, muscle strength, muscle tone, two-point discrimination, stereognosis), bimanual performance (Assisting Hand Assessment, AHA), unimanual capacity (Melbourne Assessment 2, MA2) and UL-3DMA during hand-to-head, hand-to-mouth and reach-to-grasp tasks. Global parameters (Arm Profile Score (APS), duration, (timing of) maximum velocity, trajectory straightness) and joint specific parameters (angles at task endpoint, ROM and Arm Variable Scores (AVS)) were extracted. The APS and AVS refer respectively to the total amount of movement pathology and movement deviations of wrist, elbow, shoulder, scapula and trunk. Longer movement durations and increased APS were found with higher MACS-levels (p<0.001). Increased APS was also associated with more severe sensorimotor impairments (r = -0.30-(-0.73)) and with lower AHA and MA2-scores (r = -0.50-(-0.86)). For the joint specific parameters, stronger movement deviations distally were significantly associated with increased muscle weakness (r = -0.32-(-0.74)) and muscle tone (r = 0.33-(-0.61)); proximal movement deviations correlated only with muscle weakness (r = -0.35-0.59). Regression analysis exposed grip force as the most important predictor for the variability in APS (p<0.002). We found increased movement pathology with increasing MACS-levels and demonstrated the adverse impact of especially muscle weakness. The lower correlations suggest that 3DMA provides additional information regarding UL motor function, particularly for the proximal joints. Integrating both methods seems clinically meaningful to obtain a comprehensive representation of all aspects of a child's UL functioning.

Weak data do not make a free lunch, only a cheap meal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Zhipu; Rajashankar, Kanagalaghatta; Dauter, Zbigniew, E-mail: dauter@anl.gov

2014-02-01

Refinement and analysis of four structures with various data resolution cutoffs suggests that at present there are no reliable criteria for judging the diffraction data resolution limit and the condition I/σ(I) = 2.0 is reasonable. However, extending the limit by about 0.2 Å beyond the resolution defined by this threshold does not deteriorate the quality of refined structures and in some cases may be beneficial. Four data sets were processed at resolutions significantly exceeding the criteria traditionally used for estimating the diffraction data resolution limit. The analysis of these data and the corresponding model-quality indicators suggests that the criteria ofmore » resolution limits widely adopted in the past may be somewhat conservative. Various parameters, such as R{sub merge} and I/σ(I), optical resolution and the correlation coefficients CC{sub 1/2} and CC*, can be used for judging the internal data quality, whereas the reliability factors R and R{sub free} as well as the maximum-likelihood target values and real-space map correlation coefficients can be used to estimate the agreement between the data and the refined model. However, none of these criteria provide a reliable estimate of the data resolution cutoff limit. The analysis suggests that extension of the maximum resolution by about 0.2 Å beyond the currently adopted limit where the I/σ(I) value drops to 2.0 does not degrade the quality of the refined structural models, but may sometimes be advantageous. Such an extension may be particularly beneficial for significantly anisotropic diffraction. Extension of the maximum resolution at the stage of data collection and structure refinement is cheap in terms of the required effort and is definitely more advisable than accepting a too conservative resolution cutoff, which is unfortunately quite frequent among the crystal structures deposited in the Protein Data Bank.« less

Blood coagulation profiling in patients using optical thromboelastography (OTEG) (Conference Presentation)

NASA Astrophysics Data System (ADS)

Tripathi, Markandey M.; Tshikudi, Diane M.; Hajjarian, Zeinab; Van Cott, Elizabeth M.; Nadkarni, Seemantini K.

2016-02-01

Impaired blood coagulation is often associated with increased postoperative mortality and morbidity in cardiovascular patients. The capability for blood coagulation profiling rapidly at the bedside will enable the timely detection of coagulation defects and open the opportunity for tailoring therapy to correct specific coagulation deficits Optical Thromboelastography (OTEG), is an optical approach to quantify blood coagulation status within minutes using a few drops of whole blood. The goal of the current study is to evaluate the diagnostic accuracy of OTEG for rapid coagulation profiling in patients. In OTEG, temporal laser speckle intensity fluctuations from a drop of clotting blood are measured using a CMOS camera. To quantify coagulation status, the speckle intensity autocorrelation function is measured, the mean square displacement of scattering particles is extracted, and viscoelastic modulus (G), during coagulation is measured via the generalized Stokes-Einstein relation. By quantifying time-resolved changes in G, the coagulation parameters, reaction time (R), clot progression time (K), clot progression rate (Angle), and maximum clot strength (MA) are derived. In this study, the above coagulation parameters were measured using OTEG in 269 patients and compared with standard mechanical Thromboelastography (TEG). Our results showed a strong correlation between OTEG and TEG measurements for all parameters: R-time (R=0.80, p<0.001), clotting time (R=0.78, p<0.001), Angle (R=0.58, p<0.001), and MA (R=0.60, p<0.001). These results demonstrate the unique capability of OTEG for rapid quantification of blood coagulation status to potentially improve clinical capability for identifying impaired coagulation in cardiovascular patients at the point of care.

Duelling timescales of host mixing and disease spread determine invasion of disease in structured populations

USGS Publications Warehouse

Cross, P.C.; Lloyd-Smith, James O.; Johnson, P.L.F.; Getz, W.M.

2005-01-01

The epidemic potential of a disease is traditionally assessed using the basic reproductive number, R0. However, in populations with social or spatial structure a chronic disease is more likely to invade than an acute disease with the same R0, because it persists longer within each group and allows for more host movement between groups. Acute diseases ‘perceive’ a more structured host population, and it is more important to consider host population structure in analyses of these diseases. The probability of a pandemic does not arise independently from characteristics of either the host or disease, but rather from the interaction of host movement and disease recovery timescales. The R* statistic, a group-level equivalent of R0, is a better indicator of disease invasion in structured populations than the individual-level R0.

Reliability and validity of gait analysis by android-based smartphone.

PubMed

Nishiguchi, Shu; Yamada, Minoru; Nagai, Koutatsu; Mori, Shuhei; Kajiwara, Yuu; Sonoda, Takuya; Yoshimura, Kazuya; Yoshitomi, Hiroyuki; Ito, Hiromu; Okamoto, Kazuya; Ito, Tatsuaki; Muto, Shinyo; Ishihara, Tatsuya; Aoyama, Tomoki

2012-05-01

Smartphones are very common devices in daily life that have a built-in tri-axial accelerometer. Similar to previously developed accelerometers, smartphones can be used to assess gait patterns. However, few gait analyses have been performed using smartphones, and their reliability and validity have not been evaluated yet. The purpose of this study was to evaluate the reliability and validity of a smartphone accelerometer. Thirty healthy young adults participated in this study. They walked 20 m at their preferred speeds, and their trunk accelerations were measured using a smartphone and a tri-axial accelerometer that was secured over the L3 spinous process. We developed a gait analysis application and installed it in the smartphone to measure the acceleration. After signal processing, we calculated the gait parameters of each measurement terminal: peak frequency (PF), root mean square (RMS), autocorrelation peak (AC), and coefficient of variance (CV) of the acceleration peak intervals. Remarkable consistency was observed in the test-retest reliability of all the gait parameter results obtained by the smartphone (p<0.001). All the gait parameter results obtained by the smartphone showed statistically significant and considerable correlations with the same parameter results obtained by the tri-axial accelerometer (PF r=0.99, RMS r=0.89, AC r=0.85, CV r=0.82; p<0.01). Our study indicates that the smartphone with gait analysis application used in this study has the capacity to quantify gait parameters with a degree of accuracy that is comparable to that of the tri-axial accelerometer.

Determining H {sub 0} with Bayesian hyper-parameters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cardona, Wilmar; Kunz, Martin; Pettorino, Valeria, E-mail: wilmar.cardona@unige.ch, E-mail: Martin.Kunz@unige.ch, E-mail: valeria.pettorino@thphys.uni-heidelberg.de

We re-analyse recent Cepheid data to estimate the Hubble parameter H {sub 0} by using Bayesian hyper-parameters (HPs). We consider the two data sets from Riess et al. 2011 and 2016 (labelled R11 and R16, with R11 containing less than half the data of R16) and include the available anchor distances (megamaser system NGC4258, detached eclipsing binary distances to LMC and M31, and MW Cepheids with parallaxes), use a weak metallicity prior and no period cut for Cepheids. We find that part of the R11 data is down-weighted by the HPs but that R16 is mostly consistent with expectations formore » a Gaussian distribution, meaning that there is no need to down-weight the R16 data set. For R16, we find a value of H {sub 0} = 73.75 ± 2.11 km s{sup −1} Mpc{sup −1} if we use HPs for all data points (including Cepheid stars, supernovae type Ia, and the available anchor distances), which is about 2.6 σ larger than the Planck 2015 value of H {sub 0} = 67.81 ± 0.92 km s{sup −1} Mpc{sup −1} and about 3.1 σ larger than the updated Planck 2016 value 66.93 ± 0.62 km s{sup −1} Mpc{sup −1}. If we perfom a standard χ{sup 2} analysis as in R16, we find H {sub 0} = 73.46 ± 1.40 (stat) km s{sup −1} Mpc{sup −1}. We test the effect of different assumptions, and find that the choice of anchor distances affects the final value significantly. If we exclude the Milky Way from the anchors, then the value of H {sub 0} decreases. We find however no evident reason to exclude the MW data. The HP method used here avoids subjective rejection criteria for outliers and offers a way to test datasets for unknown systematics.« less

ThMn12-type phases for magnets with low rare-earth content: Crystal-field analysis of the full magnetization process.

PubMed

Tereshina, I S; Kostyuchenko, N V; Tereshina-Chitrova, E A; Skourski, Y; Doerr, M; Pelevin, I A; Zvezdin, A K; Paukov, M; Havela, L; Drulis, H

2018-02-26

Rare-earth (R)-iron alloys are a backbone of permanent magnets. Recent increase in price of rare earths has pushed the industry to seek ways to reduce the R-content in the hard magnetic materials. For this reason strong magnets with the ThMn 12  type of structure came into focus. Functional properties of R(Fe,T) 12 (T-element stabilizes the structure) compounds or their interstitially modified derivatives, R(Fe,T) 12 -X (X is an atom of hydrogen or nitrogen) are determined by the crystal-electric-field (CEF) and exchange interaction (EI) parameters. We have calculated the parameters using high-field magnetization data. We choose the ferrimagnetic Tm-containing compounds, which are most sensitive to magnetic field and demonstrate that TmFe 11 Ti-H reaches the ferromagnetic state in the magnetic field of 52 T. Knowledge of exact CEF and EI parameters and their variation in the compounds modified by the interstitial atoms is a cornerstone of the quest for hard magnetic materials with low rare-earth content.

Three-strategy N-person snowdrift game incorporating loners

NASA Astrophysics Data System (ADS)

Xu, Meng; Zheng, Da-Fang; Xu, C.; Hui, P. M.

2017-02-01

The N-person snowdrift game is generalized to incorporate a third strategy. In addition to the cooperative C and non-cooperative D strategies, a strategy L representing a loner behavior is introduced. Agents taking on the L strategy (L-agents) do not contribute to the game as the C-agents do but they do not take advantage of the C-agents. Instead, they would rather settle with a fixed payoff L. Dynamical equations governing the time evolution of the frequencies of the strategies in a well-mixed population are derived. The dynamics and the frequencies of the steady state reveal the rich behavior resulting from the interplay between the payoff r, which promotes the non-cooperative behavior, and L. Detailed studies on how a system evolves indicated that the steady state could be an AllL, AllC, or C+D state, depending on the parameters r, L, and group size N. In contrast, only a C+D state results for r > 0 and an AllC state is possible only at r = 0 without the strategy L. With the strategy L, the AllC phase occupies a finite, though tiny, region of the r- L parameter space. The L-agents play an important role in the dynamics leading to the AllC phase. They help eliminate the D strategy in the transient and later only to be replaced by the C strategy. Phase diagrams in the r- L space are presented for different values of N. The strategy L plays two roles. It leads to an AllL phase and helps give an AllC phase. An algorithm for simulating the model numerically is described and validated. The algorithm will be useful in studying our model in various structured populations.

Parameterization of water vapor using high-resolution GPS data and empirical models

NASA Astrophysics Data System (ADS)

Ningombam, Shantikumar S.; Jade, Sridevi; Shrungeshwara, T. S.

2018-03-01

The present work evaluates eleven existing empirical models to estimate Precipitable Water Vapor (PWV) over a high-altitude (4500 m amsl), cold-desert environment. These models are tested extensively and used globally to estimate PWV for low altitude sites (below 1000 m amsl). The moist parameters used in the model are: water vapor scale height (Hc), dew point temperature (Td) and water vapor pressure (Es 0). These moist parameters are derived from surface air temperature and relative humidity measured at high temporal resolution from automated weather station. The performance of these models are examined statistically with observed high-resolution GPS (GPSPWV) data over the region (2005-2012). The correlation coefficient (R) between the observed GPSPWV and Model PWV is 0.98 at daily data and varies diurnally from 0.93 to 0.97. Parameterization of moisture parameters were studied in-depth (i.e., 2 h to monthly time scales) using GPSPWV , Td , and Es 0 . The slope of the linear relationships between GPSPWV and Td varies from 0.073°C-1 to 0.106°C-1 (R: 0.83 to 0.97) while GPSPWV and Es 0 varied from 1.688 to 2.209 (R: 0.95 to 0.99) at daily, monthly and diurnal time scales. In addition, the moist parameters for the cold desert, high-altitude environment are examined in-depth at various time scales during 2005-2012.

Using the basic reproduction number to assess the effects of climate change in the risk of Chagas disease transmission in Colombia.

PubMed

Cordovez, Juan M; Rendon, Lina Maria; Gonzalez, Camila; Guhl, Felipe

2014-01-01

The dynamics of vector-borne diseases has often been linked to climate change. However the commonly complex dynamics of vector-borne diseases make it very difficult to predict risk based on vector or host distributions. The basic reproduction number (R0) integrates all factors that determine whether a pathogen can establish or not. To obtain R0 for complex vector-borne diseases one can use the next-generation matrix (NGM) approach. We used the NGM to compute R0 for Chagas disease in Colombia incorporating the effect of temperature in some of the transmission routes of Trypanosoma cruzi. We used R0 to generate a risk map of present conditions and a forecast risk map at 20 years from now based on mean annual temperature (data obtained from Worldclim). In addition we used the model to compute elasticity and sensitivity indexes on all model parameters and routes of transmission. We present this work as an approach to indicate which transmission pathways are more critical for disease transmission but acknowledge the fact that results and projections strongly depend on better knowledge of entomological parameters and transmission routes. We concluded that the highest contribution to R0 comes from transmission of the parasites from humans to vectors, which is a surprising result. In addition,parameters related to contacts between human and vectors and the efficiency of parasite transmission between them also show a prominent effect on R0.

Can we predict uranium bioavailability based on soil parameters? Part 1: effect of soil parameters on soil solution uranium concentration.

PubMed

Vandenhove, H; Van Hees, M; Wouters, K; Wannijn, J

2007-01-01

Present study aims to quantify the influence of soil parameters on soil solution uranium concentration for (238)U spiked soils. Eighteen soils collected under pasture were selected such that they covered a wide range for those parameters hypothesised as being potentially important in determining U sorption. Maximum soil solution uranium concentrations were observed at alkaline pH, high inorganic carbon content and low cation exchange capacity, organic matter content, clay content, amorphous Fe and phosphate levels. Except for the significant correlation between the solid-liquid distribution coefficients (K(d), L kg(-1)) and the organic matter content (R(2)=0.70) and amorphous Fe content (R(2)=0.63), there was no single soil parameter significantly explaining the soil solution uranium concentration (which varied 100-fold). Above pH=6, log(K(d)) was linearly related with pH [log(K(d))=-1.18 pH+10.8, R(2)=0.65]. Multiple linear regression analysis did result in improved predictions of the soil solution uranium concentration but the model was complex.

Long-term low dose dietary resveratrol supplement reduces cardiovascular structural and functional deterioration in chronic heart failure in rats.

PubMed

Ahmet, Ismayil; Tae, Hyun-Jin; Lakatta, Edward G; Talan, Mark

2017-03-01

A short-term exposure to resveratrol at high dosages exerts a remarkable cardioprotective effect. Whether a long-term exposure to resveratrol at low dosages that can be obtained through consumption of a resveratrol-rich diet is beneficial to heart diseases is unknown. We tested the effects of a resveratrol-enriched diet on cardiovascular remodeling of chronic heart failure (CHF) in rats resulting from permanent ligation of left coronary artery. Two weeks after surgery, rats were started on either a resveratrol-enriched (R; 5 mg/kg per day; n = 23) or normal (Control; n = 23) diet for next 10 months. Serial echocardiography in Control showed a significant decline in LV ejection fraction, increases in LV end-systolic and end-diastolic volumes, and expansion in myocardial infarct from pre-treatment values. In R, compared with Control, there were substantial improvements in those parameters. End-point LV pressure-volume loop analysis showed a significantly improved LV systolic function and AV-coupling, an index of energy transfer efficacy between the heart and aortic tree, in R compared with Control (p < 0.05). Aortic pulse wave velocity, a measure of arterial stiffness, was significantly lower in R (389 ± 15 cm/s; p < 0.05) compared with Control (489 ± 38 cm/s). These results demonstrated that long-term dietary resveratrol supplement reduces cardiovascular structural and functional deterioration in CHF.

Selection of entropy-measure parameters for knowledge discovery in heart rate variability data

PubMed Central

2014-01-01

Background Heart rate variability is the variation of the time interval between consecutive heartbeats. Entropy is a commonly used tool to describe the regularity of data sets. Entropy functions are defined using multiple parameters, the selection of which is controversial and depends on the intended purpose. This study describes the results of tests conducted to support parameter selection, towards the goal of enabling further biomarker discovery. Methods This study deals with approximate, sample, fuzzy, and fuzzy measure entropies. All data were obtained from PhysioNet, a free-access, on-line archive of physiological signals, and represent various medical conditions. Five tests were defined and conducted to examine the influence of: varying the threshold value r (as multiples of the sample standard deviation σ, or the entropy-maximizing rChon), the data length N, the weighting factors n for fuzzy and fuzzy measure entropies, and the thresholds rF and rL for fuzzy measure entropy. The results were tested for normality using Lilliefors' composite goodness-of-fit test. Consequently, the p-value was calculated with either a two sample t-test or a Wilcoxon rank sum test. Results The first test shows a cross-over of entropy values with regard to a change of r. Thus, a clear statement that a higher entropy corresponds to a high irregularity is not possible, but is rather an indicator of differences in regularity. N should be at least 200 data points for r = 0.2 σ and should even exceed a length of 1000 for r = rChon. The results for the weighting parameters n for the fuzzy membership function show different behavior when coupled with different r values, therefore the weighting parameters have been chosen independently for the different threshold values. The tests concerning rF and rL showed that there is no optimal choice, but r = rF = rL is reasonable with r = rChon or r = 0.2σ. Conclusions Some of the tests showed a dependency of the test significance on the data at hand. Nevertheless, as the medical conditions are unknown beforehand, compromises had to be made. Optimal parameter combinations are suggested for the methods considered. Yet, due to the high number of potential parameter combinations, further investigations of entropy for heart rate variability data will be necessary. PMID:25078574

Selection of entropy-measure parameters for knowledge discovery in heart rate variability data.

PubMed

Mayer, Christopher C; Bachler, Martin; Hörtenhuber, Matthias; Stocker, Christof; Holzinger, Andreas; Wassertheurer, Siegfried

2014-01-01

Heart rate variability is the variation of the time interval between consecutive heartbeats. Entropy is a commonly used tool to describe the regularity of data sets. Entropy functions are defined using multiple parameters, the selection of which is controversial and depends on the intended purpose. This study describes the results of tests conducted to support parameter selection, towards the goal of enabling further biomarker discovery. This study deals with approximate, sample, fuzzy, and fuzzy measure entropies. All data were obtained from PhysioNet, a free-access, on-line archive of physiological signals, and represent various medical conditions. Five tests were defined and conducted to examine the influence of: varying the threshold value r (as multiples of the sample standard deviation σ, or the entropy-maximizing rChon), the data length N, the weighting factors n for fuzzy and fuzzy measure entropies, and the thresholds rF and rL for fuzzy measure entropy. The results were tested for normality using Lilliefors' composite goodness-of-fit test. Consequently, the p-value was calculated with either a two sample t-test or a Wilcoxon rank sum test. The first test shows a cross-over of entropy values with regard to a change of r. Thus, a clear statement that a higher entropy corresponds to a high irregularity is not possible, but is rather an indicator of differences in regularity. N should be at least 200 data points for r = 0.2 σ and should even exceed a length of 1000 for r = rChon. The results for the weighting parameters n for the fuzzy membership function show different behavior when coupled with different r values, therefore the weighting parameters have been chosen independently for the different threshold values. The tests concerning rF and rL showed that there is no optimal choice, but r = rF = rL is reasonable with r = rChon or r = 0.2σ. Some of the tests showed a dependency of the test significance on the data at hand. Nevertheless, as the medical conditions are unknown beforehand, compromises had to be made. Optimal parameter combinations are suggested for the methods considered. Yet, due to the high number of potential parameter combinations, further investigations of entropy for heart rate variability data will be necessary.

Luminescence properties of Dy3+ doped lithium zinc borosilicate glasses for photonic applications.

PubMed

Jaidass, N; Krishna Moorthi, C; Mohan Babu, A; Reddi Babu, M

2018-03-01

Different concentrations of Dy 3+ ions doped lithium zinc borosilicate glasses of chemical composition (30-x) B 2 O 3 - 25 SiO 2 -10 Al 2 O 3 -30 LiF - 5 ZnO - x Dy 2 O 3 (x = 0, 0.1, 0.5, 1.0 and 2.0 mol%) were prepared by the melt quenching technique. The prepared glasses were investigated through X-ray diffraction, optical absorption, photoluminescence and decay measurements. Intensities of absorption bands expressed in terms of oscillator strengths (f) were used to determine the Judd-Ofelt (J-O) intensity parameters Ω λ (λ = 2, 4 and 6). The evaluated J-O parameters were used to determine the radiative parameters such as transition probabilities (A R ), total transition probability rate (A T ), radiative lifetime (τ R ) and branching ratios (β R ) for the excited 4 F 9/2 level of Dy 3+ ions. The chromaticity coordinates determined from the emission spectra were found to be located in the white light region of CIE chromaticity diagram.

Comparative study of optic disc measurement by Copernicus optical coherence tomography and Heidelberg retinal tomography.

PubMed

Yang, Qing-Song; Yu, Ya-Jie; Li, Shu-Ning; Liu, Juan; Hao, Ying-Juan

2012-08-01

Copernicus optical coherence tomography (SOCT) is a new, ultra high-speed and high-resolution instrument available for clinical evaluation of optic nerve. The purpose of the study was to compare the agreements between SOCT and Heidelberg retinal tomography (HRT). A total of 44 healthy normal volunteers were recruited in this study. One eye in each subject was selected randomly. Agreement between SOCT and HRT-3 in measuring optic disc area was assessed using Bland-Altman plots. Relationships between measurements of optic nerve head parameter obtained by SOCT and HRT-3 were assessed by Pearson correlation. There was no significant difference in the average cup area (0.306 vs. 0.355 mm, P = 0.766), cup volume (0.158 vs. 0.130 mm, P = 0.106) and cup/disc ration (0.394 vs. 0.349 mm, P = 0.576) measured by the two instruments. However, other optic disc parameters from SOCT were significantly lower compared with HRT-3. The Bland-Altman plot revealed good agreement of cup area and cup volume measured by SOCT and HRT-3. Bad agreement of disc area, rim area, rim volume and cup/disc ratio were found between SOCT and HRT-3. The highest correlations between the two instruments were observed for cup area (r(2) = 0.783, P = 0.000) and cup/disc ratio (r(2) = 0.669, P = 0.000), whereas the lowest correlation was observed for disc area (r(2) = 0.100, P = 0.037), rim area (r(2) = 0.275, P = 0.000), cup volume (r(2) = 0.005, P = 0.391) and rim volume (r(2) = 0.021, P = 0.346). There were poor agreements between SOCT and HRT-3 for measurement of optic nerve parameters except cup area and cup volume. Measurement results of the two instruments are not interchangeable.

Non-Surgical Periodontal Therapy Reduces Saliva Adipokine and Matrix Metalloproteinase Levels in Periodontitis.

PubMed

Özcan, Erkan; Işıl Saygun, N; Serdar, Muhittin A; Umut Bengi, V; Kantarcı, Alpdoğan

2016-08-01

Adipokines enhance the synthesis of proinflammatory cytokines and matrix metalloproteinases (MMPs), which play a role in extracellular matrix degeneration. The aim of this study is to determine the levels of some adipokines, proinflammatory cytokines, and MMPs in the saliva of patients with periodontitis and healthy individuals and to evaluate the changes after non-surgical periodontal therapy (NSPT). Of 32 individuals included in the study, 17 had periodontitis and 15 had healthy gingiva. Saliva samples were obtained from all individuals. In patients with periodontitis, samples were recollected 3 and 6 months after NSPT. Visfatin, chemerin, progranulin, interleukin (IL)-1β, IL-8, MMP-8, and MMP-13 levels were measured using enzyme-linked immunosorbent assay. In patients with periodontitis, all of the parameters measured in the saliva were higher than those of healthy individuals. At 3 months, visfatin, progranulin, IL-8, and MMP-8 levels were significantly decreased compared with baseline values. The levels of other biochemical parameters, chemerin and IL-1β, were significantly decreased compared with baseline values at 6 months, and the levels became similar to those in healthy individuals. In the periodontitis group, positive correlations were found among visfatin and IL-8 (r = 0.909, P <0.01), MMP-8 (r = 0.702, P = 0.02), and MMP-13 (r = 0.781, P = 0.01); chemerin and IL-8 (r = 0.913, P <0.01), MMP-8 (r = 0.770, P <0.01), and MMP-13 (r = 0.788, P <0.01); and progranulin and IL-8 (r = 0.762, P <0.01), MMP-8 (r = 0.845, P <0.01), and MMP-13 (r = 0.813, P <0.01). Adipokines may contribute to the breakdown of periodontal tissue in periodontitis by stimulating the expression of proinflammatory cytokines and MMPs.

The Use of Platelets to Affect Functional Healing of an Anterior Cruciate Ligament (ACL) Autograft in a Caprine ACL Reconstruction Model

PubMed Central

Spindler, Kurt P.; Murray, Martha M.; Carey, James L.; Zurakowski, David; Fleming, Braden C.

2009-01-01

Many anterior cruciate ligament (ACL) reconstructions have increased laxity postoperatively. We hypothesized that enhancing an ACL graft with a collagen-platelet composite (CPC) would improve knee laxity and graft structural properties. We also hypothesized the platelet concentration in the CPC would affect these parameters. Twelve goats underwent ACL reconstruction with autologous patellar tendon graft. In six goats, a collagen-platelet composite was placed around the graft (CPC group). In the remaining six goats, the collagen scaffold only was used (COLL group). Three goats were excluded due to complications. After 6 weeks in vivo, anterior–posterior (AP) laxity and tensile properties of the ACL reconstructed knees were measured and normalized against the contralateral intact knee. At a knee flexion angle of 30°, the average increase in AP laxity was 40% less in the CPC group than the COLL group (p = 0.045). At 60°, the AP laxity was 30% less in the CPC group, a difference that was close to statistical significance (p = 0.080). No differences were found between treatment groups with respect to the structural properties (p > 0.30). However, there were significant correlations between serum platelet concentration and AP laxity (R2 = 0.643; p = 0.009), maximum load (R2 = 0.691; p = 0.006), and graft stiffness (R2 = 0.840; p < 0.001). In conclusion, use of a CPC to enhance healing of an allograft ACL reconstruction inversely correlated with early sagittal plane laxity and the systemic platelet count was highly predictive of ACL reconstruction graft strength and stiffness at 6 weeks. These findings emphasize the importance of further research on delineating the effect of platelets in treating of ACL injuries. PMID:19009602

Delithiated states of layered cathode materials: doping and dispersion interaction effects on the structure

NASA Astrophysics Data System (ADS)

Eremin, Roman; Zolotarev, Pavel; Bobrikov, Ivan

2018-04-01

Here we present results of density functional theory (DFT) study of delithiated structures of layered LiNiO2 (LNO, Li12Ni12O24 model) cathode material and its doped analogue LiNi0.833Co0.083Al0.083O2 (N10C1A1, Li12Ni10CoAlO24 model). The paper is aimed at independent elucidation of doping and dispersion interaction effects on the structural stability of cathode materials studied. For this purpose, the LNO and N10C1A1 configurational spaces consisting of 87 and 4512 crystallographically independent configurations (obtained starting from 2×2×1 supercell of R-3m structure of LNO) are optimized within a number of DFT models. Based on a comparison of the calculated dependencies for the lattice parameters with the results of in situ neutron diffraction experiments, the most pronounced effect of cathode material stabilization is due to the dispersion interaction. In turn, the doping effect is found to affect cathode structure behavior at the latest stages of delithiation only.

Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction

PubMed Central

O'Boyle, Noel M; Palmer, David S; Nigsch, Florian; Mitchell, John BO

2008-01-01

Background We present a novel feature selection algorithm, Winnowing Artificial Ant Colony (WAAC), that performs simultaneous feature selection and model parameter optimisation for the development of predictive quantitative structure-property relationship (QSPR) models. The WAAC algorithm is an extension of the modified ant colony algorithm of Shen et al. (J Chem Inf Model 2005, 45: 1024–1029). We test the ability of the algorithm to develop a predictive partial least squares model for the Karthikeyan dataset (J Chem Inf Model 2005, 45: 581–590) of melting point values. We also test its ability to perform feature selection on a support vector machine model for the same dataset. Results Starting from an initial set of 203 descriptors, the WAAC algorithm selected a PLS model with 68 descriptors which has an RMSE on an external test set of 46.6°C and R2 of 0.51. The number of components chosen for the model was 49, which was close to optimal for this feature selection. The selected SVM model has 28 descriptors (cost of 5, ε of 0.21) and an RMSE of 45.1°C and R2 of 0.54. This model outperforms a kNN model (RMSE of 48.3°C, R2 of 0.47) for the same data and has similar performance to a Random Forest model (RMSE of 44.5°C, R2 of 0.55). However it is much less prone to bias at the extremes of the range of melting points as shown by the slope of the line through the residuals: -0.43 for WAAC/SVM, -0.53 for Random Forest. Conclusion With a careful choice of objective function, the WAAC algorithm can be used to optimise machine learning and regression models that suffer from overfitting. Where model parameters also need to be tuned, as is the case with support vector machine and partial least squares models, it can optimise these simultaneously. The moving probabilities used by the algorithm are easily interpreted in terms of the best and current models of the ants, and the winnowing procedure promotes the removal of irrelevant descriptors. PMID:18959785

The Relationship Between Technical And Nontechnical Skills Within A Simulation-Based Ureteroscopy Training Environment.

PubMed

Brunckhorst, Oliver; Shahid, Shahab; Aydin, Abdullatif; Khan, Shahid; McIlhenny, Craig; Brewin, James; Sahai, Arun; Bello, Fernando; Kneebone, Roger; Shamim Khan, Muhammad; Dasgupta, Prokar; Ahmed, Kamran

2015-01-01

Little integration of technical and nontechnical skills (e.g., situational awareness, communication, decision making, teamwork, and leadership) teaching exists within surgery. We therefore aimed to (1) evaluate the relationship between these 2 skill sets within a simulation-based environment and (2) assess if certain nontechnical skill components are of particular relevance to technical performance. A prospective analysis of data acquired from a comparative study of simulation vs nonsimulation training was conducted. Half of the participants underwent training of technical and nontechnical skills within ureteroscopy, with the remaining half undergoing no training. All were assessed within a full immersion environment against both technical (time to completion, Objective Structured Assessment of Technical Skills, and task-specific checklist scores) and nontechnical parameters (Nontechnical Skills for Surgeons [NOTSS] rating scale). The data of whole and individual cohorts were analyzed using Pearson correlation coefficient. The trial took place within the Simulation and Interactive Learning Centre at Guy's Hospital, London, UK. In total, 32 novice participants with no prior practical ureteroscopy experience were included within the data analysis. A correlation was found within all outcome measures analyzed. For the whole cohort, a strong negative correlation was found between time to completion and NOTSS scores (r = -0.75, p < 0.001), with strong positive correlations identified when NOTSS scores were compared with Objective Structured Assessment of Technical Skills (r = 0.89, p < 0.001) and task-specific checklist scores (r = 0.91, p < 0.001). Similar results were observed when each cohort was analyzed separately. Finally, all individual nontechnical skill components demonstrated a strong correlation with all technical skill parameters, regardless of training. A strong correlation between technical and nontechnical performance exists, which was demonstrated to be irrespective of training received. This may suggest an inherent link between skill sets. Furthermore, all nontechnical skill sets are important in technical performance. This supports the notion that both of these skills should be trained and assessed together within 1 curriculum. Copyright © 2015 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.

Crystal structure, phase transition and structural deformations in iron borate (Y0.95Bi0.05)Fe3(BO3)4 in the temperature range 90-500 K.

PubMed

Smirnova, Ekaterina S; Alekseeva, Olga A; Dudka, Alexander P; Artemov, Vladimir V; Zubavichus, Yan V; Gudim, Irina A; Bezmaterhykh, Leonard N; Frolov, Kirill V; Lyubutin, Igor S

2018-04-01

An accurate X-ray diffraction study of (Y 0.95 Bi 0.05 )Fe 3 (BO 3 ) 4 single crystals in the temperature range 90-500 K was performed on a laboratory diffractometer and used synchrotron radiation. It was established that the crystal undergoes a diffuse structural phase transition in the temperature range 350-380 K. The complexity of localization of such a transition over temperature was overcome by means of special analysis of systematic extinction reflections by symmetry. The transition temperature can be considered to be T str ≃ 370 K. The crystal has a trigonal structure in the space group P3 1 21 at temperatures of 90-370 K, and it has a trigonal structure in the space group R32 at 375-500 K. There is one type of chain formed by the FeO 6 octahedra along the c axis in the R32 phase. When going into the P3 1 21 phase, two types of nonequivalent chains arise, in which Fe atoms are separated from the Y atoms by a different distance. Upon lowering the temperature from 500 to 90 K, a distortion of the Y(Bi)O 6 , FeO 6 , B(2,3)O 3 coordination polyhedra is observed. The distances between atoms in helical Fe chains and Fe-O-Fe angles change non-uniformly. A sharp jump in the equivalent isotropic displacement parameters of O1 and O2 atoms within the Fe-Fe chains and fluctuations of the equivalent isotropic displacement parameters of B2 and B3 atoms were observed in the region of structural transition as well as noticeable elongation of O1, O2, B2, B3, Fe1, Fe2 atomic displacement ellipsoids. It was established that the helices of electron density formed by Fe, O1 and O2 atoms may be structural elements determining chirality, optical activity and multiferroicity of rare-earth iron borates. Compression and stretching of these helices account for the symmetry change and for the manifestation of a number of properties, whose geometry is controlled by an indirect exchange interaction between iron cations that compete with the thermal motion of atoms in the structure. Structural analysis detected these changes as variations of a number of structural characteristics in the c unit-cell direction, that is, the direction of the helices. Structural results for the local surrounding of the atoms in (Y 0.95 Bi 0.05 )Fe 3 (BO 3 ) 4 were confirmed by EXAFS and Mössbauer spectroscopies.

The PAndAS View of the Andromeda Satellite System. II. Detailed Properties of 23 M31 Dwarf Spheroidal Galaxies

NASA Astrophysics Data System (ADS)

Martin, Nicolas F.; Ibata, Rodrigo A.; Lewis, Geraint F.; McConnachie, Alan; Babul, Arif; Bate, Nicholas F.; Bernard, Edouard; Chapman, Scott C.; Collins, Michelle M. L.; Conn, Anthony R.; Crnojević, Denija; Fardal, Mark A.; Ferguson, Annette M. N.; Irwin, Michael; Mackey, A. Dougal; McMonigal, Brendan; Navarro, Julio F.; Rich, R. Michael

2016-12-01

We present a comprehensive analysis of the structural properties and luminosities of the 23 dwarf spheroidal galaxies that fall within the footprint of the Pan-Andromeda Archaeological Survey (PAndAS). These dwarf galaxies represent the large majority of Andromeda’s known satellite dwarf galaxies and cover a wide range in luminosity (-11.6≲ {M}V≲ -5.8 or {10}4.2≲ L≲ {10}6.5 {L}⊙ ) and surface brightness (25.1≲ {μ }0≲ 29.3 mag arcsec-2). We confirm most previous measurements, but we find And XIX to be significantly larger than before ({r}h={3065}-935+1065 {pc}, {M}V=-{10.1}-0.4+0.8) and cannot derive parameters for And XXVII as it is likely not a bound stellar system. We also significantly revise downward the luminosities of And XV and And XVI, which are now {M}V˜ -7.5 or L˜ {10}5 {L}⊙ . Finally, we provide the first detailed analysis of Cas II/And XXX, a fairly faint system ({M}V=-{8.0}-0.3+0.4) of typical size ({r}h=270+/- 50 {pc}), located in close proximity to the two bright elliptical dwarf galaxies NGC 147 and NGC 185. Combined with the set of homogeneous distances published in an earlier contribution, our analysis dutifully tracks all relevant sources of uncertainty in the determination of the properties of the dwarf galaxies from the PAndAS photometric catalog. We further publish the posterior probability distribution functions of all the parameters we fit for in the form of MCMC chains available online; these inputs should be used in any analysis that aims to remain truthful to the data and properly account for covariance between parameters.

Dietary Inflammatory Index and Cardiometabolic Risk Parameters in Overweight and Sedentary Subjects

PubMed Central

Camargo-Ramos, Claudia Marcela

2017-01-01

Nutrition has been established as a relevant factor in the development of cardiovascular disease (CVD). We aimed to investigate the relationship between the dietary inflammatory index (DII) and cardiometabolic risk parameters in a cohort of 90 overweight and sedentary adults from Bogotá, Colombia. A 24-h dietary record was used to calculate the DII. Body composition variables, flow-mediated dilation (FMD), pulse wave velocity (PWV), lipid profile, glucose, glycosylated hemoglobin (Hb1Ac), and blood pressure were measured and a cardiometabolic risk score (MetScore) was calculated. A lower DII score (anti-inflammatory diet) was significantly associated with higher high-density lipoprotein-cholesterol (HDL-C) and FMD, and lower Hb1Ac and MetScore (p < 0.05). A lower DII score was inversely correlated with plasma triglyceride levels (r = −0.354, p < 0.05), glucose (r = −0.422, p < 0.05), MetScore (r = −0.228, p < 0.05), and PWV (r = −0.437, p < 0.05), and positively with FMD (r = 0.261, p < 0.05). In contrast, a higher DII score (pro-inflammatory diet) showed a positive relationship with MetScore (r = 0.410, p < 0.05) and a negative relationship with FMD (r = −0.233, p < 0.05). An increased inflammatory potential of diet was inversely associated with an improved cardiometabolic profile, suggesting the importance of promoting anti-inflammatory diets as an effective strategy for preventing CVD. PMID:28984835