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Sample records for investigations combined audio-vestibular

  1. Audio-vestibular disturbance in patients with Behçet's disease.

    PubMed

    Choung, Yun-Hoon; Cho, Min Jung; Park, Keehyun; Choi, Seong Jun; Shin, You Ree; Lee, Eun-So

    2006-11-01

    The present study prospectively investigated the frequencies and characteristics of audio-vestibular disturbance and the results of audiologic and vestibular function tests in patients with Behçet's disease. A prospective study. Seventeen patients with Behçet's disease (mean age 41.2 [30-56] years, 5 males and 12 females), as well as age- and sex-matched healthy controls, were included in this study. All subjects satisfied the diagnostic criteria of the International Study Group for Behçet's Disease. Information on the subjects was obtained through questionnaires. Tests, including those for hearing impairment, tinnitus, ear fullness, and dizziness, pure-tone audiometry, and vestibular function, were performed. Auditory symptoms were reported by 7 (41.2%) and dizziness by 14 (82.4%) of the subjects. Sensorineural hearing loss was present in four (23.5%) subjects. One was treated with a cochlear implantation because of bilateral sudden deafness. Spontaneous nystagmus was detected in two (11.8%) subjects. Abnormal findings were noted in 1 (5.9%) in saccadic movement, 5 (29.4%) in the bithermal caloric tests, and 10 (58.9%) in the rotation chair tests. In total, audiologic or vestibular disturbance were noted in 16 (94.1%) of the subjects. However, audio-vestibular abnormalities were not noted in the healthy controls. Audio-vestibular disturbance is not rare in Behçet's disease patients compared with healthy controls. We believe that audio-vestibular assessment and management may be helpful for the diagnosis and treatment of patients with Behçet's disease.

  2. Vertigo with sudden hearing loss: audio-vestibular characteristics.

    PubMed

    Pogson, Jacob M; Taylor, Rachael L; Young, Allison S; McGarvie, Leigh A; Flanagan, Sean; Halmagyi, G Michael; Welgampola, Miriam S

    2016-10-01

    Acute vertigo with sudden sensorineural hearing loss (SSNHL) is a rare clinical emergency. Here, we report the audio-vestibular test profiles of 27 subjects who presented with these symptoms. The vestibular test battery consisted of a three-dimensional video head impulse test (vHIT) of semicircular canal function and recording ocular and cervical vestibular-evoked myogenic potentials (oVEMP, cVEMP) to test otolith dysfunction. Unlike vestibular neuritis, where the horizontal and anterior canals with utricular function are more frequently impaired, 74 % of subjects with vertigo and SSNHL demonstrated impairment of the posterior canal gain (0.45 ± 0.20). Only 41 % showed impairment of the horizontal canal gains (0.78 ± 0.27) and 30 % of the anterior canal gains (0.79 ± 0.26), while 38 % of oVEMPs [asymmetry ratio (AR) = 41.0 ± 41.3 %] and 33 % of cVEMPs (AR = 47.3 ± 41.2 %) were significantly asymmetrical. Twenty-three subjects were diagnosed with labyrinthitis/labyrinthine infarction in the absence of evidence for an underlying pathology. Four subjects had a definitive diagnosis [Ramsay Hunt Syndrome, vestibular schwannoma, anterior inferior cerebellar artery (AICA) infarction, and traction injury]. Ischemia involving the common-cochlear or vestibulo-cochlear branches of the labyrinthine artery could be the simplest explanation for vertigo with SSNHL. Audio-vestibular tests did not provide easy separation between ischaemic and non-ischaemic causes of vertigo with SSNHL.

  3. Audio-vestibular function in human immunodeficiency virus infected patients in India.

    PubMed

    Mathews, Suma Susan; Albert, Rita Ruby; Job, Anand

    2012-07-01

    As the acquired immunodeficiency syndrome (AIDS) epidemic shows no signs of abating, the impact of AIDS is felt more in the developing countries due to socioeconomic reasons. The possibility of drug-induced ototoxicity also adds to the risk of audio vestibular dysfunction. We sought to determine if there was a difference between the audio-vestibular function in the asymptomatic human immunodeficiency virus (HIV) infected patients and patients with AIDS. A prospective, cross-sectional study A tertiary care center in South India The audio-vestibular system of 30 asymptomatic HIV positive subjects (group 1) and 30 subjects with AIDS (group 2), and age-matched 30 healthy controls (group 3) were assessed using pure tone audiometry and cold caloric test. Sixteen patients each, in group 1 and group 2 and four subjects in the control group were detected to have a hearing loss indicating significantly more HIV infected individuals (group 1 and 2) were having hearing loss (P=0.001). Kobrak's (modified) test showed 27% of patients in group 1 and 33% of patients in group 2 and none in the group 3 had a hypofunctioning labyrinth (P=0.001). It seems that the human immunodeficiency virus does affect the audio-vestibular pathway. There was a significant incidence of audio-vestibular dysfunction among the HIV infected patients, as compared to the control population (P=0.001) and no significant difference between the asymptomatic HIV seropositive patients and AIDS patients. Majority of the patients had no otological symptoms.

  4. Audio-vestibular signs and symptoms in Chiari malformation type i. Case series and literature review.

    PubMed

    Guerra Jiménez, Gloria; Mazón Gutiérrez, Ángel; Marco de Lucas, Enrique; Valle San Román, Natalia; Martín Laez, Rubén; Morales Angulo, Carmelo

    2015-01-01

    Chiari malformation is an alteration of the base of the skull with herniation through the foramen magnum of the brain stem and cerebellum. Although the most common presentation is occipital headache, the association of audio-vestibular symptoms is not rare. The aim of our study was to describe audio-vestibular signs and symptoms in Chiari malformation type i (CM-I). We performed a retrospective observational study of patients referred to our unit during the last 5 years. We also carried out a literature review of audio-vestibular signs and symptoms in this disease. There were 9 patients (2 males and 7 females), with an average age of 42.8 years. Five patients presented a Ménière-like syndrome; 2 cases, a recurrent vertigo with peripheral features; one patient showed a sudden hearing loss; and one case suffered a sensorineural hearing loss with early childhood onset. The most common audio-vestibular symptom indicated in the literature in patients with CM-I is unsteadiness (49%), followed by dizziness (18%), nystagmus (15%) and hearing loss (15%). Nystagmus is frequently horizontal (74%) or down-beating (18%). Other audio-vestibular signs and symptoms are tinnitus (11%), aural fullness (10%) and hyperacusis (1%). Occipital headache that increases with Valsalva manoeuvres and hand paresthesias are very suggestive symptoms. The appearance of audio-vestibular manifestations in CM-I makes it common to refer these patients to neurotologists. Unsteadiness, vertiginous syndromes and sensorineural hearing loss are frequent. Nystagmus, especially horizontal and down-beating, is not rare. It is important for neurotologists to familiarise themselves with CM-I symptoms to be able to consider it in differential diagnosis. Copyright © 2014 Elsevier España, S.L.U. y Sociedad Española de Otorrinolaringología y Patología Cérvico-Facial. All rights reserved.

  5. Analysis of audio-vestibular assessment in acute low-tone hearing loss.

    PubMed

    Im, Gi Jung; Kim, Sung Kyun; Choi, June; Song, Jae Jun; Chae, Sung Won; Jung, Hak Hyun

    2016-07-01

    Conclusion This study demonstrated excellent hearing recovery following the combined treatment of diuretic and oral steroid, and electrocochleography (ECoG) was significantly higher than normal side. This study reports characteristics of acute low-tone hearing loss (ALHL) that show the greater low-tone hearing loss, the higher ECoG, and excellent recovery, even-though low-tone hearing loss is worse, which can be different compared with sudden deafness. Objective To analyze ALHL without vertigo, this study compared the ALHL group with all patients exhibiting low-tone hearing loss and ear fullness. Hearing changes and vestibular functions were analyzed. Materials and methods ALHL was defined as a mean hearing loss of ≥ 30 dB at 125, 250, and 500 Hz, and ≤ 20 dB at 2, 4, and 8 kHz. From 156 cases of low-tone hearing loss of more than 10 dB without vertigo, 31 met the ALHL criteria and were subjected to audio-vestibular assessments including PTA, ECoG, vestibular evoked myogenic potential (VEMP) testing, and caloric testing. Results In ALHL, low-tone hearing loss was 42.7 ± 9.5 dB, and 83.9% of ALHL significantly recovered by more than 10 dB. The ECoG in ALHL was 0.334 ± 0.11 (higher than 0.25 ± 0.08 on the normal side) and ECoG abnormality was 35.5% (the greater low-tone hearing loss, the higher ECoG value).

  6. Computational investigation of rocket based combined cycle

    NASA Astrophysics Data System (ADS)

    Zhang, Xiao-bo; Wang, Zhan-xue; Liu, Zeng-wen

    2013-03-01

    Based on Computational Fluid Dynamic technology, the mixing process of Rocket Based Combined Cycle (RBCC) propulsion system is researched. The idea of RBCC propulsion system means combining rocket engine with ramjet engine effectively, which can flight from sea level to high altitude in wide Mach ranges. In order to analyze how the length of the mixing part affects mixing process, different length of mixing part are researched. As it is indicated, with a constant Mach number, increasing the length of mixing part makes main flow and second flow mix more evenly. Moreover, the length of mixing part has a slight impact on the thrust. Obviously the main consequence of increasing the length of mixing part is promoting the mix of main flow and second flow. Therefore, in order to decrease the weight of aircraft, it is of importance to reduce the length. Through comparing distribution of different cases, when working in the situation of maximum power, the flow in the nozzle of rocket engine is under expansion, while that in the nozzle is fully expanded. Nevertheless, in the case of high altitude and high Mach number, there exists a vortex in the nozzle of rocket engine because of over expansion; meanwhile, the flow in the nozzle is under expansion. Therefore, it is necessary to adjust nozzle throat area in order to increase the thrust of RBCC at high altitude.

  7. Investigation on high transmission efficiency 7 × 1 pump combiner

    NASA Astrophysics Data System (ADS)

    Cao, Yang; Shi, Wei; Sheng, Quan; Fu, Shijie; Zhang, Haiwei; Bai, Xiaolei; Qi, Liang; Yao, Jianquan

    2016-12-01

    The 7×1 end-pumped combiner employing 105/125 μm multimode fibers as pump fibers is investigated. The theoretical analysis reveals that sufficient taper length and low refractive index of the capillary should be adopted to fabricate high transmission efficiency combiners. Based on the simulation results, we fabricate a 7×1 end-pumped pump combiner with an average transmission efficiency of 98.9% and a total return loss of 1.1‰. The measured internal operating temperature of this combiner indicates it can endure pump power of the order of kilowatts.

  8. Investigations of Planet Formation with Combined Hydrodynamics and Radiative Transfer

    NASA Astrophysics Data System (ADS)

    Jang-Condell, Hannah; Kloster, D.

    2014-01-01

    Our aim is to investigate how the dynamics of protoplanetary disks are affected by environmental factors such as the presence of a planetary-mass object orbiting at the midplane and the radiation produced by the disk's host star. To accomplish this task we utilize the finite-volume numerical code PLUTO (Mignone, et al. 2007) to compute the evolution of the disk as a magnetohydrodynamics (MHD) simulation in 3D spherical coordinates, combined with a radiative transfer code (Jang-Condell 2008). At each iteration of the PLUTO simulation we will apply the radiative transfer code to the disk profile to model both processes simultaneously. The combined MHD and radiative transfer simulation will provide us with a much more accurate description of protoplanetary disk evolution than either isolated disk MHD or static disk radiative transfer models could individually.

  9. Atomic force microscopy combined with optical microscopy for cells investigation.

    PubMed

    Cascione, Mariafrancesca; de Matteis, Valeria; Rinaldi, Rosaria; Leporatti, Stefano

    2017-01-01

    This review reports on the combined use of the atomic force microscopy (AFM) and several type of optical/fluorescence/laser scanning microscopy for investigating cells. It is shown that the hybrid systems of AFM with optical-derived microscopies enable to study in detail cell surface properties (such as topography), their mechanical properties (e.g., Young's modulus) mechanotransduction phenomena and allow to gain insight into biological-related pathways and mechanisms in the complex nanoworld of cells. Microsc. Res. Tech. 80:109-123, 2017. © 2016 Wiley Periodicals, Inc.

  10. Combining historical and geomorphological information to investigate earthquake induced landslides

    NASA Astrophysics Data System (ADS)

    Cardinali, M.; Ferrari, G.; Galli, M.; Guidoboni, E.; Guzzetti, F.

    2003-04-01

    information on landslides triggered by the great 1915 January 13 Marsica (Central Italy) earthquake (Io = XI) mostly along the Liri River valley. Problems encountered in matching the recent historical information with the local geomorphological setting are discussed. A critical analysis of the four studied examples allows general considerations on the advantages and limitations of a combined historical and geomorphological approach to investigate past earthquake induced landslides. Lastly, a preliminary analysis of the relationship between the earthquake intensity and the distance of the known slope failures to the triggering earthquake epicentres is presented, for the four investigated areas and for the entire catalogue of historical earthquakes.

  11. Investigating combination HIV prevention: isolated interventions or complex system

    PubMed Central

    Brown, Graham; Reeders, Daniel; Dowsett, Gary W.; Ellard, Jeanne; Carman, Marina; Hendry, Natalie; Wallace, Jack

    2015-01-01

    Introduction Treatment as prevention has mobilized new opportunities in preventing HIV transmission and has led to bold new UNAIDS targets in testing, treatment coverage and transmission reduction. These will require not only an increase in investment but also a deeper understanding of the dynamics of combining behavioural, biomedical and structural HIV prevention interventions. High-income countries are making substantial investments in combination HIV prevention, but is this investment leading to a deeper understanding of how to combine interventions? The combining of interventions involves complexity, with many strategies interacting with non-linear and multiplying rather than additive effects. Discussion Drawing on a recent scoping study of the published research evidence in HIV prevention in high-income countries, this paper argues that there is a gap between the evidence currently available and the evidence needed to guide the achieving of these bold targets. The emphasis of HIV prevention intervention research continues to look at one intervention at a time in isolation from its interactions with other interventions, the community and the socio-political context of their implementation. To understand and evaluate the role of a combination of interventions, we need to understand not only what works, but in what circumstances, what role the parts need to play in their relationship with each other, when the combination needs to adapt and identify emergent effects of any resulting synergies. There is little development of evidence-based indicators on how interventions in combination should achieve that strategic advantage and synergy. This commentary discusses the implications of this ongoing situation for future research and the required investment in partnership. We suggest that systems science approaches, which are being increasingly applied in other areas of public health, could provide an expanded vocabulary and analytic tools for understanding these

  12. Investigation of gasification chemical looping combustion combined cycle performance

    SciTech Connect

    Wenguo Xiang; Sha Wang; Tengteng Di

    2008-03-15

    A novel combined cycle based on coal gasification and chemical looping combustion (CLC) offers a possibility of both high net power efficiency and separation of the greenhouse gas CO{sub 2}. The technique involves the use of a metal oxide as an oxygen carrier, which transfers oxygen from the combustion air to the fuel, and the avoidance of direct contact between fuel and combustion air. The fuel gas is oxidized by an oxygen carrier, an oxygen-containing compound, in the fuel reactor. The oxygen carrier in this study is NiO. The reduced oxygen carrier, Ni, in the fuel reactor is regenerated by the air in the air reactor. In this way, fuel and air are never mixed, and the fuel oxidation products CO{sub 2} and water vapor leave the system undiluted by air. All that is needed to get an almost pure CO{sub 2} product is to condense the water vapor and to remove the liquid water. When the technique is combined with gas turbine and heat recovery steam generation technology, a new type of combined cycle is formed which gives a possibility of obtaining high net power efficiency and CO{sub 2} separation. The performance of the combined cycle is simulated using the ASPEN software tool in this paper. The influence of the water/coal ratio on the gasification and the influence of the CLC process parameters such as the air reactor temperature, the turbine inlet supplementary firing, and the pressure ratio of the compressor on the system performance are discussed. Results show that, assuming an air reactor temperature of 1200{sup o}C, a gasification temperature of 1100 {sup o}C, and a turbine inlet temperature after supplementary firing of 1350{sup o}C, the system has the potential to achieve a thermal efficiency of 44.4% (low heating value), and the CO{sub 2} emission is 70.1 g/(kW h), 90.1% of the CO{sub 2} captured. 22 refs., 7 figs., 6 tabs.

  13. Deconstructing the ONIOM Hessian: Investigating Method Combinations for Transition Structures.

    PubMed

    Vreven, Thom; Thompson, Lee M; Larkin, Susan M; Kirker, Ian; Bearpark, Michael J

    2012-12-11

    Developments in biochemistry and materials sciences have led to increasing interest in the reactivity of large chemical systems, presenting theoretical and computational challenges that can be addressed with hybrid methods such as ONIOM. Here, we show that the diagonalized ONIOM Hessian can be partitioned/deconstructed into contributions from the individual subcalculations-indicating the curvature of their potential energy surfaces (PESs)-without increasing the computational cost. The resulting pseudofrequencies have particular application in the study of transition structures and higher-order saddle points with ONIOM, where we find that an imaginary frequency may result from combining subcalculations for which the corresponding vibrational frequencies are all real. Two cycloaddition reactions, including functionalization of a 150 atom (5,5) single-walled carbon nanotube, demonstrate how this analysis of pseudofrequencies allows identification of critical points where further exploratory work should be carried out to ensure that the ONIOM PES correctly approximates the target.

  14. Combined Experimental and Numerical Investigations into Laser Propulsion Engineering Physics

    NASA Astrophysics Data System (ADS)

    Kenoyer, David Adam

    The RPI pulsed Laser Propulsion (LP) research effort focuses on the future application of launching nano- and micro-satellites (1-10 kg payloads) into Low Earth Orbit (LEO), using a remote Ground Based Laser (GBL) power station to supply the required energy for flight. This research program includes both experimental and numerical studies investigating the propulsive performance of several engine geometries (constituting a lightcraft family). Using the Lumonics twin K-922m TEA pulsed laser system, axial and lateral thrust, C m, Isp, and η measurements were made for these engine geometries, examining the effects of several critical factors including: engine orientation (e.g. lateral and angular offset), laser pulse energy, pulse repetition frequency, pulse duration, propellant type, and engine size-scaling effects. Investigation into the origins of lateral "beam riding" forces was of particular interest. Lateral impulse measurements and high speed Schlieren photography were utilized to provide an understanding of laser beam-riding/propulsive physics. The acquired lightcraft database was used to further develop an existing 7-Degree Of Freedom (DOF) flight dynamics model extensively calibrated against 16 actual trajectories of small scale model lightcraft flown at White Sands Missile Range, NM on a 10 kW pulsed CO2 laser called PLVTS. The full system 7-DOF model is comprised of updated individual aerodynamics, engine, laser beam propagation, variable vehicle inertia, reaction controls system, and dynamics models, integrated to represent all major phenomena in a consistent framework. This flight dynamics model and associated 7-DOF code provide a physics-based predictive tool for basic research investigations into laser launched lightcraft for suborbital and orbital missions. Simulations were performed to demonstrate the flight capabilities of each engine geometry using the updated lightcraft propulsion database, the results of which further demonstrate that autonomous

  15. Combine experimental and theoretical investigation on an alkaloid-Dimethylisoborreverine

    NASA Astrophysics Data System (ADS)

    Singh, Swapnil; Singh, Harshita; Karthick, T.; Agarwal, Parag; Erande, Rohan D.; Dethe, Dattatraya H.; Tandon, Poonam

    2016-01-01

    A combined experimental (FT-IR, 1H and 13C NMR) and theoretical approach is used to study the structure and properties of antimalarial drug dimethylisoborreverine (DMIB). Conformational analysis, has been performed by plotting one dimensional potential energy curve that was computed using density functional theory (DFT) with B3LYP/6-31G method and predicted conformer A1 as the most stable conformer. After full geometry optimization, harmonic wavenumbers were computed for conformer A1 at the DFT/B3LYP/6-311++G(d,P) level. A complete vibrational assignment of all the vibrational modes have been performed on the bases of the potential energy distribution (PED) and theoretical results were found to be in good agreement with the observed data. To predict the solvent effect, the UV-Vis spectra were calculated in different solvents by polarizable continuum model using TD-DFT method. Molecular docking studies were performed to test the biological activity of the sample using SWISSDOCK web server and Hex 8.0.0 software. The molecular electrostatic potential (MESP) was plotted to identify the reactive sites of the molecule. Natural bond orbital (NBO) analysis was performed to get a deep insight of intramolecular charge transfer. Thermodynamical parameters were calculated to predict the direction of chemical reaction.

  16. Tautomerism of Warfarin: Combined Chemoinformatics, Quantum Chemical, and NMR Investigation.

    PubMed

    Guasch, Laura; Peach, Megan L; Nicklaus, Marc C

    2015-10-16

    Warfarin, an important anticoagulant drug, can exist in solution in 40 distinct tautomeric forms through both prototropic tautomerism and ring-chain tautomerism. We have investigated all warfarin tautomers with computational and NMR approaches. Relative energies calculated at the B3LYP/6-311G++(d,p) level of theory indicate that the 4-hydroxycoumarin cyclic hemiketal tautomer is the most stable tautomer in aqueous solution, followed by the 4-hydroxycoumarin open-chain tautomer. This is in agreement with our NMR experiments where the spectral assignments indicate that warfarin exists mainly as a mixture of cyclic hemiketal diastereomers, with an open-chain tautomer as a minor component. We present a diagram of the interconversion of warfarin created taking into account the calculated equilibrium constants (pK(T)) for all tautomeric reactions. These findings help with gaining further understanding of proton transfer and ring closure tautomerization processes. We also discuss the results in the context of chemoinformatics rules for handling tautomerism.

  17. A Combined Experimental/Computational Investigation of a Rocket Based Combined Cycle Inlet

    NASA Technical Reports Server (NTRS)

    Smart, Michael K.; Trexler, Carl A.; Goldman, Allen L.

    2001-01-01

    A rocket based combined cycle inlet geometry has undergone wind tunnel testing and computational analysis with Mach 4 flow at the inlet face. Performance parameters obtained from the wind tunnel tests were the mass capture, the maximum back-pressure, and the self-starting characteristics of the inlet. The CFD analysis supplied a confirmation of the mass capture, the inlet efficiency and the details of the flowfield structure. Physical parameters varied during the test program were cowl geometry, cowl position, body-side bleed magnitude and ingested boundary layer thickness. An optimum configuration was determined for the inlet as a result of this work.

  18. An investigation of the performance of novel chorded keyboards in combination with pointing input devices.

    PubMed

    Shi, Wen-Zhou; Wu, Fong-Gong

    2015-01-01

    Rapid advances in computing power have driven the development of smaller and lighter technology products, with novel input devices constantly being produced in response to new user behaviors and usage contexts. The aim of this research was to investigate the feasibility of operating chorded keyboard control modules in concert with pointing devices such as styluses and mice. We compared combinations of two novel chorded keyboards with different pointing devices in hopes of finding a better combination for future electronic products. Twelve participants were recruited for simulation testing, and paired sample t testing was conducted to determine whether input and error rates for the novel keyboards were improved significantly over those of traditional input methods. The most efficient input device combination tested was the combination of a novel cross-shaped key keyboard and a stylus, suggesting the high potential for use of this combination with future mobile IT products.

  19. Investigating Aerobic, Anaerobic Combine Technical Trainings' Effects on Performance in Tennis Players

    ERIC Educational Resources Information Center

    Suna, Gürhan; Kumartasli, Mehmet

    2017-01-01

    The aim of this study is to investigate eight-week aerobic, anaerobic combine technical trainings' effects on developments of performance. 21 athletes of tennis proficiency students from Sports Sciences Department were joined to the study voluntarily. Participated in the research athletes' ages' mean was 22,2 ± 0,3 year, lengths' mean was 177,3 ±…

  20. Investigation of the strength of H440 graphite when subjected to combined primary and secondary stress

    SciTech Connect

    Anderson, C.A.; Fly, G.W.; Lundberg, L.B.; Romero, J.A.

    1986-04-01

    An experimental and analytical investigation of the strength of a fine-grained graphite, H440, under combined mechanical and thermal stress is described. Small sample laboratory tests were carried out to establish a mechanical property data base from which statistical parameters could be determined and then used in finite element codes for predicting failure probabilities of large graphite structural components under load. The theory was applied to graphite rings under an imposed thermal stress from a heat flux applied to the inner surface of the rings and under mechhanical stress caused by diametrically opposed concentrated loads applied to the outer surface of the rings. Rings of H440 graphite were fabricated in two sizes and tested to the combined thermal and mechanical loadings. From the results of theory and the experiments, a design rule for combining mechanical and thermal stress in graphite structural components is proposed.

  1. Combining clinical studies and analogue experiments to investigate cognitive mechanisms in posttraumatic stress disorder

    PubMed Central

    Ehring, Thomas; Kleim, Birgit; Ehlers, Anke

    2013-01-01

    Research into cognitive mechanisms in posttraumatic stress disorder (PTSD) typically comprises two types of studies. The first group of studies is conducted with survivors of traumatic events and assesses the association between PTSD and cognitive variables with questionnaires and/or information processing paradigms. In the second group of studies, healthy non-traumatized individuals are exposed to an analogue stressor (e.g., a stressful film) and cognitive variables of interest are usually experimentally manipulated to investigate their effects on analogue PTSD symptoms. This review illustrates how studies of trauma survivors and analogue studies with non-traumatized populations can be usefully combined. Two examples for this approach are presented: (1) research into the role of perceptual priming for trauma-related stimuli and (2) research into trauma-related rumination. The advantages and limitations of both types of studies are discussed and it is argued that a combination of both approaches is needed to investigate cognitive mechanisms in PTSD. PMID:23814633

  2. Investigating the Group-Level Impact of Advanced Dual-Echo fMRI Combinations

    PubMed Central

    Kettinger, Ádám; Hill, Christopher; Vidnyánszky, Zoltán; Windischberger, Christian; Nagy, Zoltán

    2016-01-01

    Multi-echo fMRI data acquisition has been widely investigated and suggested to optimize sensitivity for detecting the BOLD signal. Several methods have also been proposed for the combination of data with different echo times. The aim of the present study was to investigate whether these advanced echo combination methods provide advantages over the simple averaging of echoes when state-of-the-art group-level random-effect analyses are performed. Both resting-state and task-based dual-echo fMRI data were collected from 27 healthy adult individuals (14 male, mean age = 25.75 years) using standard echo-planar acquisition methods at 3T. Both resting-state and task-based data were subjected to a standard image pre-processing pipeline. Subsequently the two echoes were combined as a weighted average, using four different strategies for calculating the weights: (1) simple arithmetic averaging, (2) BOLD sensitivity weighting, (3) temporal-signal-to-noise ratio weighting and (4) temporal BOLD sensitivity weighting. Our results clearly show that the simple averaging of data with the different echoes is sufficient. Advanced echo combination methods may provide advantages on a single-subject level but when considering random-effects group level statistics they provide no benefit regarding sensitivity (i.e., group-level t-values) compared to the simple echo-averaging approach. One possible reason for the lack of clear advantages may be that apart from increasing the average BOLD sensitivity at the single-subject level, the advanced weighted averaging methods also inflate the inter-subject variance. As the echo combination methods provide very similar results, the recommendation is to choose between them depending on the availability of time for collecting additional resting-state data or whether subject-level or group-level analyses are planned. PMID:28018165

  3. Investigation of developmental toxicity and teratogenicity of cyclosporine A, tacrolimus and their combinations with prednisolone.

    PubMed

    Unver Dogan, Nadire; Uysal, Ismihan Ilknur; Fazliogullari, Zeliha; Karabulut, Ahmet Kagan; Acar, Hasan

    2016-06-01

    In this study, it was aimed to investigate the toxic and teratogenic effects of cyclosporine A and tacrolimus and their combinations with prednisolone using an in vitro rat embryo culture technique. Cyclosporine A (4-40 μg/ml), tacrolimus (1-20 μg/ml) and combinations of these drugs with prednisolone (20 μg/ml) at different concentrations were tested. Cyclosporine A and its combination with prednisolone were determined to have toxic effects on embryonic growth after 10 μg/ml. When used alone, the lowest dose of tacrolimus had embryotoxic effects on the total morphological score and number of somites. It was determined that cyclosporine A caused hematoma at 4 μg/ml and higher doses, and tacrolimus especially at 20 μg/ml caused an open neural tube beside hematoma. It was observed that cyclosporine A at 40 μg/ml dose initiated apoptotic effects at a very low rate, prednisolone increased this effect, tacrolimus led to excessive apoptosis after 15 μg/ml, and this effect did not change with prednisolone supplement. We are of the opinion that the doses should be determined carefully when cyclosporine A and tacrolimus are required to be administered to pregnant women with prednisolone combination, as prednisolone increases the toxic effects of cyclosporine A, and increases teratogenic effects of tacrolimus. Copyright © 2016 Elsevier Inc. All rights reserved.

  4. Investigation on the influence of spectral linewidth broadening on beam quality in spectral beam combination

    NASA Astrophysics Data System (ADS)

    Tian, Fei; Yan, Hong; Chen, Li; Ye, Yidong; Li, Jianmin; Luo, Jia; Lu, Fei

    2015-02-01

    Spectral beam combination (SBC) is a promising method to combine multiple fiber outputs for further power scaling with the capability of maintaining high beam quality, but the beam quality will be degraded with spectral linewidth broadening, because it could result in additional angular spread in the output beam. In this paper, we described theoretical calculation as well as experimental investigation on the influence of spectral linewidth broadening on beam quality. The results show that in single SBC system the spectral linewidth should be limited to less than a few GHz in order to avoid beam quality degradation, but the linewidth requirement could be decreased to more than hundreds of GHz using a pair of parallel gratings, which reveals a feasible way to increase the stimulated Brillouin scattering (SBS)-free power output of single fiber laser for overall output scaling and high beam quality.

  5. Investigation of transient ignition process in a cavity based scramjet combustor using combined ethylene injectors

    NASA Astrophysics Data System (ADS)

    Liu, Xiao; Cai, Zun; Tong, Yiheng; Zheng, Hongtao

    2017-08-01

    Large Eddy Simulation (LES) and experiment were employed to investigate the transient ignition and flame propagation process in a rearwall-expansion cavity scramjet combustor using combined fuel injection schemes. The compressible supersonic solver and three ethylene combustion mechanisms were first validated against experimental data and results show in reasonably good agreement. Fuel injection scheme combining transverse and direct injectors in the cavity provides a benefit mixture distribution and could achieve a successful ignition. Four stages are illustrated in detail from both experiment and LES. After forced ignition in the cavity, initial flame kernel propagates upstream towards the cavity front edge and ignites the mixture, which acts as a continuous pilot flame, and then propagates downstream along the cavity shear layer rapidly to the combustor exit. Cavity shear layer flame stabilization mode can be concluded from the heat release rate and local high temperature distribution during the combustion process.

  6. Design and Performance Investigation for the Optical Combinational Networks at High Data Rate

    NASA Astrophysics Data System (ADS)

    Tripathi, Devendra Kr.

    2017-05-01

    This article explores performance study for optical combinational designs based on nonlinear characteristics with semiconductor optical amplifier (SOA). Two configurations for optical half-adder with non-return-to-zero modulation pattern altogether with Mach-Zehnder modulator, interferometer at 50-Gbps data rate have been successfully realized. Accordingly, SUM and CARRY outputs have been concurrently executed and verified for their output waveforms. Numerical simulations for variation of data rate and key design parameters have been effectively executed outcome with optimum performance. Investigations depict overall good performance of the design in terms of the extinction factor. It also inferred that all-optical realization based on SOA is competent scheme, as it circumvents costly optoelectronic translation. This could be well supportive to erect larger complex optical combinational circuits.

  7. Action of combined magnetic fields on aqueous solution of glutamic acid: the further development of investigations.

    PubMed

    Giuliani, Livio; Grimaldi, Settimio; Lisi, Antonella; D'Emilia, Enrico; Bobkova, Natalia; Zhadin, Mikhail

    2008-01-25

    In the present work the results of the known investigation of the influence of combined static (40 microT) and alternating (amplitude of 40 nT) parallel magnetic fields on the current through the aqueous solution of glutamic acid, were successfully replicated. Fourteen experiments were carried out by the application of the combined magnetic fields to the solution placed into a Plexiglas reaction vessel at application of static voltage to golden electrodes placed into the solution. Six experiments were carried out by the application of the combined magnetic fields to the solution placed in a Plexiglas reaction vessel, without electrodes, within an electric field, generated by means of a capacitor at the voltage of 27 mV. The frequency of the alternating field was scanned within the bounds of 1.0 Hz including the cyclotron frequency corresponding to a glutamic acid ion and to the applied static magnetic field. In this study the prominent peaks with half-width of approximately 0.5 Hz and with different heights (till 80 nA) were registered at the alternating magnetic field frequency equal to the cyclotron frequency (4.2 Hz). The general reproducibility of the investigated effects was 70% among the all solutions studied by us and they arose usually after 40-60 min. after preparation of the solution. In some made-up solutions the appearance of instability in the registered current was noted in 30-45 min after the solution preparation. This instability endured for 20-40 min. At the end of such instability period the effects of combined fields action appeared practically every time. The possible mechanisms of revealed effects were discussed on the basis of modern quantum electrodynamics.

  8. Thermal insulation and SIDS-an investigation of selected 'Eastern' and 'Western' infant bedding combinations.

    PubMed

    Wilson, C A; Chu, M S

    2005-08-01

    Differences in the incidence of SIDS between 'Western' and 'Eastern' countries has been attributed to cultural practices, which may affect the infants care and thermal environment. The purpose of this work was to estimate for selected 'commonly' used bedding, sleep positions and practices in Japan, Korea and New Zealand, the intrinsic 'dry' thermal resistance of bedding. Insulation levels are also discussed in the context of published information about the thermal environment in which the bedding is likely to be used. Selected Japanese, Korean and New Zealand bedding was loosely tucked over an infant manikin in the lateral, prone and supine sleep positions. Thickness in use was measured, and intrinsic 'dry' thermal resistance estimated using the Wilson Laing model which accommodates the effect on insulation of the three-dimensional arrangement of bedding combinations during use. Thickness of under- and upper-bedding varied among countries with thickness and estimated 'dry' thermal resistance of the upper-bedding affected by the type/combination of bedding and the infants sleep position. Insulation levels are discussed in relation to environmental conditions within and among countries and between seasons. Further information on thermal environments, bedding combinations used and care practices within both Asian and Western countries is needed. 'Eastern' infants appear likely to be generally covered in bedding combinations of greater insulation than those used to cover 'Western' infants in comparable seasons. Differences existed between insulation of the Japanese and Korean bedding combinations investigated. Lower rates of SIDS apparent in 'Asian' populations do not appear attributable to use of lower levels of bedding insulation only.

  9. Investigation of Formulation and Process of Lyophilised Orally Disintegrating Tablet (ODT) Using Novel Amino Acid Combination

    PubMed Central

    AlHusban, Farhan; ElShaer, Amr M.; Kansara, Jiteen H.; Smith, Alan M.; Grover, Liam M.; Perrie, Yvonne; Mohammed, Afzal R.

    2010-01-01

    Lyophilised orally disintegrating tablets (ODTs) have achieved a great success in overcoming dysphagia associated with conventional solid dosage forms. However, the extensive use of saccharides within the formulation limits their use in treatment of chronic illnesses. The current study demonstrates the feasibility of using combination of proline and serine to formulate zero sacharide ODTs and investigates the effect of freezing protocol on sublimation rate and tablets characteristics. The results showed that inclusion of proline and serine improved ODT properties when compared to individual counterparts. Additionally, annealing the ODTs facilitated the sublimation process and shortened the disintegration time. PMID:27721339

  10. Combining discriminative SVM models for the improved recognition of investigator names in medical articles

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaoli; Zou, Jie; Le, Daniel X.; Thoma, George R.

    2013-01-01

    Investigators are people who are listed as members of corporate organizations but not entered as authors in an article. Beginning with journals published in 2008, investigator names are required to be included in a new bibliographic field in MEDLINE citations. Automatic extraction of investigator names is necessary due to the increase in collaborative biomedical research and consequently the large number of such names. We implemented two discriminative SVM models, i.e., SVM and structural SVM, to identify named entities such as the first and last names of investigators from online medical journal articles. Both approaches achieve good performance at the word and name chunk levels. We further conducted an error analysis and found that SVM and structural SVM can offer complementary information about the patterns to be classified. Hence, we combined the two independently trained classifiers where the SVM is chosen as a base learner with its outputs enhanced by the predictions from the structural SVM. The overall performance especially the recall rate of investigator name retrieval exceeds that of the standalone SVM model.

  11. Experimental investigation on water treatment by the combined nano MgO-nanofiltration technique.

    PubMed

    Zhang, Keqiang; An, Yi; Wang, Feng; Lin, Lingling; Guo, Haigang

    2011-01-01

    A combined system using nano MgO and nanofiltration (NF) membrane was established to purify polluted water in this experiment. The turbidity, permanganate index, UVA254, colony counts and the concentrations of NO3-, NO2-, NH4+, Fe, Mn and Mg of the effluents from each unit of this combined system were measured to investigate the pollutant removal of this system. Based on the results obtained, the combined nano MgO-NF system could efficiently remove many kinds of pollutants in this experiment, including organic matter, nitrogen species, heavy metals, suspended solids and bacteria. And the effluents could meet the standard of drinking water. Furthermore, increasing the nano MgO dosage could not elevate the removal ratio of the pollutants, but only increase the Mg content of the effluent. Thus, 0.05 g L(-1) of nano MgO may be a suitable dosage for 2,000 L of polluted water treatment. Also, the operating pressure of NF membrane had no significant effect on pollutant removal when the operating pressure of NF membrane was increased from 0.3 to 0.9 MPa.

  12. Experimental investigation on discharge coefficient for a combined broad crested weir-box culvert structure

    NASA Astrophysics Data System (ADS)

    Guven, A.; Hassan, M.; Sabir, Shahin

    2013-09-01

    This study investigates the hydraulic characteristics of simultaneous flow over broad crested weir and through box (square) culverts experimentally. The variation of discharge coefficient (Cd) of the combined structure with various affective parameters such as upstream head, length of culvert, culvert inlet shape, culvert internal dimension, weir crest height, weir side slope angle, and weir width was analyzed. For this purpose 12 glass models of combined broad crested weirs and box culverts were manufactured and tested in a laboratory flume of 12 m. Discharge coefficient predicting equations were developed as a function of the dimensionless terms. The overall results showed that Cd increases as the ratio of the total head of water above the weir crest to the height of the weir crest H/P increases for all the models and for each flow state (weir and combined). Cd values increased as the head increased for all the models tested as culvert flow only, and also with decreasing of the angle between crest of the weir with the sides.

  13. Investigating preferences for color-shape combinations with gaze driven optimization method based on evolutionary algorithms

    PubMed Central

    Holmes, Tim; Zanker, Johannes M.

    2013-01-01

    Studying aesthetic preference is notoriously difficult because it targets individual experience. Eye movements provide a rich source of behavioral measures that directly reflect subjective choice. To determine individual preferences for simple composition rules we here use fixation duration as the fitness measure in a Gaze Driven Evolutionary Algorithm (GDEA), which has been demonstrated as a tool to identify aesthetic preferences (Holmes and Zanker, 2012). In the present study, the GDEA was used to investigate the preferred combination of color and shape which have been promoted in the Bauhaus arts school. We used the same three shapes (square, circle, triangle) used by Kandinsky (1923), with the three color palette from the original experiment (A), an extended seven color palette (B), and eight different shape orientation (C). Participants were instructed to look for their preferred circle, triangle or square in displays with eight stimuli of different shapes, colors and rotations, in an attempt to test for a strong preference for red squares, yellow triangles and blue circles in such an unbiased experimental design and with an extended set of possible combinations. We Tested six participants extensively on the different conditions and found consistent preferences for color-shape combinations for individuals, but little evidence at the group level for clear color/shape preference consistent with Kandinsky's claims, apart from some weak link between yellow and triangles. Our findings suggest substantial inter-individual differences in the presence of stable individual associations of color and shapes, but also that these associations are robust within a single individual. These individual differences go some way toward challenging the claims of the universal preference for color/shape combinations proposed by Kandinsky, but also indicate that a much larger sample size would be needed to confidently reject that hypothesis. Moreover, these experiments highlight the

  14. Investigating preferences for color-shape combinations with gaze driven optimization method based on evolutionary algorithms.

    PubMed

    Holmes, Tim; Zanker, Johannes M

    2013-01-01

    Studying aesthetic preference is notoriously difficult because it targets individual experience. Eye movements provide a rich source of behavioral measures that directly reflect subjective choice. To determine individual preferences for simple composition rules we here use fixation duration as the fitness measure in a Gaze Driven Evolutionary Algorithm (GDEA), which has been demonstrated as a tool to identify aesthetic preferences (Holmes and Zanker, 2012). In the present study, the GDEA was used to investigate the preferred combination of color and shape which have been promoted in the Bauhaus arts school. We used the same three shapes (square, circle, triangle) used by Kandinsky (1923), with the three color palette from the original experiment (A), an extended seven color palette (B), and eight different shape orientation (C). Participants were instructed to look for their preferred circle, triangle or square in displays with eight stimuli of different shapes, colors and rotations, in an attempt to test for a strong preference for red squares, yellow triangles and blue circles in such an unbiased experimental design and with an extended set of possible combinations. We Tested six participants extensively on the different conditions and found consistent preferences for color-shape combinations for individuals, but little evidence at the group level for clear color/shape preference consistent with Kandinsky's claims, apart from some weak link between yellow and triangles. Our findings suggest substantial inter-individual differences in the presence of stable individual associations of color and shapes, but also that these associations are robust within a single individual. These individual differences go some way toward challenging the claims of the universal preference for color/shape combinations proposed by Kandinsky, but also indicate that a much larger sample size would be needed to confidently reject that hypothesis. Moreover, these experiments highlight the

  15. The relationship between urban combined traffic noise and annoyance: an investigation in Dalian, north of China.

    PubMed

    Di, Guoqing; Liu, Xiaoyi; Lin, Qili; Zheng, Yue; He, Lingjiao

    2012-08-15

    Several residential areas in Dalian, north of China, were selected to investigate the influence of combined traffic noise pollution on urban residents. The software Cadna/A was used to estimate the day-night equivalent noise level (L(dn)) at 1m from the windows of each building, which were modified according to the actual data. Annoyance has been identified as the most important psychological impact of noise. A face-to-face survey on annoyance was carried out among 1536 local residents between the ages of 15 and 75 years. In this study, the relationship between the percentage of "highly annoyed" persons (%HA) and L(dn) was determined. The L(dn) was measured and identified as railway dominant noise, road traffic dominant noise or road-rail combined traffic noise. We find that when L(dn)>63.5 dB, the %HA due to the road-rail combined traffic noise was significantly higher than that due to the one dominant noise source with the same L(dn). Thus, it is suggested that the planning permission buildings whose L(dn) of road-rail combined traffic noise exceeds 63.5-dB be reviewed more strictly. The relationships between %HA induced by different traffic noise and the distance to transportation artery (s) were analyzed. The results showed that as the distance to transportation artery increased, the %HA due to different traffic noise gradually decreased. Furthermore, the %HA due to the road traffic dominant noise at close range (1 m≤s≤50 m) was lower than that at a more remote location (51 m≤s≤100 m), which might be ascribed to the greater tolerance of the noise by the residents.

  16. Combined experimental and numerical investigation of a transonic space launcher wake

    NASA Astrophysics Data System (ADS)

    Scharnowski, S.; Statnikov, V.; Meinke, M.; Schröder, W.; Kähler, C. J.

    2015-06-01

    Combined experimental und numerical investigations of the turbulent wake of a generic space launcher at transonic free stream conditions (Ma∞ = 0.7 and ReD = 1.0 · 106) are performed to gain a better understanding of intricate phenomena of the wake flow physics and to validate new methods for its analysis. The experiments are conducted at the Bundeswehr University Munich using a high-repetition-rate particle image velocimetry (PIV) system, while the numerical investigation is performed by the Institute of Aerodynamics of RWTH Aachen University using a zonal Reynolds-averaged Navier-Stokes (RANS) / large-eddy simulation (LES) approach. After a characterization of the wake flow topology, two applied methodologies are compared to each other with respect to the spatial and temporal resolution stressing their strengths and shortcomings. It is shown that both methods are well suitable for the prediction of the mean and instantaneous values of the turbulent velocity field, whereas for a reliable statistical analysis of the velocity fluctuations, the PIV approach is more appropriate due to the computational time limitations of the LES. On the other hand, the high spatial and temporal resolution of the LES allows for an accurate detection of relevant coherent structures as well as tracking their motion in time without any significant artificial vortex agglomeration that can be critical in the case of PIV. Furthermore, the influence of different model assumptions, e. g., the level of incoming turbulence and model vibrations, is discussed in order to emphasize the importance of a side-by-side combination of both investigation techniques.

  17. Combined geophysical investigation for the detection of ancient metallurgical installations near Keratea City, Greece

    NASA Astrophysics Data System (ADS)

    Apostolopoulos, George V.

    2014-05-01

    Archaeological excavation in an area of Lavrio (mining area from ancient times) has revealed ancient metallurgical installations which offer valuable information on this activity at those times. Within this context, a combined geophysical investigation was carried out in a place near Keratea City to find out whether there are additional installations apart from those that have already been revealed in the immediate area. More importantly, the objective was to locate the ancient tanks which provided water to the installations. Archaeological and geological information have helped in the design of the survey. EMI method measuring apparent conductivity was used to cover the whole area of investigation. Conductivity maps in various investigation depths have positioned the tanks and stacked first derivative maps in two directions (the two directions of the revealed walls) show covered walls. The EMI survey has indicated the position of three (3) ERT profiles made with the dipole-dipole array, which presented the ancient tanks with great detail in depth. GPR profiles for the detection of walls were noisy with the coarse material surface layer but the interrelation with ERT and EMI results confirmed the detected features.

  18. Investigation of combined S02/N0x Removal by Ceria Sorbents

    SciTech Connect

    Ates Akyurtlu; Jale F. Akyurtlu

    1996-11-01

    This final report describes the work done under the sponsorship of the U.S. DOE for the support of advanced fossil resource utilization research at historically black colleges and universities, Grant No. DE-Ps22-92MT920 on "Investigation of Combined S02/NOx Removal by Ceria Sorbents". The work was conducted at the Department of Chemical Engineering of Hampton University. The industrial partner was Malcolm Pirnie,Inc. Environmental Engineers, Scientists and Planners, who handled the metal analysis and XRD measurements on the solid sorbents; they have also supplied the flyash used in the experimental program. The development of a commercial process concept, economic analysis, and evaluation of process alternatives were undertaken by TECOGEN of Waltham, MA.

  19. Laboratory Investigation of Combined Wave and Current Bottom Boundary Layer Flows on a Planar Beach

    NASA Astrophysics Data System (ADS)

    Styles, R.; Bryant, D. B.

    2016-02-01

    Modeling combined wave and current flows in shallow water systems present several challenges. Shoaling waves propagate at oblique angles to the shoreline and the underlying bed contours. Long-shore currents generated by waves and other processes such as wind or tides advect the wave driven transport in the down drift direction. The nearshore region is characterized by waves propagating at high angles to the current over variable topography, which presents unique challenges in describing momentum flux and sediment transport not associated with flatbed conditions. The Large-Scale Sediment Transport Facility (LSTF), operated by the U. S. Army Corps of Engineer's Coastal and Hydraulics Laboratory, is designed to investigate surf zone and near-shore sediment transport processes in combined flows. The 30 m x 50 m basin includes an offshore wave maker and a recirculating system to produce long-shore currents. Recent laboratory work was conducted to examine the wave/current boundary layer using a suite of cross-shore ADVs, wave gauges and a Nortek Vectrino to measure vertical profiles (mm scale) within the wave boundary layer. Comparisons to existing bottom boundary layer models under a variety of wave and current conditions show good agreement within the turbulent boundary layer but diverge in the near-bed viscous region. Model accuracy in the context of waves and currents at high angles and variable intensity will be discussed.

  20. Exploring brainstem function in multiple sclerosis by combining brainstem reflexes, evoked potentials, clinical and MRI investigations.

    PubMed

    Magnano, Immacolata; Pes, Giovanni Mario; Pilurzi, Giovanna; Cabboi, Maria Paola; Ginatempo, Francesca; Giaconi, Elena; Tolu, Eusebio; Achene, Antonio; Salis, Antonio; Rothwell, John C; Conti, Maurizio; Deriu, Franca

    2014-11-01

    To investigate vestibulo-masseteric (VMR), acoustic-masseteric (AMR), vestibulo-collic (VCR) and trigemino-collic (TCR) reflexes in patients with multiple sclerosis (MS); to relate abnormalities of brainstem reflexes (BSRs) to multimodal evoked potentials (EPs), clinical and Magnetic Resonance Imaging (MRI) findings. Click-evoked VMR, AMR and VCR were recorded from active masseter and sternocleidomastoid muscles, respectively; TCR was recorded from active sternocleidomastoid muscles, following electrical stimulation of the infraorbital nerve. EPs and MRI were performed with standard techniques. Frequencies of abnormal BSRs were: VMR 62.1%, AMR 55.1%, VCR 25.9%, TCR 58.6%. Brainstem dysfunction was identified by these tests, combined into a four-reflex battery, in 86.9% of cases, by EPs in 82.7%, MRI in 71.7% and clinical examination in 37.7% of cases. The sensitivity of paired BSRs/EPs (93.3%) was significantly higher than combined MRI/clinical testing (70%) in patients with disease duration ⩽6.4years. BSR alterations significantly correlated with clinical, EP and MRI findings. The four-BSR battery effectively increases the performance of standard EPs in early detection of brainstem impairment, otherwise undetected by clinical examination and neuroimaging. Multiple BSR assessment usefully supplements conventional testing and monitoring of brainstem function in MS, especially in newly diagnosed patients. Copyright © 2014 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

  1. Antibacterial Investigation of Thyme Essential Oil and Its Main Constituents in Combination with Tetracycline.

    PubMed

    Miladinović, Dragoljub L; Ilić, Budimir S; Kocić, Branislava D; Ćirić, Vojislav M; Nikolić, Dejan M

    2015-08-01

    The chemical composition and antibacterial activity of Thymus glabrescens Willd. (thyme) essential oil were examined, as well as its association with tetracycline. The antibacterial activities of geraniol and thymol, the main constituents of T. glabrescens oil, were also determined. Gas chromatography and gas chromatography/mass spectrometry were used to analyze the chemical composition of the oil. The antibacterial activities of the oil, geraniol, and thymol were investigated by the broth microdilution method. The interactions of the essential oil, geraniol, and thymol with tetracycline, toward five selected strains, were evaluated using the microdilution checkerboard assay. Oxygenated monoterpenes were the most abundant compound class in the oil (57.14%), with geraniol (22.33%) as the major compound. The essential oil exhibited in vitro antibacterial activity against all tested bacterial strains. The combinations, essential oil-tetracycline and thymol-tetracycline, produced synergistic interaction to a greater extent compared with geraniol-tetracycline association. All synergistic combinations reduced the minimum effective dose of the antibiotic and, consequently, minimized its adverse side effects.

  2. Investigation of a combined platinum and electron lifetime control treatment for silicon

    NASA Astrophysics Data System (ADS)

    Jia, Yunpeng; Cui, Zhihang; Yang, Fei; Zhao, Bao; Zou, Shikai; Liang, Yongsheng

    2017-02-01

    In silicon, the effect of Combined Lifetime Treatment (CLT) involving platinum diffusion and subsequent electron irradiation is different from the separate treatments of platinum diffusion and electron irradiation, even the treatment of electron irradiation followed by platinum diffusion. In this paper, we investigated the experimental behavior of different kinds of lifetime treated samples. We found that the reverse leakage current (Irr) increases with the increasing platinum diffusion temperature or electron irradiation dose in the separate treatments. Conversely, Irr of the CLT samples decreased with rising platinum diffusion temperature at the same dose of subsequent electron irradiation. By deep-level transient spectroscopy (DLTS), a new energy level E7 (Ec -0.376 eV) was found in our CLT samples. The new level E7 suppresses the dominance of the deeper level E8 (Ec -0.476 eV), which is caused by electron irradiation directly and results in Irr's increase. The formation of the level E7 comes from the complex defect-combined effect between platinum atoms and silicon vacancies, and it affects device's characteristics finally. These research will be helpful to the development of platinum-diffused devices used in intense electron irradiation environments.

  3. Naltrexone/bupropion for obesity: an investigational combination pharmacotherapy for weight loss.

    PubMed

    Billes, Sonja K; Sinnayah, Puspha; Cowley, Michael A

    2014-06-01

    The mechanism of action of the combination therapy, naltrexone/bupropion (NB), for obesity has not been fully described to date. Weight loss attempts rarely result in long-term success. This is likely a result of complex interactions among multiple peripheral and CNS systems that defend against weight loss, and may explain the overwhelming lack of effective obesity treatments. NB is an investigational combination therapy for obesity that was developed based on evidence that obesity involves alterations in the hypothalamic melanocortin system as well as brain reward systems that influence food craving and mood. Naltrexone and bupropion both have actions in these brain regions that may cause them to influence food intake, food craving, and other aspects of eating behavior that affect body weight. We review the individual actions of naltrexone and bupropion in brain hypothalamic and reward systems, and describe the current in vitro, in vivo, and clinical evidence for how NB influences food intake and produces weight loss. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

  4. Theoretical investigation of pressure drop in combined cyclone and fabric filter systems

    NASA Astrophysics Data System (ADS)

    Dirgo, John A.; Cooper, Douglas W.

    Computer simulations were conducted to investigate potential pressure drop reductions obtainable by combining cyclones, as pre-collectors, with fabric filters. The Leith-Licht model was used to characterize cyclone emissions and the specific resistance ( K2) of the fabric filter dust cake was calculated from an empirical correlation. Several important dimensionless groups were identified and evaluated. One group, the product of the ratio of the dust cake specific resistances expected with and without the cyclone and the mass penetration of the cyclone, ( K2/ K2) Pn, indicates whether a pressure drop reduction is possible. A correlation was developed for this group as a function of the size properties of the inlet dust (particle mass median diameter and geometric standard deviation) and the cyclone particle cut diameter. Expressions were derived for the break-even time, the duration of filtration with the cyclone needed to show a pressure drop reduction in comparison with filtration without the cyclone. It is shown that in previously reported experiments and simulations indicating an advantage for the combined cyclone-fabric filter system, filtration cycles were typically longer than the break-even time; those showing no improvement typically had filtration times shorter than the break-even time.

  5. Investigation on centrifugal impeller in an axial-radial combined compressor with inlet distortion

    NASA Astrophysics Data System (ADS)

    Li, Du; Yang, Ce; Zhao, Ben; Zhou, Mi; Qi, Mingxu; Zhang, Jizhong

    2011-12-01

    Assembling an axial rotor and a stator at centrifugal compressor upstream to build an axial-radial combined compressor could achieve high pressure ratio and efficiency by appropriate size augment. Then upstream potential flow and wake effect appear at centrifugal impeller inlet. In this paper, the axial-radial compressor is unsteadily simulated by three-dimensional Reynolds averaged Navier-Stokes equations with uniform and circumferential distorted total pressure inlet condition to investigate upstream effect on radial rotor. The results show that span-wise nonuniform total pressure distribution is generated and radial and circumferential combined distortion is formed at centrifugal rotor inlet. The upstream stator wake deflects to rotor rotation direction and decreases with blade span increases. Circumferential distortion causes different separated flow formations at different pitch positions. The tip leakage vortex is suppressed in centrifugal blade passages. Under distorted inlet condition, flow direction of centrifugal impeller leading edge upstream varies evidently near hub and shroud but varies slightly at mid-span. In addition, compressor stage inlet distortion produces remarkable effect on blade loading of centrifugal blade both along chordwise and pitchwise.

  6. Combined Neutron and X-ray Imaging for Non-invasive Investigations of Cultural Heritage Objects

    NASA Astrophysics Data System (ADS)

    Mannes, D.; Schmid, F.; Frey, J.; Schmidt-Ott, K.; Lehmann, E.

    The combined utilization of neutron and X-ray imaging for non-invasive investigations of cultural heritage objects is demonstrated on the example of a short sword found a few years ago in lake Zug, Switzerland. After conservation treatments carried out at the Swiss National Museum the sword was examined at the Paul Scherrer Institut (PSI), Villigen (CH), by means of neutron and X-ray computer tomography (CT). The two types of radiation show different interaction behavior with matter, which makes the two methods complementary. While X-rays show a strong correlation of the attenuation with the atomic number, neutrons demonstrate a high sensitivity for some light elements, such as Hydrogen and thus organic material, while some heavy elements (such as Lead) show high penetrability. The examined object is a composite of metal and organic material, which makes it an ideal example to show the complementarity of the two methods as it features materials, which are rather transparent for one type of radiation, while yielding at the same time high contrast for the other. Only the combination of the two methods made an exhaustive examination of the object possible and allowed to rebuild an accurate replica of the sword.

  7. A combined QCM and XPS investigation of asphaltene adsorption on metal surfaces.

    PubMed

    Rudrake, Amit; Karan, Kunal; Horton, J Hugh

    2009-04-01

    To investigate asphaltene-metal interactions, a combined quartz crystal microbalance (QCM) and X-ray photoelectron spectroscopy (XPS) study of asphaltene adsorption on a gold surface was conducted. Adsorption experiments were conducted at 25 degrees C with solutions of asphaltenes in toluene at concentrations ranging from 50 to 1500 ppm. QCM measurements yielded information on the kinetics of adsorption and further assessment of the data allowed the estimation of equilibrium adsorption levels. XPS analysis of adsorbed and bulk asphaltene demonstrated the presence of carboxylic, thiophenic, sulfide, pyridinic and pyrrolic type functional groups. The intensity of the main carbon (C-H) peak was related to surface coverage of adsorbed asphaltene as a function of asphaltene concentration by a simple mathematical model. The mass adsorption data from the QCM experiments also allowed estimation of the surface coverage, which was compared to those from XPS analyses. Surface coverage estimates as a function of asphaltene concentration could be described by a Langmuir (type-I) isotherm. The free energy of asphaltene adsorption was estimated to be -26.8+/-0.1 and -27.3+/-0.1 kJ/mol from QCM and XPS data, respectively assuming asphaltene molar mass of 750 g/gmol. QCM and XPS data was also analyzed to estimate adsorbed layer thickness after accounting for surface coverage. The thickness of the adsorbed asphaltene estimated from both XPS and QCM data analyses ranged from 6-8 nm over the entire range of adsorption concentrations investigated.

  8. Investigation of strategies for drug delivery by combination targeting of nanocarriers to multiple epitopes or receptors

    NASA Astrophysics Data System (ADS)

    Papademetriou, Iason Titos

    Development of drug delivery systems (ie. nanocarriers) with controllable composition, architecture, and functionalities is heavily investigated in the field of drug delivery in order to improve clinical interventions. Designing drug nanocarriers which possess targeting properties is critical to enable them to reach the intended site of intervention in the body. To achieve this goal, the surface of drug nanocarriers can be modified with targeting moieties (antibodies, peptides, etc.) addressed to cell surface molecules expressed on the diseased tissues and cells. If these molecules are receptors capable of internalizing bound ligands via endocytosis, targeting can then enable drug transport into cells or across cellular barriers in the body. Yet, addressing nanocarriers to single targets presents limited control over cellular interactions and biodistribution. Since most cell-surface markers are not exclusively expressed in a precise site in vivo, high affinity of targeted nanocarriers may lead to non-desired accumulation in regions of the body associated with low expression. Modification of nanocarriers to achieve combined-targeting (binding to more than one cell-surface receptor) may help modulate binding to cells and also endocytosis, since cell receptors possess distinct functions and features affecting these parameters, such as their expression, location on the plasmalemma, activation in disease, mechanism of endocytosis, etc. Further, targeting nanocarriers to multiple epitopes of the same receptor, a strategy which has never been tested, may also modulate these parameters since they are highly epitope specific. In this dissertation, we investigate the effect of targeting model polymer nanocarriers to: (1) multiple receptors of similar function (intercellular-, platelet-endothelial-, and/or vascular-cell adhesion molecules), (2) multiple receptors of different function (intercellular adhesion molecule 1 and transferrin receptor), or (3) multiple epitopes of

  9. Investigation of hydrogel membranes containing combination of gentamicin and dexamethasone for ocular delivery

    PubMed Central

    Prabhu, Prabhakara; Dubey, Akhilesh; Parth, Vinod; Ghate, Vivek

    2015-01-01

    Background: Hydrogel is a cross-linked network of polymers. Water penetrates these network causing swelling and giving the hydrogel a soft and rubbery consistency and there by maintaining the integrity of the membrane. Due to the drawback of conventional therapy for ocular delivery, hydrogel membranes containing the combination of gentamicin (GT) sulfate and dexamethasone (DX) were formulated for the treatment of conjunctivitis. The objective of this study was to formulate and evaluate the hydrogel membranes containing the combination of GT and DX for the treatment of conjunctivitis. Materials and Methods: In the present investigation, hydrogel membranes were prepared by using polymers such as gelatin, polyvinyl alcohol, and chitosan, which were cross-linked using physical/chemical methods. Results: The cross-linking of the membranes was confirmed by Fourier transform infra-red studies. The pH of the membranes ranged from 7.19 to 7.45 and drug content ranged from 69.82% to 89.19%. The hydrogels showed a considerably good swelling ratio ranging from 22.5% to 365.56%. The in vitro drug release study showed that there was a slow and sustained release of the drug from the membranes which were sufficiently cross-linked and followed zero order release. In vivo studies showed that the severity of conjunctivitis was remarkably lowered at day 3 with hydrogel membrane compared to marketed eye drops. Results of unpaired t-test of significance between two groups indicated that the hydrogel membrane showed a better response in the treatment of conjunctivitis compared to the marketed products. Stability studies proved that the formulations could be stable when stored at room temperature. Conclusion: Results of the study indicated that it is possible to develop a safe and physiologically effective hydrogels which are patient compliant. PMID:26682192

  10. A phase II study of an investigational tetravalent influenza vaccine formulation combining MF59®

    PubMed Central

    Herbinger, Karl-Heinz; von Sonnenburg, Frank; Nothdurft, Hans Dieter; Perona, Pamela; Borkowski, Astrid; Fragapane, Elena; Nicolay, Uwe; Clemens, Ralf

    2014-01-01

    An investigational tetravalent vaccine combining pre-pandemic, MF59®-adjuvanted A/H5N1 vaccine with non-adjuvanted, trivalent, seasonal influenza vaccine has been developed, which has the potential to be used for pre-pandemic priming and to improve levels of compliance and coverage. It is important to determine whether the safety and immunogenicity of the combination vaccine is equivalent to that of the two separate vaccines when administered concomitantly. Healthy adults (n = 601) were randomly assigned to three vaccination groups to receive either: (1) tetravalent vaccine and placebo concomitantly (in separate arms) on Day 1, followed by A/H5N1 vaccine on Day 22; (2) A/H5N1 vaccine and placebo concomitantly on Day 1, followed by tetravalent vaccine on Day 22; or (3) A/H5N1 and seasonal vaccines concomitantly on Day 1, followed by A/H5N1 vaccine on Day 22. Antibody responses were measured using single radial hemolysis (SRH), haemagglutination inhibition (HI), and microneutralization (MN) assays on Days 1, 22, and 43. Solicited adverse reactions were recorded for seven days after vaccination. Spontaneous adverse events were recorded throughout the study. The tetravalent vaccine elicited antibody titers equivalent to those for separate A/H5N1 and seasonal vaccines, and sufficient to meet the European licensure criteria against A/H5N1 and all three seasonal strains. Local and systemic reactions were mainly mild to moderate. No vaccine-related serious adverse events occurred. These findings demonstrate that MF59-adjuvanted A/H5N1 and seasonal influenza vaccines had an acceptable safety profile and could be effectively administered as a tetravalent formulation, supporting the possibility of integrating pre-pandemic priming into seasonal influenza vaccination programs. PMID:24047817

  11. An Investigative Peptide–Acyclovir Combination to Control Herpes Simplex Virus Type 1 Ocular Infection

    PubMed Central

    Park, Paul J.; Antoine, Thessicar E.; Farooq, Asim V.; Valyi-Nagy, Tibor; Shukla, Deepak

    2013-01-01

    Purpose. To investigate the efficacy of a combination treatment composed of the cationic, membrane-penetrating peptide G2, and acyclovir (ACV) in both in vitro and ex vivo models of herpes simplex virus 1 (HSV-1) ocular infection. Methods. The antiviral activity of a combined G2 peptide and ACV therapy (G2-ACV) was assessed in various treatment models. Viral entry, spread, and plaque assays were performed in vitro to assess the prophylactic efficacy of G2, G2-ACV, and ACV treatments. In the ex vivo model of HSV-1 infection, the level of viral inhibition was also compared among the three treatment groups via Western blot analysis and immunohistochemistry. The potential change in expression of the target receptor for G2 was also assessed using immunohistochemistry and RT-PCR. Results. Statistically significant effects against HSV-1 infection were seen in all treatment groups in the viral entry, spread, and plaque assays. The greatest effects against HSV-1 infection in vitro were seen in the G2-ACV group. In the ex vivo model, statistically significant anti–HSV-1 effects were also noted in all control groups. At 24 hours, the greatest inhibitory effect against HSV-1 infection was seen in the ACV group. At 48 hours, however, the G2-ACV–treated group demonstrated the greatest antiviral activity. Syndecan-1, a target of G2, was found to be upregulated at 12-hours postinfection. Conclusions. This study shows that G2-ACV may be an effective antiviral against HSV-1 (KOS) strain when applied as single prophylactic applications with or without continuous doses postinfection. PMID:23989188

  12. An investigative peptide-acyclovir combination to control herpes simplex virus type 1 ocular infection.

    PubMed

    Park, Paul J; Antoine, Thessicar E; Farooq, Asim V; Valyi-Nagy, Tibor; Shukla, Deepak

    2013-09-27

    To investigate the efficacy of a combination treatment composed of the cationic, membrane-penetrating peptide G2, and acyclovir (ACV) in both in vitro and ex vivo models of herpes simplex virus 1 (HSV-1) ocular infection. The antiviral activity of a combined G2 peptide and ACV therapy (G2-ACV) was assessed in various treatment models. Viral entry, spread, and plaque assays were performed in vitro to assess the prophylactic efficacy of G2, G2-ACV, and ACV treatments. In the ex vivo model of HSV-1 infection, the level of viral inhibition was also compared among the three treatment groups via Western blot analysis and immunohistochemistry. The potential change in expression of the target receptor for G2 was also assessed using immunohistochemistry and RT-PCR. Statistically significant effects against HSV-1 infection were seen in all treatment groups in the viral entry, spread, and plaque assays. The greatest effects against HSV-1 infection in vitro were seen in the G2-ACV group. In the ex vivo model, statistically significant anti-HSV-1 effects were also noted in all control groups. At 24 hours, the greatest inhibitory effect against HSV-1 infection was seen in the ACV group. At 48 hours, however, the G2-ACV-treated group demonstrated the greatest antiviral activity. Syndecan-1, a target of G2, was found to be upregulated at 12-hours postinfection. This study shows that G2-ACV may be an effective antiviral against HSV-1 (KOS) strain when applied as single prophylactic applications with or without continuous doses postinfection.

  13. Investigating the Contextual Interference Effect Using Combination Sports Skills in Open and Closed Skill Environments

    PubMed Central

    Cheong, Jadeera P.G.; Lay, Brendan; Razman, Rizal

    2016-01-01

    This study attempted to present conditions that were closer to the real-world setting of team sports. The primary purpose was to examine the effects of blocked, random and game-based training practice schedules on the learning of the field hockey trap, close dribble and push pass that were practiced in combination. The secondary purpose was to investigate the effects of predictability of the environment on the learning of field hockey sport skills according to different practice schedules. A game-based training protocol represented a form of random practice in an unstable environment and was compared against a blocked and a traditional random practice schedule. In general, all groups improved dribble and push accuracy performance during the acquisition phase when assessed in a closed environment. In the retention phase, there were no differences between the three groups. When assessed in an open skills environment, all groups improved their percentage of successful executions for trapping and passing execution, and improved total number of attempts and total number of successful executions for both dribbling and shooting execution. Between-group differences were detected for dribbling execution with the game-based group scoring a higher number of dribbling successes. The CI effect did not emerge when practicing and assessing multiple sport skills in a closed skill environment, even when the skills were practiced in combination. However, when skill assessment was conducted in a real-world situation, there appeared to be some support for the CI effect. Key points The contextual interference effect was not supported when practicing several skills in combination when the sports skills were assessed in a closed skill environment. There appeared to be some support for the contextual interference effect when sports skills were assessed in an open skill environment, which were similar to a real game situation. A game-based training schedule can be used as an alternative

  14. A combined TD-DFT and spectroscopic investigation of the solute-solvent interactions of efavirenz.

    PubMed

    Jordaan, Maryam A; Singh, Parvesh; Martincigh, Bice S

    2016-03-15

    Efavirenz, commercially known as Sustiva® or Stocrin®, is a first-line antiretroviral treatment for HIV/AIDS. The clinical efficacy of efavirenz is, however, hindered by its solubility. We sought to investigate the solute-solvent effects of efavirenz by means of a combined qualitative study implementing UV-visible spectrophotometry, (1)H NMR spectroscopy and time-dependent density functional theory (TD-DFT) calculations. The UV spectrum displayed two main absorbance maxima, band I and band II at 246-260 and 291-295 nm, respectively. A general bathochromic shift was noticed from the non-polar solvent cyclohexane to the most polar solvent DMSO (≈13.69 nm) in band I and a smaller bathochromic (≈2.17 nm) and hyperchromic shift was observed in band II. We propose that these observations are due to the role of the amino (NH) and carbonyl (CO) functionalities which induce charge-transfer and intra- and inter-molecular hydrogen bonding. The aromatic and amine protons showed the most deshielded effects in the observed chemical shifts (δ) in the more polar DMSO-d6 solvent relative to CDCl3. The (1)H NMR chemical shifts observed are due to the increased delocalization of the lone pair electrons of the amino nitrogen with increased polarity of the more polar DMSO solvent. The theoretical reproduction of the UV and (1)H NMR spectra by means of TD-DFT is in good agreement with the experimental results.

  15. Combined DFT and XPS investigation of iodine anions adsorption on the sulfur terminated (001) chalcopyrite surface

    NASA Astrophysics Data System (ADS)

    Li, Kui; Zhao, Yaolin; Zhang, Peng; He, Chaohui; Deng, Jia; Ding, Shujiang; Shi, Weiqun

    2016-12-01

    The adsorption of iodine anions (iodide and iodate) on the sulfur terminated (001) chalcopyrite surface has been systematically investigated combining first-principles calculations based on density functional theory (DFT) with X-ray photoelectron spectroscopy (XPS) measurements. Based on the total energy calculations and geometric optimization, the thermodynamically preferred site was copper atom for iodide adsorption and iron atom for iodate adsorption, respectively. In the case of Cu site mode, the iodate underwent a dissociative adsorption, where one Isbnd O bond of iodate ion was broken and the dissociative oxygen atom adsorbed on the adjacent sulphur site. Projected density of states (PDOS) analysis further clarified the interaction mechanism between active sites of chalcopyrite surface and adsorbates. In addition, full-range XPS spectra qualitatively revealed the presence of iodine on chalcopyrite surface. High resolution XPS spectra of the I 3d peaks after adsorption verified the chemical environment of iodine. The binding energies of 618.8 eV and 623.5 eV for I 3d5/2 peaks unveiled that the adsorption of iodide and iodate ions on copper-iron sulfide minerals was the result of formation of low solubility metal iodides precipitate. Also two I 3d peaks with low intensity around 618 eV and 630 eV might be related to the inorganic reduction of iodate to iodide by reducing S2- ion of chalcopyrite.

  16. Investigation of metal ion extraction and aggregate formation combining acidic and neutral organophosphorous reagents

    SciTech Connect

    Braatz, A.D.; Nilsson, M.; Ellis, R.; Antonio, M.

    2013-07-01

    In the present study, we investigate how varying mixtures of tri-n-butyl phosphate (TBP) and dibutyl phosphate (HDBP) results in enhanced extraction of lanthanum(III), La{sup 3+}, and dysprosium(III), Dy{sup 3+}. Water and metal ion extraction were carefully monitored as a function of TBP:HDBP mole ratio.In addition to these techniques, EXAFS was used to determine the coordination environment of the metal ion in this system. To produce the necessary signal, a concentration of 1.25*10{sup -3} M La{sup 3+} and Dy{sup 3+} was used. Although previous studies of synergistic extraction of metal cations using combinations of neutral and acidic reagents explain the enhanced extraction by increased dehydration of the metal ion and the formation of mixed extractant complexes, our evidence for the increased water extraction coupled with the aggregate formation suggests a reverse micellar aspect to synergism in the system containing TBP and HDBP. It is quite possible that both of these phenomena contribute to our system behavior. The EXAFS data shows that, based on coordination numbers alone, several possible structures may exist. From this study, we cannot provide a definitive answer as to the nature of extraction in this system or the exact complex formed during extraction.

  17. Combining a semantic differential with fMRI to investigate brands as cultural symbols.

    PubMed

    Schaefer, Michael; Rotte, Michael

    2010-06-01

    Traditionally, complex cultural symbols like brands are investigated with psychological approaches. Often this is done by using semantic differentials, in which participants are asked to rate a brand regarding different pairs of adjectives. Only recently, functional magnetic resonance imaging (fMRI) has been used to examine brands. In the current work we used fMRI in combination with a semantic differential to cross-validate both methods and to improve the characterization of the basic factors constituting the semantic space. To this end we presented pictures of brands while recording subject's brain activity during an fMRI experiment. Results of the semantic differential arranged the brands in a semantic space illustrating their relationships to other cultural symbols. FMRI results revealed activation of the medial prefrontal cortex for brands that loaded high on the factor 'social competence', suggesting an involvement of a cortical network associated with social cognitions. In contrast, brands closely related to the factor 'potency' showed decreased activity in the superior frontal gyri, possibly related to working memory during task performance. We discuss the results as a different engagement of the prefrontal cortex when perceiving brands as cultural symbols.

  18. Combining environmental assessment and contact investigations to make tuberculosis screening decisions.

    PubMed

    Pankhurst, L J; Anaraki, S; Lai, K M

    2012-08-01

    A combination of environmental measurement and mathematical modelling may provide a more quantitative method to inform the tuberculosis (TB) screening process in non-household settings following diagnosis of an infectious case. To explore different methods for environmental assessment and mathematical modelling to predict TB transmission risk and devise a tool for public health practitioners for use in TB investigations. Parameters including air flow, carbon dioxide (CO(2)) and airborne particles were measured over 3 working days in an office with a staff member with infectious TB. The Wells-Riley model was applied to predict transmission rates. The results suggested that poor ventilation and well-mixed air led to equal exposure of staff members to airborne TB bacilli. The model's prediction of attack rate (42%) supported the actual number of infections that occurred (50%). This study supports the use of environmental assessment and modelling as a tool for public health practitioners to determine the extent of TB exposure and to inform TB screening strategies. CO(2) and airborne particle profiles, both measured via a handheld device, provide the greatest practicality and amount of information that public health practitioners can use. Further studies will validate the level of screening required related to these measurements.

  19. Combined Experimental and Numerical Investigation of Lightcraft no. 200 Aerodynamics at Mach 3

    SciTech Connect

    Droz, I. M.; Myrabo, L. N.; McInerney, J. P.

    2008-04-28

    The combined experimental and numerical research study investigated the supersonic aerodynamics of a Type 200 laser lightcraft at Mach 3 and {approx}18 km altitude. Several 1 inch (2.54 cm) and 1.25 inch (3.175 cm) diameter lightcraft models with 'closed' axisymmetric inlets were machined from 6061-T6 aluminum and tested in RPI's vacuum-driven Mach 3 wind tunnel. Schlieren photographs were taken of the unpowered models in both axial- and lateral-flight (i.e., 'Frisbee' mode) directions, then compared and contrasted with CFD predictions using Fluent registered . One 1.25 inch axial flight model was fitted with a piezoelectric load cell to measure axial drag forces. Preliminary measurements of aerodynamic lift forces in the lateral flight mode were recorded as a function of angle of attack, using a special strain guage sting balance with an adjustable elbow. The bow shock structure captured in Schlieren photographs correlated well with CFD simulations, as well as with shockwave theory for common conical noses. In these axial flight model tests, slight differences were noted between the Schlieren photos and CFD density contour plots, especially with regard to the secondary shock structure; CFD results predicted these shocks closer to the shroud than nature would have it.

  20. Combined Experimental and Numerical Investigation of Lightcraft ♯200 Aerodynamics at Mach 3

    NASA Astrophysics Data System (ADS)

    Droz, I. M.; Myrabo, L. N.; McInerney, J. P.

    2008-04-01

    The combined experimental and numerical research study investigated the supersonic aerodynamics of a Type 200 laser lightcraft at Mach 3 and ˜18 km altitude. Several 1 inch (2.54 cm) and 1.25 inch (3.175 cm) diameter lightcraft models with "closed" axisymmetric inlets were machined from 6061-T6 aluminum and tested in RPI's vacuum-driven Mach 3 wind tunnel. Schlieren photographs were taken of the unpowered models in both axial- and lateral-flight (i.e., "Frisbee" mode) directions, then compared and contrasted with CFD predictions using Fluent®. One 1.25 inch axial flight model was fitted with a piezoelectric load cell to measure axial drag forces. Preliminary measurements of aerodynamic lift forces in the lateral flight mode were recorded as a function of angle of attack, using a special strain guage sting balance with an adjustable elbow. The bow shock structure captured in Schlieren photographs correlated well with CFD simulations, as well as with shockwave theory for common conical noses. In these axial flight model tests, slight differences were noted between the Schlieren photos and CFD density contour plots, especially with regard to the secondary shock structure; CFD results predicted these shocks closer to the shroud than nature would have it.

  1. A combined theoretical and experimental investigation of uranium dioxide under high static pressure

    NASA Astrophysics Data System (ADS)

    Crowhurst, J. C.; Jeffries, J. R.; Åberg, D.; Zaug, J. M.; Dai, Z. R.; Siekhaus, W. J.; Teslich, N. E.; Holliday, K. S.; Knight, K. B.; Nelson, A. J.; Hutcheon, I. D.

    2015-07-01

    We have investigated the behavior of uranium dioxide (UO2) under high static pressure using a combination of experimental and theoretical techniques. We have made Raman spectroscopic measurements up to 87 GPa, electrical transport measurements up to 50 GPa from 10 K to room temperature, and optical transmission measurements up to 28 GPa. We have also carried out theoretical calculations within the GGA + U framework. We find that Raman frequencies match to a large extent, theoretical predictions for the cotunnite (Pnma) structure above 30 GPa, but at higher pressures some behavior is not captured theoretically. The Raman measurements also imply that the low-pressure fluorite phase coexists with the cotunnite phase up to high pressures, consistent with earlier reports. Electrical transport measurements show that the resistivity decreases by more than six orders of magnitude with increasing pressure up to 50 GPa but that the material never adopts archetypal metallic behavior. Optical transmission spectra show that while UO2 becomes increasingly opaque with increasing pressure, a likely direct optical band gap of more than 1 eV exists up to at least 28 GPa. Together with the electrical transport measurements, we conclude that the high pressure electrical conductivity of UO2 is mediated by variable-range hopping.

  2. Trace element carriers in combined sewer during dry and wet weather: an electron microscope investigation.

    PubMed

    El Samrani, A G; Lartiges, B S; Ghanbaja, J; Yvon, J; Kohler, A

    2004-04-01

    The nature of trace element carriers contained in sewage and combined sewer overflow (CSO) was investigated by TEM-EDX-Electron diffraction and SEM-EDX. During dry weather, chalcophile elements were found to accumulate in sewer sediments as early diagenetic sulfide phases. The sulfurization of some metal alloys was also evidenced. Other heavy metal carriers detected in sewage include metal alloys, some iron oxihydroxide phases and neoformed phosphate minerals such as anapaite. During rain events, the detailed characterization of individual mineral species allowed to differentiate the contributions from various specific sources. Metal plating particles, barite from automobile brake, or rare earth oxides from catalytic exhaust pipes, originate from road runoff, whereas PbSn alloys and lead carbonates are attributed to zinc-works from roofs and paint from building siding. Soil contribution can be traced by the presence of clay minerals, iron oxihydroxides, zircons and rare earth phosphates. However, the most abundant heavy metal carriers in CSO samples were the sulfide particles eroded from sewer sediments. The evolution of relative abundances of trace element carriers during a single storm event, suggests that the pollution due to the "first flush" effect principally results from the sewer stock of sulfides and previously deposited metal alloys, rather than from urban surface runoff.

  3. Investigation of the hydrated 7-hydroxy-4-methylcoumarin dimer by combined IR/UV spectroscopy

    SciTech Connect

    Stamm, A.; Schwing, K.; Gerhards, M.

    2014-11-21

    The first molecular beam investigations on a coumarin dimer and clusters of a coumarin dimer with water both in the neutral (S{sub 0}) and cationic (D{sub 0}) electronic ground state are performed. The structure and structural changes due to ionization of the isolated 7-hydroxy-4-methylcoumarin dimer (7H4MC){sub 2} as well as its mono- and dihydrate (7H4MC){sub 2}(H{sub 2}O){sub 1-2} are analyzed by applying combined IR/UV spectroscopy compared with density functional theory calculations. In case of the neutral dimer of 7H4MC a doubly hydrogen-bonded structure is formed. This doubly hydrogen-bonded arrangement opens to a singly hydrogen-bonded structure in the ion presenting a rearrangement reaction within an isolated dimer. By attaching one or two water molecules to the neutral 7H4MC dimer water is inserted into the hydrogen bonds. In contrast to the non-hydrated species this general binding motif with water in a bridging function does not change via ionization but especially for the dihydrate the spatial arrangement of the two 7H4MC units changes strengthening the interaction between the aromatic chromophores. The presented analyses illustrate the strong dependence of binding motifs as a function of successive hydration and charge including a rearrangement reaction.

  4. Investigation of a Combined Surveying and Scanning Device: The Trimble SX10 Scanning Total Station.

    PubMed

    Lachat, Elise; Landes, Tania; Grussenmeyer, Pierre

    2017-03-31

    Surveying fields from geosciences to infrastructure monitoring make use of a wide range of instruments for accurate 3D geometry acquisition. In many cases, the Terrestrial Laser Scanner (TLS) tends to become an optimal alternative to total station measurements thanks to the high point acquisition rate it offers, but also to ever deeper data processing software functionalities. Nevertheless, traditional surveying techniques are valuable in some kinds of projects. Nowadays, a few modern total stations combine their conventional capabilities with those of a laser scanner in a unique device. The recent Trimble SX10 scanning total station is a survey instrument merging high-speed 3D scanning and the capabilities of an image-assisted total station. In this paper this new instrument is introduced and first compared to state-of-the-art image-assisted total stations. The paper also addresses the topic of various laser scanning projects and the delivered point clouds are compared with those of other TLS. Directly and indirectly georeferenced projects have been carried out and are investigated in this paper, and a polygonal traverse is performed through a building. Comparisons with the results delivered by well-established survey instruments show the reliability of the Trimble SX10 for geodetic work as well as for scanning projects.

  5. A combined theoretical and experimental investigation of uranium dioxide under high static pressure.

    PubMed

    Crowhurst, J C; Jeffries, J R; Åberg, D; Zaug, J M; Dai, Z R; Siekhaus, W J; Teslich, N E; Holliday, K S; Knight, K B; Nelson, A J; Hutcheon, I D

    2015-07-08

    We have investigated the behavior of uranium dioxide (UO2) under high static pressure using a combination of experimental and theoretical techniques. We have made Raman spectroscopic measurements up to 87 GPa, electrical transport measurements up to 50 GPa from 10 K to room temperature, and optical transmission measurements up to 28 GPa. We have also carried out theoretical calculations within the GGA + U framework. We find that Raman frequencies match to a large extent, theoretical predictions for the cotunnite (Pnma) structure above 30 GPa, but at higher pressures some behavior is not captured theoretically. The Raman measurements also imply that the low-pressure fluorite phase coexists with the cotunnite phase up to high pressures, consistent with earlier reports. Electrical transport measurements show that the resistivity decreases by more than six orders of magnitude with increasing pressure up to 50 GPa but that the material never adopts archetypal metallic behavior. Optical transmission spectra show that while UO2 becomes increasingly opaque with increasing pressure, a likely direct optical band gap of more than 1 eV exists up to at least 28 GPa. Together with the electrical transport measurements, we conclude that the high pressure electrical conductivity of UO2 is mediated by variable-range hopping.

  6. Investigation of the hydrated 7-hydroxy-4-methylcoumarin dimer by combined IR/UV spectroscopy.

    PubMed

    Stamm, A; Schwing, K; Gerhards, M

    2014-11-21

    The first molecular beam investigations on a coumarin dimer and clusters of a coumarin dimer with water both in the neutral (S0) and cationic (D0) electronic ground state are performed. The structure and structural changes due to ionization of the isolated 7-hydroxy-4-methylcoumarin dimer (7H4MC)2 as well as its mono- and dihydrate (7H4MC)2(H2O)1-2 are analyzed by applying combined IR/UV spectroscopy compared with density functional theory calculations. In case of the neutral dimer of 7H4MC a doubly hydrogen-bonded structure is formed. This doubly hydrogen-bonded arrangement opens to a singly hydrogen-bonded structure in the ion presenting a rearrangement reaction within an isolated dimer. By attaching one or two water molecules to the neutral 7H4MC dimer water is inserted into the hydrogen bonds. In contrast to the non-hydrated species this general binding motif with water in a bridging function does not change via ionization but especially for the dihydrate the spatial arrangement of the two 7H4MC units changes strengthening the interaction between the aromatic chromophores. The presented analyses illustrate the strong dependence of binding motifs as a function of successive hydration and charge including a rearrangement reaction.

  7. Investigating therapeutic usage of combined Ticagrelor and Aspirin through solid-state and analytical studies.

    PubMed

    Sadou Yayé, Hassane; Rietveld, Ivo B; Barrio, Maria; Secrétan, Philippe-Henri; Faucheron, Antoine; Karoui, Maher; Tilleul, Patrick; Yagoubi, Najet; Do, Bernard

    2017-09-30

    The mainstay treatment for patients with acute coronary syndrome is an oral route dual antiplatelet therapy with a P2Y12-receptor antagonist and Aspirin (ASA). To improve patient adherence to such treatments, combination therapies (polypill) are envisioned. Physicochemical solid-state studies have been carried out to develop a preformulation strategy of ASA with the P2Y12-receptor antagonist Ticagrelor (TIC). The investigations were carried out using differential scanning calorimetry, liquid chromatography-high resolution-multistage mass spectrometry (LC-HR-MS(n)) and as complementary techniques Fourier transform infrared measurements and thermogravimetric analysis. A simple eutectic transition at 98°C with a mole fraction for the eutectic liquid of 0.457 has been observed and the mixing of ASA and TIC molecules in each other's crystal structures appears to be limited. No cocrystals of TIC and ASA have been found. The appearance of the eutectic liquid was linked with a clear onset of chemical instability of the two pharmaceuticals. The decomposition mechanism in the liquid phase involves prior decomposition of ASA, whose residues react with well-identified TIC interaction sites. Seven interaction products were observed by LC-HR-MS(n) linked to corresponding degradation products. The most important degradation pathway is N-dealkylation. In conclusion, polypills of ASA and TIC are a viable approach, but the decomposition of ASA should be avoided by eliminating high temperatures and high humidity. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Negative hemodynamic response without neuronal inhibition investigated by combining optical imaging and electrophysiological recording.

    PubMed

    Ma, Zengguang; Cao, Pengjia; Sun, Pengcheng; Lu, Zhuofan; Li, Liming; Chen, Yao; Chai, Xinyu

    2017-01-10

    Understanding the mechanisms underlying negative hemodynamic responses is critical for the interpretation of functional brain imaging signals. Negative imaging signals have been found in the visual, somatosensory and motor cortices in functional magnetic resonance imaging (fMRI) and intrinsic signal optical imaging (ISOI) studies. However, the origin of negative imaging signals is still controversial. The present study investigated the visual cortical responses to peripheral grating stimuli using multi-wavelength ISOI and electrophysiological recording. We found an increased cerebral blood volume (CBV) in the stimulus-induced regions and a decreased CBV in the adjacent regions in the visual cortex. Nevertheless, there was no significant change in blood oxygenation in the negative CBV regions. Furthermore, by combining the planar and laminar electrophysiological recordings, we did not observe significantly decreased neuronal activity in the negative CBV regions. Our results suggest that the negative hemodynamic response does not necessarily originate in decreased neuronal activity. Therefore, caution should be taken when interpreting a negative hemodynamic response as neuronal inhibition.

  9. Combined experimental and theoretical investigation of the gas bubble motion in an acoustic field.

    PubMed

    Ma, Xiaojian; Xing, Tianyu; Huang, Biao; Li, Qiuhe; Yang, Yifei

    2018-01-01

    The objective of this paper is to apply the combined experimental and theoretical method to investigate the various behaviors of gas bubbles in an acoustic field. In the experiments, high-speed video and ultrasonic processor are used to capture the transient evolution of gas bubble patterns, as well as velocity profiles. In the theoretical analysis, the theories of primary and secondary Bjerknes forces and buoyancy force are introduced to accurately demonstrate the variations of bubble volume and motion. Results are presented for gas bubbles with the radius of 1.4mm under an acoustic field with a frequency of 18kHz, for three cases, namely single bubble rising in a quiescent liquid, acoustic single bubble oscillation and two bubbles coalescence conditions. The results show that the fragments around the single gas bubble presents the periodical behaviors, namely, splitting, attraction, and secondary splitting motion. The centroid of the single gas bubble almost oscillates without motion upwards or downwards, because of the equilibrium of the primary Bjerknes force caused by acoustic waves and the effect of the buoyancy force. For the two coalescing bubbles, the resultant of buoyancy, primary and secondary Bjerknes forces acting on two bubbles are same in magnitude, but in opposite direction, which indicates that two gas bubbles attract each other and and coalesce into one. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. A combined TD-DFT and spectroscopic investigation of the solute-solvent interactions of efavirenz

    NASA Astrophysics Data System (ADS)

    Jordaan, Maryam A.; Singh, Parvesh; Martincigh, Bice S.

    2016-03-01

    Efavirenz, commercially known as Sustiva® or Stocrin®, is a first-line antiretroviral treatment for HIV/AIDS. The clinical efficacy of efavirenz is, however, hindered by its solubility. We sought to investigate the solute-solvent effects of efavirenz by means of a combined qualitative study implementing UV-visible spectrophotometry, 1H NMR spectroscopy and time-dependent density functional theory (TD-DFT) calculations. The UV spectrum displayed two main absorbance maxima, band I and band II at 246-260 and 291-295 nm, respectively. A general bathochromic shift was noticed from the non-polar solvent cyclohexane to the most polar solvent DMSO (≈ 13.69 nm) in band I and a smaller bathochromic (≈ 2.17 nm) and hyperchromic shift was observed in band II. We propose that these observations are due to the role of the amino (NH) and carbonyl (CO) functionalities which induce charge-transfer and intra- and inter-molecular hydrogen bonding. The aromatic and amine protons showed the most deshielded effects in the observed chemical shifts (δ) in the more polar DMSO-d6 solvent relative to CDCl3. The 1H NMR chemical shifts observed are due to the increased delocalization of the lone pair electrons of the amino nitrogen with increased polarity of the more polar DMSO solvent. The theoretical reproduction of the UV and 1H NMR spectra by means of TD-DFT is in good agreement with the experimental results.

  11. An Experimental Investigation of Several Low-Drag Wing-Nacelle Combinations with Internal Air Flow

    NASA Technical Reports Server (NTRS)

    Allen, H. Julian; Frick, Charles W.; Erickson, Myles D.

    1945-01-01

    The results of an experimental investigation of several low-drag wing-nacelle combinations, incorporating internal air-flow systems, are presented. The external-drag increments due to these nacelles are between one-half and two-thirds of those of conventional nacelle forms. This improvement is accomplished with only minor effects on the lift and moment characteristics of the wing. The procedure employed to determine the external shape of such low-drag nacelles is considered in detail. The design of an efficient internal-flow system with or without a blower or throttle, presents no serious problems. The energy losses in the expansion before the engine and the contraction thereafter can be kept small. It is believed that these nacelles have a wide application in housing engine pusher-propeller units and, with some alteration, jet-propulsion devices. It is probable that the low external drags may not be realized if such nacelles are used with a tractor propeller because of the high level of turbulence in the propeller slipstream.

  12. Investigation of a Combined Surveying and Scanning Device: The Trimble SX10 Scanning Total Station

    PubMed Central

    Lachat, Elise; Landes, Tania; Grussenmeyer, Pierre

    2017-01-01

    Surveying fields from geosciences to infrastructure monitoring make use of a wide range of instruments for accurate 3D geometry acquisition. In many cases, the Terrestrial Laser Scanner (TLS) tends to become an optimal alternative to total station measurements thanks to the high point acquisition rate it offers, but also to ever deeper data processing software functionalities. Nevertheless, traditional surveying techniques are valuable in some kinds of projects. Nowadays, a few modern total stations combine their conventional capabilities with those of a laser scanner in a unique device. The recent Trimble SX10 scanning total station is a survey instrument merging high-speed 3D scanning and the capabilities of an image-assisted total station. In this paper this new instrument is introduced and first compared to state-of-the-art image-assisted total stations. The paper also addresses the topic of various laser scanning projects and the delivered point clouds are compared with those of other TLS. Directly and indirectly georeferenced projects have been carried out and are investigated in this paper, and a polygonal traverse is performed through a building. Comparisons with the results delivered by well-established survey instruments show the reliability of the Trimble SX10 for geodetic work as well as for scanning projects. PMID:28362319

  13. Some Investigations of the General Instability of Stiffened Metal Cylinders VII : Stiffened Metal Cylinders Subjected to Combined Bending and Torsion

    NASA Technical Reports Server (NTRS)

    1943-01-01

    This report summarizes the work that has been carried on in the experimental investigation of the problem of the general instability of stiffened metal cylinders subjected to combined bending and torsion at the C.I.T. This part of the investigation included tests on 26 sheet-covered specimens. An interaction curve for the case of combined bending and torsion is presented. The results of tests of 17 specimens subjected to pure torsion are also given.

  14. Urban shear-wave reflection seismics: Reconstruction support by combined shallow seismic and engineering geology investigations

    NASA Astrophysics Data System (ADS)

    Polom, U.; Guenther, A.; Arsyad, I.; Wiyono, P.; Krawczyk, C. M.

    2009-12-01

    After the big 2004 Sumatra-Andaman earthquake, the massive reconstruction activities in the Aceh province (Northern Sumatra) were promoted by the Republic of Indonesia and the Federal Ministry of Economic Cooperation and Development. The aims of the project MANGEONAD (Management of Georisk Nanggroe Aceh Darussalam). are to establish geoscientific on the ground support for a sustainable development and management of save building constructions, lifelines, infrastructure and also natural resources. Therefore, shallow shear-wave reflection seismics was applied in close combination to engineering geology investigations in the period between 2005-2009 since depth and internal structure of the Krueng Aceh River delta (mainly young alluvial sediments) were widely unknown. Due to the requirements in the densely populated Banda Aceh region, lacking also traffic infrastructure, a small and lightweight engineering seismic setup of high mobility and high subsurface resolution capability was chosen. The S-wave land streamer system with 48 channels was applied successfully together with the ELVIS vibratory source using S- and P-waves on paved roads within the city of Banda Aceh. The performance of the S-wave system enabled the detailed seismic investigation of the shallow subsurface down to 50-150 m depth generating shaking frequencies between 20 Hz to 200 Hz. This also provides depth information extending the maximum depths of boreholes and Standard Penetrometer Testings (SPT), which could only be applied to max. 20 m depth. To integrate the results gained from all three methods, and further to provide a fast statistical analysis tool for engineering use, the Information System Engineering Geology (ISEG, BGR) was developed. This geospatial information tool includes the seismic data, all borehole information, geotechnical SPT and laboratory results from samples available in the investigation area. Thereby, the geotechnical 3D analysis of the subsurface units is enabled. The

  15. Investigation of alveolar tissue deformations using OCT combined with fluorescence microscopy

    NASA Astrophysics Data System (ADS)

    Gaertner, Maria; Cimalla, Peter; Knels, Lilla; Meissner, Sven; Schnabel, Christian; Kuebler, Wolfgang M.; Koch, Edmund

    2011-06-01

    In critical care medicine, artificial ventilation is a life saving tool providing sufficient blood oxygenation to patients suffering from respiratory failure. Essential for their survival is the use of protective ventilation strategies to prevent further lung damage due to ventilator induced lung injury (VILI). Since there is only little known about implications of lung tissue overdistension on the alveolar level, especially in the case of diseased lungs, this research deals with the investigation of lung tissue deformation on a microscale. A combined setup utilizing optical coherence tomography (OCT) and confocal fluorescence microscopy, is used to study the elastic behavior of the alveolar tissue. Three-dimensional geometrical information with voxel sizes of 6 μm × 6 μm × 11 μm (in air) is provided by OCT, structural information about localization of elastin fibers is elucidated via confocal fluorescence microscopy with a lateral resolution of around 1 μm. Imaging depths of 90 μm for OCT and 20 μm for confocal fluorescence microscopy were obtained. Dynamic studies of subpleural tissue were carried out on the basis of an in vivo mouse model post mortem, mimicking the physiological environment of an intact thorax and facilitating a window for the application of optical methods. Morphological changes were recorded by applying constant positive airway pressures of different values. With this, alveolar volume changes could clearly be recognized and quantified to form a compliance value of 3.5 • 10-6(see manuscript). The distribution of elastin fibers was detected and will be subject to further elasticity analysis.

  16. Complex investigations of Mt. Elbrus magmatic center from combination of relative gravity and strain data

    NASA Astrophysics Data System (ADS)

    Kopaev, A.; Gurbanov, A.; Milyukov, V.; Yushkin, V.

    2003-04-01

    We have carried out 2 relative gravity surveys on Mt. Elbrus using quartz Sodin gravimeters and portable GPS receivers in extremely hard conditions with precision of 0.1-0.5 mGal. Its processing included common reduction to Bouguer anomalies as well as topographic correction using DTM with 50 m resolution. Resulting Bouguer anomalies reach 150 mGal near the Elbrus summit at the height of 4600 m and could be interpreted together with previous surveys results as a sign of large and shallow magmatic chamber. We plan to do more observations in 2003 and employ modern so-called ”gravity probability tomography” methods to discriminate between magmatic chamber and supposed caldera. Preliminary results of interpretation of regional gravity field from old gravity data imply the presence of the long (some 50 km) magmatic structure associated with the main magma-generating fault system connecting three magmatic centers in region young and sleeping (Mt. Elbrus, last eruption 1700 years ago), old Syltran (10 000 years) and Tchegem (25 000 years). The same magmatic structure is clearly visible from careful analysis of the tidal strain data from large Baksan laser strain meter recorded during 1998-2002 and processed using the combination of PRETERNA, TSOFT and ETERNA programs with careful taking into account for atmospheric and temperature perturbations. After applying the correction for tidal deformations of topography, resulting anomaly reaches 20 % - 25 % and could be explained by reducing the DVp/Vp ratio by 25 %. Future plans include adding of magnetic and resistivity data that are already available for Mt. Elbrus area. Our investigations have been supported by the RFBR grants ## 02-05-65012 and 00-05-64882.

  17. Improving archaeological site analysis: a rampart in the middle Orkhon Valley investigated with combined geoscience techniques

    NASA Astrophysics Data System (ADS)

    Grützner, C.; Bemmann, J.; Berking, J.; Frechen, M.; Klinger, R.; Klitzsch, N.; Linzen, S.; Mackens, S.; Oczipka, M.; Piezonka, H.; Reichert, S.; Schneider, M.; Schütt, B.

    2012-08-01

    The Orkhon Valley in the Central Mongolia was included in the World Heritage list in 2004. It hosts multiple archaeological sites from Palaeolithic to recent times, which can contribute to the reconstruction of settlement history in this part of the Eurasian Steppe landscape. Almost 100 archaeological sites from prehistoric and historic times including ramparts and khirigsuurs were investigated in five field campaigns from 2008 to 2010 in the middle and upper Orkhon Valley. One site, MOR-2 (Dörvölzhin), proved especially difficult to date due to the lack of sufficient archaeological surface finds, and its role within a manifold of walled enclosures from different times in the study area remained unclear. Therefore, different techniques of archaeology, geophysics and geoarchaeology were combined at MOR-2 in order to determine a comprehensive picture about its timing, archaeological meaning, and environmental history. Information on topographical setting and morphometry of the rampart was gathered by an octocopter equipped with a high-resolution range finder camera. We achieved a high-resolution DEM that allowed us to map the rampart in detail and this served as a base map for all other investigations. SQUID magnetometry, ground-penetrating radar, and electric resistivity measurements (capacitive coupled geoelectrics) were subsequently used to detect archaeological remains and to characterize the sediment distribution of the inner part of the enclosure and the ramparts themselves. The data show that the construction of the walls is similar to well-known Uighur neighbouring sites. Man-made sub-surface structures or bigger finds could not be detected. Sediment cores were drilled in a nearby meander, covering 3000 years BP. The analysis of the strata in terms of elemental composition (P, N, Mn, Fe, etc) revealed an increase of organic content in Medieval times, whereas the allochthonous filling of the back water must have started around the beginning of the 6th

  18. Selenium Sequestration in a Cationic Layered Rare Earth Hydroxide: A Combined Batch Experiments and EXAFS Investigation.

    PubMed

    Zhu, Lin; Zhang, Linjuan; Li, Jie; Zhang, Duo; Chen, Lanhua; Sheng, Daopeng; Yang, Shitong; Xiao, Chengliang; Wang, Jianqiang; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao

    2017-08-01

    Selenium is of great concern owing to its acutely toxic characteristic at elevated dosage and the long-term radiotoxicity of (79)Se. The contents of selenium in industrial wastewater, agricultural runoff, and drinking water have to be constrained to a value of 50 μg/L as the maximum concentration limit. We reported here the selenium uptake using a structurally well-defined cationic layered rare earth hydroxide, Y2(OH)5Cl·1.5H2O. The sorption kinetics, isotherms, selectivity, and desorption of selenite and selenate on Y2(OH)5Cl·1.5H2O at pH 7 and 8.5 were systematically investigated using a batch method. The maximum sorption capacities of selenite and selenate are 207 and 124 mg/g, respectively, both representing the new records among those of inorganic sorbents. In the low concentration region, Y2(OH)5Cl·1.5H2O is able to almost completely remove selenium from aqueous solution even in the presence of competitive anions such as NO3(-), Cl(-), CO3(2-), SO4(2-), and HPO4(2-). The resulting concentration of selenium is below 10 μg/L, well meeting the strictest criterion for the drinking water. The selenate on loaded samples could be desorbed by rinsing with concentrated noncomplexing NaCl solutions whereas complexing ligands have to be employed to elute selenite for the material regeneration. After desorption, Y2(OH)5Cl·1.5H2O could be reused to remove selenate and selenite. In addition, the sorption mechanism was unraveled by the combination of EDS, FT-IR, Raman, PXRD, and EXAFS techniques. Specifically, the selenate ions were exchanged with chloride ions in the interlayer space, forming outer-sphere complexes. In comparison, besides anion exchange mechanism, the selenite ions were directly bound to the Y(3+) center in the positively charged layer of [Y2(OH)5(H2O)](+) through strong bidentate binuclear inner-sphere complexation, consistent with the observation of the higher uptake of selenite over selenate. The results presented in this work confirm that the

  19. Investigating the Watukosek fault system using combined geophysical methods around Lusi eruption site

    NASA Astrophysics Data System (ADS)

    Husein, Alwi; Mazzini, Adriano; Lupi, Matteo; Mauri, Guillaume; Kemna, Andreas; Santosa, Bagus; Hadi, Soffian

    2017-04-01

    The Lusi mud eruption is located in the Sidoarjo area, Indonesia and is continuously erupting hot mud since its birth in May 2006. Lusi sits upon the Watukosek fault system that originates from the neighboring Arjuno-Welirang volcanic complex and develops in back-arc basin extending towards the NE of Java. After the 27-06-2006 M 6.3 earthquake this fault system was reactivated and hosted numerous hot mud eruptions in the Sidoarjo area. Until now, no targeted investigations have been conducted to understand the geometry of the faults system crossing the Lusi eruption site. A comprehensive combined electrical resistivity and self-potential (SP) survey was performed in the 7 km2 area inside the Lusi embankment that was built to contain the erupted mud and to prevent flooding of the surrounding roads and settlements. Additional profiles were also acquired outside the SW part of the embankment towards the Watukosek escarpment and on the west of Lusi. The goal of the geophysical survey is to map the near-surface occurrence of the Watukosek fault system, delineate its spatial pattern, and monitor its development. In total nine lines of resistivity measurements using Wenner and Wenner-Schlumberger configuration and SP measurements using roll-along technique were completed. The resistivity data were inverted into 2-D resistivity images with a maximum penetration depth of almost 200 m. The profiles collected in the region inside the Lusi embankment consistently reveal the presence of a region of 300 m in width (between 30-90 m depth) characterized by anomalous resistivities, which are lower than the values observed in the surrounding area. The profiles outside the embankment show consistent results. Here the contrast between anomalous low resistivity zones (perceived as the fault system) and the surrounding area with higher resistivity value is more pronounced. The profiles also shows that the distance between the main crater and the boundary of mud body observed on the

  20. Experimental investigation on yield behavior of PMMA under combined shear-compression loading

    NASA Astrophysics Data System (ADS)

    Zhang, Jianjun; Jin, Tao; Wang, Zhihua; Zhao, Longmao

    The work experimentally studies the yielding behavior of polymethyl methacrylate (PMMA) at three different loading rates through a developed combined shear-compression test technique which contains a universal materials testing machine, mental blocks with double beveled ends (combined shear-compression loading setup) and a column sleeve made of Teflon. The results show that the failure loci agree well with theoretical predictions involving the strain rate dependence, which indicates the validity of this test method. Additionally, the experimental data enrich the previous experimental work about polymer yielding surface in the principle stress space.

  1. Is Combining Child Labour and School Education the Right Approach? Investigating the Cambodian Case

    ERIC Educational Resources Information Center

    Kim, Chae-Young

    2009-01-01

    The paper considers whether letting children combine work and school is a valid and effective approach in Cambodia. Policy makers' suggestions that child labour should be allowed to some extent due to household poverty appear ungrounded as no significant relation between children's work and household poverty is found while arranging school…

  2. [Clinical investigation: the intraocular pressure-lowering efficacy and safety of brinzolamide combined with betaxolol].

    PubMed

    Minbin, Yu; Fang, Min; Ge, Jian; Huang, Shengsong

    2005-12-01

    To evaluate the intraocular pressure (IOP) lowering efficacy and safety of Brinzolamide combined with Betaxolol for the Chinese glaucomatous patients. Twenty-six glaucoma patients (44 eyes) diagnosed as primary open angle glaucoma, ocular hypertension and remnant glaucoma (IOP remained high after antiglaucomatous surgeries) were recruited as a research team. After a washing out phase, Brinzolamide 1% combined with Betaxolol 0.25% were administered to them twice daily [(8 +/- 1) o'clock in the morning and (20 +/- 1) o'clock in the evening] respectively. The observing duration was 2 months. The IOP and the side effect before and after the administration of the eyedrops were observed. The average IOP lowering ranged from 5.03 mm Hg to 6.65 mm Hg (1 mm Hg = 0.133 kPa) (20.55% to 37.30%) after the administration of Brinzolamide 1% combined with Betamolol 0.25% twice a day. The IOP lowering effect was stable and the patients complained little uncomfortable. Brinzolamide combined with Betaxolol has significant IOP lowering effect and few side effect for the Chinese people. Brinzolamide can be used as the main medication for the treatment of glaucoma.

  3. Combined investigation of Eddy current and ultrasonic techniques for composite materials NDE

    NASA Technical Reports Server (NTRS)

    Davis, C. W.; Nath, S.; Fulton, J. P.; Namkung, M.

    1993-01-01

    Advanced composites are not without trade-offs. Their increased designability brings an increase in the complexity of their internal geometry and, as a result, an increase in the number of failure modes associated with a defect. When two or more isotropic materials are combined in a composite, the isotropic material failure modes may also combine. In a laminate, matrix delamination, cracking and crazing, and voids and porosity, will often combine with fiber breakage, shattering, waviness, and separation to bring about ultimate structural failure. This combining of failure modes can result in defect boundaries of different sizes, corresponding to the failure of each structural component. This paper discusses a dual-technology NDE (Non Destructive Evaluation) (eddy current (EC) and ultrasonics (UT)) study of graphite/epoxy (gr/ep) laminate samples. Eddy current and ultrasonic raster (Cscan) imaging were used together to characterize the effects of mechanical impact damage, high temperature thermal damage and various types of inserts in gr/ep laminate samples of various stacking sequences.

  4. Investigating Academic Phraseology through Combinations of Very Frequent Words: A Methodological Exploration

    ERIC Educational Resources Information Center

    Vincent, Benet

    2013-01-01

    This study demonstrates an approach based on findings from phraseology which can be used to identify potentially useful phrases in a text by starting with continuous or discontinuous sequences of very frequent words. These combinations are then searched in a corpus of academic texts to find their common collocates and ascertain whether the…

  5. Investigating Academic Phraseology through Combinations of Very Frequent Words: A Methodological Exploration

    ERIC Educational Resources Information Center

    Vincent, Benet

    2013-01-01

    This study demonstrates an approach based on findings from phraseology which can be used to identify potentially useful phrases in a text by starting with continuous or discontinuous sequences of very frequent words. These combinations are then searched in a corpus of academic texts to find their common collocates and ascertain whether the…

  6. Is Combining Child Labour and School Education the Right Approach? Investigating the Cambodian Case

    ERIC Educational Resources Information Center

    Kim, Chae-Young

    2009-01-01

    The paper considers whether letting children combine work and school is a valid and effective approach in Cambodia. Policy makers' suggestions that child labour should be allowed to some extent due to household poverty appear ungrounded as no significant relation between children's work and household poverty is found while arranging school…

  7. A material combination principle for highly efficient polymer solar cells investigated by mesoscopic phase heterogeneity.

    PubMed

    Yan, Han; Li, Denghua; He, Chang; Wei, Zhixiang; Yang, Yanlian; Li, Yongfang

    2013-12-07

    Organic solar cells have become a promising energy conversion candidate because of their unique advantages. Novel fullerene derivatives, as a common acceptor, can increase power conversion efficiency (PCE) by increasing the open-circuit voltage. As a representative acceptor, Indene-C60 bisadduct (ICBA) can reach high efficiency with poly(3-hexylthiophene) (P3HT). On the other hand, the novel synthesized polymers mainly aimed to broaden the optical absorption range have steadily promoted efficiency to higher than 9%. However, it is challenging to obtain the desired result by simply combining ICBA with other high-efficiency donors. Thus, P3HT or a high-efficiency polymer PBDTTT-C-T (copolymer of thienyl-substituted BDT with substituted TT) is used as donor and PCBM or ICBA as acceptor in this article to clarify the mechanism behind these materials. The optical and photovoltaic properties of the materials are studied for pair-wise combination. Among these four material groups, the highest PCE of 6.2% is obtained for the PBDTTT-C-T/PCBM combination while the lowest PCE of 3.5% is obtained for the PBDTTT-C-T/ICBA combination. The impact of the mesoscopic heterogeneity on the local mesoscopic photoelectric properties is identified by photo-conductive AFM (pc-AFM), and the consistence between the mesoscopic properties and the macroscopic device performances is also observed. Based on these results, an interface combined model is proposed based on the mesoscopic phase heterogeneity. This study provides a new view on the rational selection of photovoltaic materials, where, aside from the traditional energy level and absorption spectrum matching, the matching of mesoscopic heterogeneity must also be considered.

  8. Combined structural and magnetotelluric investigation across the West Fault Zone in northern Chile

    NASA Astrophysics Data System (ADS)

    Hoffmann-Rothe, Arne

    2002-08-01

    The characterisation of the internal architecture of large-scale fault zones is usually restricted to the outcrop-based investigation of fault-related structural damage on the Earth's surface. A method to obtain information on the downward continuation of a fault is to image the subsurface electrical conductivity structure. This work deals with such a combined investigation of a segment of the West Fault, which itself is a part of the more than 2000 km long trench-linked Precordilleran Fault System in the northern Chilean Andes. Activity on the fault system lasted from Eocene to Quaternary times. In the working area (22°04'S, 68°53'W), the West Fault exhibits a clearly defined surface trace with a constant strike over many tens of kilometers. Outcrop condition and morphology of the study area allow ideally for a combination of structural geology investigation and magnetotelluric (MT) / geomagnetic depth sounding (GDS) experiments. The aim was to achieve an understanding of the correlation of the two methods and to obtain a comprehensive view of the West Fault's internal architecture. Fault-related brittle damage elements (minor faults and slip-surfaces with or without striation) record prevalent strike-slip deformation on subvertically oriented shear planes. Dextral and sinistral slip events occurred within the fault zone and indicate reactivation of the fault system. Youngest deformation increments mapped in the working area are extensional and the findings suggest a different orientation of the extension axes on either side of the fault. Damage element density increases with approach to the fault trace and marks an approximately 1000 m wide damage zone around the fault. A region of profound alteration and comminution of rocks, about 400 m wide, is centered in the damage zone. Damage elements in this central part are predominantly dipping steeply towards the east (70-80°). Within the same study area, the electrical conductivity image of the subsurface was

  9. The combined use of pollen and soil analyses in a search and subsequent murder investigation.

    PubMed

    Brown, Antony G; Smith, Andrew; Elmhurst, Orlando

    2002-05-01

    This case report shows how soil analyses (particularly petrology) can be used in conjunction with pollen in order to refine or strengthen an association. Soil samples from a car believed to have been used by the suspect in a missing persons case was subjected to soil and pollen analyses. The soil characteristics and petrology were used to redefine the search area using geology and soils maps, the pollen and vegetative remains were used to target woodlands with a particular species mix. As a result two bodies were located and the environmental evidence was used in the subsequent trial. In this case the history of the vehicle was well known and the wheel arches and footwells provided reliable soil traps. The advantage of combining the techniques is that soil evidence (both mineralogy and other inclusions) provides a geological/soils match while the pollen provides independent evidence of vegetation type providing a combination that may be rare or unique.

  10. Are isatin and isatoic anhydride antiaromatic and aromatic respectively? A combined experimental and theoretical investigation.

    PubMed

    Matos, M Agostinha R; Miranda, Margarida S; Morais, Victor M; Liebman, Joel F

    2003-07-21

    This paper reports the results of our thermochemical/calorimetric determination of the enthalpies of combustion, phase change, and formation of isatin, isatoic anhydride, and N-methylisatin. The density functional calculations accompanied by vibrational and thermal corrections were also performed for these compounds and N-methylisatoic anhydride. Through a combination of theoretical calculations and associated isodesmic reactions, we have deduced that isatin has some antiaromatic character and isatoic anhydride enjoys some aromatic stabilization.

  11. Investigation of middle ear anatomy and function with combined video otoscopy-phase sensitive OCT

    PubMed Central

    Park, Jesung; Cheng, Jeffrey T.; Ferguson, Daniel; Maguluri, Gopi; Chang, Ernest W.; Clancy, Caitlin; Lee, Daniel J.; Iftimia, Nicusor

    2016-01-01

    We report the development of a novel otoscopy probe for assessing middle ear anatomy and function. Video imaging and phase-sensitive optical coherence tomography are combined within the same optical path. A sound stimuli channel is incorporated as well to study middle ear function. Thus, besides visualizing the morphology of the middle ear, the vibration amplitude and frequency of the eardrum and ossicles are retrieved as well. Preliminary testing on cadaveric human temporal bone models has demonstrated the capability of this instrument for retrieving middle ear anatomy with micron scale resolution, as well as the vibration of the tympanic membrane and ossicles with sub-nm resolution. PMID:26977336

  12. Investigating groundwater pollution from different sources with combined biological and chemical methods.

    PubMed

    Michaelidou, S C; Akkelidou, D; Ziegler, P

    1995-10-27

    This paper reviews groundwater pollution caused by the disposal of untreated effluents of a dye factory located 20 km to the west of Nicosia (Cyprus). The task of the work was to investigate the nature of the pollution and differentiate it from other possible pollution sources in the area. It focused on toxicity testing and biofractionation in order to address the most toxic pollutants and, on the evaluation of GC/FID profiles for investigating the connection between groundwater pollution and the effluents. This connection was successful due to a multiple comparison amongst the GC/FID profiles resulting from the polluted groundwater, the water from the reference areas and the dye effluents.

  13. Systematical investigation of a combinative particle size reduction technology for production of resveratrol nanosuspensions.

    PubMed

    Liu, Tao; Müller, Rainer H; Möschwitzer, Jan P

    2017-07-01

    Nanosizing is frequently used as formulation approach to increase the bioavailability of poorly water-soluble drugs. However, standard size reduction processes can be relatively time-consuming. It was found that the modification of the physical properties of a starting material by means of spray-drying can be used to improve the effectiveness of a subsequently performed high pressure homogenization. Such a process belongs to the combinative particle size reduction methods and is also referred to as H 42 process. Based on previous studies, it was hypothesized that the improved efficiency was a result of reduced crystallinity of the modified drug. The present study was conducted in order to asses this hypothesis in a systematical manner by applying design of experiment (DoE) principles. Resveratrol was selected as model compound for this study. It was processed by both standard high pressure homogenization and by a combinative particle size reduction process (the H42 process). An optimized resveratrol/surfactant ratio for the spray-dried intermediate was identified by using the response-surface methodology. The optimization led to a nanosuspension with a mean particle size of 192 nm, which is much smaller than the mean particle size of 569 nm when standard high pressure homogenization was used. Both predominately crystalline and predominately amorphous solids resulted from the spray-drying process. In contrast to the initial hypothesis, the smallest particle sizes were achieved by processing predominately crystalline intermediate with high pressure homogenization.

  14. Combining chemical data with GIS and PCA to investigate Phoenician-Punic Cu-metallurgy

    NASA Astrophysics Data System (ADS)

    Celauro, Angela; Schiavon, Nick; Brunetti, Antonio; Manfredi, Lorenza-Ilia; Susanna, Fiammetta; Dekayir, Abdelilah; Graziani, Valerio; Pargny, Dominique; Ferro, Daniela

    2014-03-01

    This study focusses on the development and application of an innovative protocol which combines chemical data, GIS (geographical information system) and PCA, involving numeric (chemical composition) and categorical (typology of object, archaeological context, chronology and geographical areas) variables, as a simple tool to help in the visualisation and interpretation of large multidisciplinary datasets on Cu-based alloy archaeological artefacts influenced by Phoenician-Punic contacts. The protocol is a useful tool for highlighting existing connections between specific alloy chemical compositions, the location of the original settlement where the artefact had been produced and the proximity to mining resources, waterways, and allochthonous presence such as, in the specific case of this study, the Phoenician and Punic influence in the Iberian bronze production during the Late Bronze Age-Iron Age. The protocol was tested successfully in a case study concerning the precise dating and provenance of bronze statuettes of unknown age and provenance from the Evora Museum collection in Southern Portugal where it confirmed and further refined earlier hypotheses based solely on archaeological and/or chemical studies. The results were interpreted with a unique perspective, to validate the GIS system in combination with experimental chemical-physical data to yield the identification of metallurgical sites of bronze production.

  15. A combined NMR and computational approach to investigate peptide binding to a designed Armadillo repeat protein.

    PubMed

    Ewald, Christina; Christen, Martin T; Watson, Randall P; Mihajlovic, Maja; Zhou, Ting; Honegger, Annemarie; Plückthun, Andreas; Caflisch, Amedeo; Zerbe, Oliver

    2015-05-22

    The specific recognition of peptide sequences by proteins plays an important role both in biology and in diagnostic applications. Here we characterize the relatively weak binding of the peptide neurotensin (NT) to the previously developed Armadillo repeat protein VG_328 by a multidisciplinary approach based on solution NMR spectroscopy, mutational studies, and molecular dynamics (MD) simulations, totaling 20μs for all MD runs. We describe assignment challenges arising from the repetitive nature of the protein sequence, and we present novel approaches to address them. Partial assignments obtained for VG_328 in combination with chemical shift perturbations allowed us to identify the repeats not involved in binding. Their subsequent elimination resulted in a reduced-size binder with very similar affinity for NT, for which near-complete backbone assignments were achieved. A binding mode suggested by automatic docking and further validated by explicit solvent MD simulations is consistent with paramagnetic relaxation enhancement data collected using spin-labeled NT. Favorable intermolecular interactions are observed in the MD simulations for the residues that were previously shown to contribute to binding in an Ala scan of NT. We further characterized the role of residues within the N-cap for protein stability and peptide binding. Our multidisciplinary approach demonstrates that an initial low-resolution picture for a low-micromolar-peptide binder can be refined through the combination of NMR, protein design, docking, and MD simulations to establish its binding mode, even in the absence of crystallographic data, thereby providing valuable information for further design.

  16. Combined 5' UTR RFLP analysis and VP1 sequencing for epidemic investigation of enteroviruses.

    PubMed

    Kyriakopoulou, Zaharoula; Tsolis, Kostas; Pliaka, Vaia; Tsakogiannis, Dimitris; Ruether, Irina Georgia Anna; Gartzonika, Constantina; Levidiotou-Stefanou, Stamatina; Markoulatos, Panayotis

    2013-01-01

    Enteroviruses, the main cause of aseptic meningitis, consist of 100 serotypes, and many of them have been associated with large outbreaks. In the present study, a comparison of RFLP analysis of the 5' untranslated region (5'UTR) and sequencing of both the 5'UTR and VP1 regions was conducted for epidemiological linkage of 27 clinical enterovirus strains. The clinical enterovirus strains were clustered into five restriction profile groups. Even though the restriction profile clusters of clinical isolates were not related to those of the respective prototype strains, epidemiological relationships between the members of each cluster were observed. The restriction profile clusters in the 5'UTR corresponded to the phylogenetic clusters in the VP1 genomic region. The incongruence between the topology of Gior strain in 5'UTR and VP1 phylogenetic trees indicates a recombination event. The proposed RFLP assay in combination with VP1 sequencing can offer crucial epidemiological information about the circulating enteroviruses.

  17. Investigation of dielectric properties of different cake formulations during microwave and infrared-microwave combination baking.

    PubMed

    Sakiyan, Ozge; Sumnu, Gulum; Sahin, Serpil; Meda, Venkatesh

    2007-05-01

    Dielectric properties can be used to understand the behavior of food materials during microwave processing. Dielectric properties influence the level of interaction between food and high frequency electromagnetic energy. Dielectric properties are, therefore, important in the design of foods intended for microwave preparation. In this study, it was aimed to determine the variation of dielectric properties of different cake formulations during baking in microwave and infrared-microwave combination oven. In addition, the effects of formulation and temperature on dielectric properties of cake batter were examined. Dielectric constant and loss factor of cake samples were shown to be dependent on formulation, baking time, and temperature. The increase in baking time and temperature decreased dielectric constant and loss factor of all formulations. Fat content was shown to increase dielectric constant and loss factor of cakes.

  18. An Investigation of the Combined Effect of Stress, Fatigue and Workload on Human Performance: Position Paper

    NASA Technical Reports Server (NTRS)

    Mock, Jessica

    2005-01-01

    Stress, fatigue, and workload affect worker performance. NSF reported that 61% of respondents state losing concentration at work while 79% occasionally or frequently made errors as a result of being fatigued. Shift work, altered work schedules, long hours of continuous wakefulness, and sleep loss can create sleep and circadian disruptions that degrade waking fundions causing stress and fatigue. Review of the literature has proven void of information that links the combined effects of fatigue, stress, and workload to human performance. This paper will address which occupational factors within stress, fatigue, and workload were identified as occupational contributors to performance changes. The results of this research will be apglied to underlying models and algorithms that will help predict performance changes in control room operators.

  19. An Investigation of the Combined Effect of Stress, Fatigue and Workload on Human Performance: Position Paper

    NASA Technical Reports Server (NTRS)

    Mock, Jessica

    2005-01-01

    Stress, fatigue, and workload affect worker performance. NSF reported that 61% of respondents state losing concentration at work while 79% occasionally or frequently made errors as a result of being fatigued. Shift work, altered work schedules, long hours of continuous wakefulness, and sleep loss can create sleep and circadian disruptions that degrade waking fundions causing stress and fatigue. Review of the literature has proven void of information that links the combined effects of fatigue, stress, and workload to human performance. This paper will address which occupational factors within stress, fatigue, and workload were identified as occupational contributors to performance changes. The results of this research will be apglied to underlying models and algorithms that will help predict performance changes in control room operators.

  20. Combined geophysical, geochemical and geological investigations of geothermal reservoir characteristics in Lower Saxony, Germany

    NASA Astrophysics Data System (ADS)

    Hahne, B.; Thomas, R.

    2012-04-01

    The North German basin provides a significant geothermal potential, although temperature gradients are moderate. However, deep drilling up to several thousand meters is required to reach temperatures high enough for efficient generation of geothermal heat and electric power. In these depths we have not much information yet about relevant physical properties like porosity or permeability of the rock formations. Therefore the costs of developing a geothermal reservoir and the risk of missing the optimum drilling location are high. The collaborative research association "Geothermal Energy and High Performance Drilling" (gebo) unites several universities and research institutes in Lower Saxony, Germany. It aims at a significant increase of economic efficiency by introducing innovative technology and high tech materials resisting temperatures up to 200 °C in the drilling process. Furthermore, a better understanding of the geothermal reservoir is essential. gebo is structured into four main fields: Drilling Technology, Materials, Technical Systems and Geosystem. Here, we show the combined work of the Geosystem group, which focuses on the exploration of geological fault zones as a potential geothermal reservoir as well as on modeling the stress field, heat transport, coupled thermo-hydro-mechanical processes, geochemical interactions and prediction of the long-term behavior of the reservoir. First results include combined seismic and geoelectric images of the Leinetalgraben fault system, a comparison of seismic images from P- and S-wave measurements, mechanical properties of North German rocks from field and laboratory measurements as well as from drill cores, seismological characterization of stimulated reservoirs, a thermodynamic "gebo" database for modeling hydrogeochemical processes in North German formation waters with high salinity and at high temperatures, stress models for specific sites in northern Germany, and modeling results of permeability and heat transport

  1. Combined experimental and computational investigation of sterile air flows in surgical environments

    NASA Astrophysics Data System (ADS)

    McNeill, James; Hertzberg, Jean; Zhai, Zhiqiang

    2010-11-01

    Surgical environments in hospitals utilize downward, low-turbulence, sterile air flow across the patient to inhibit transmission of infectious diseases to the surgical site. Full-scale laboratory experiments using particle image velocimetry were conducted to investigate the air distribution above the patient area. Computational fluid dynamics models were developed to further investigate the air distribution within the operating room in order to determine the impact of ventilation design of airborne infectious disease pathways. Both Reynolds-averaged Navier-Stokes equations and large eddy simulation techniques are currently being used in the computational modeling to study the effect of turbulence modeling on the indoor air distribution. CFD models are being calibrated based on the experimental data and will be used to study the probability of infectious particles entering the sterile region of the room.

  2. ERS-1 Investigations of Southern Ocean Sea Ice Geophysics Using Combined Scatterometer and SAR Images

    NASA Technical Reports Server (NTRS)

    Drinkwater, M.; Early, D.; Long, D.

    1994-01-01

    Coregistered ERS-1 SAR and Scatterometer data are presented for the Weddell Sea, Antarctica. Calibrated image backscatter statistics are extracted from data acquired in regions where surface measurements were made during two extensive international Weddell Sea experiments in 1992. Changes in summer ice-surface conditions, due to temperature and wind, are shown to have a large impact on observed microwave backscatter values. Winter calibrated backscatter distributions are also investigated as a way of describing ice thickness conditions in different location during winter. Coregistered SAR and EScat data over a manned drifting ice station are used to illustrate the seasonal signature changes occurring during the fall freeze-up transition.

  3. A combined deuterium NMR and quantum chemical investigation of inequivalent hydrogen bonds in organic solids.

    PubMed

    Webber, Renee; Penner, Glenn H

    2012-01-01

    Deuterium magic angle spinning (MAS) NMR spectroscopy and quantum chemical calculations are used to investigate organic solids in which inequivalent hydrogen bonds are present. The use of (2)H MAS allows one to measure the chemical shift, δ, quadrupolar coupling constant, C(Q), and asymmetry in the quadrupolar interaction, η(Q), for each type of hydrogen bond present in the system. Quantum chemical calculations of the magnetic shielding (σ, which can be related to δ) and the electric field gradient (EFG, which can be related to C(Q)) are compared to the experimental results and are discussed with respect to the relative strengths of the hydrogen bonds within each system.

  4. ERS-1 Investigations of Southern Ocean Sea Ice Geophysics Using Combined Scatterometer and SAR Images

    NASA Technical Reports Server (NTRS)

    Drinkwater, M.; Early, D.; Long, D.

    1994-01-01

    Coregistered ERS-1 SAR and Scatterometer data are presented for the Weddell Sea, Antarctica. Calibrated image backscatter statistics are extracted from data acquired in regions where surface measurements were made during two extensive international Weddell Sea experiments in 1992. Changes in summer ice-surface conditions, due to temperature and wind, are shown to have a large impact on observed microwave backscatter values. Winter calibrated backscatter distributions are also investigated as a way of describing ice thickness conditions in different location during winter. Coregistered SAR and EScat data over a manned drifting ice station are used to illustrate the seasonal signature changes occurring during the fall freeze-up transition.

  5. Investigation of group IVA elements combined with HAXPES and first-principles calculations

    NASA Astrophysics Data System (ADS)

    Cui, Y.-T.; Li, G.-L.; Oji, H.; Son, J.-Y.

    2014-04-01

    The core level and valence band spectra of group IVA elements were investigated with hard x-ray photoemission spectroscopy (HAXPES) photon energy of 7.939 keV by bulk sensitive manner. The survey and valance band spectra were presented, relative peaks intensity are discussed by thinking about inelastic mean free path (IMFP) and photoionization cross section of photoelectrons (PICS). In order to understand bulk band structures, valence bands are compared with the calculated ones by considering PICS, IMFP and total energy resolution. The calculated results by GGA, HSE06 and GW0 methods are simply discussed by comparing with experiment spectra.

  6. Thenature of marbled Terra Sigillata slips: a combined mu XRF and mu XRD investigation

    SciTech Connect

    Leon, Yoanna; Sciau, Philippe; Goudeau, Philippe; Tamura, Nobumichi; Webb, Sam; Mehta, Apurva

    2009-01-31

    In addition to the red terra sigillata production, the largest Gallic workshop (La Graufesenque) made a special type of terra sigillata, called 'marbled' by the archaeologists. Produced exclusively on this site, this pottery is characterized by a surface finish made of a mixture of yellow and red slips. Because the two slips are intimately mixed, it is difficult to obtain the precise composition of one of the two constituents without contamination by the other. In order to obtain very precise correlation at the appropriate scale between the color aspect and the element and mineralogical phase distributions in the slip, combined electron microprobe, x-ray micro spectroscopies and micro diffraction on cross sectional samples were performed. The aim is to discover how potters were able to produce this unique type of terra sigillata and especially this slip showing an intense yellow color. Results show that the yellow component of marbled sigillata was made from a titanium-rich clay preparation. The color is related to the formation of a pseudobrookite (TiFe2O5) phase in the yellow part of the slip, the main characteristics of that structure being considered nowadays as essential for the fabrication of stable yellow ceramic pigments. Its physical properties such as high refractive indices and a melting point higher than that of most silicates widely used as ceramic colorants are indeed determinant for this kind of applications. Finally, the red parts have a similar composition (elementary and mineralogical) to the one of standard red slip.

  7. Combined in vivo and in silico investigations of activation of glycolysis in contracting skeletal muscle

    PubMed Central

    Groenendaal, W.; Wessels, B.; Wiseman, R. W.; Hilbers, P. A. J.; Nicolay, K.; Prompers, J. J.; Jeneson, J. A. L.; van Riel, N. A. W.

    2013-01-01

    The hypothesis was tested that the variation of in vivo glycolytic flux with contraction frequency in skeletal muscle can be qualitatively and quantitatively explained by calcium-calmodulin activation of phosphofructokinase (PFK-1). Ischemic rat tibialis anterior muscle was electrically stimulated at frequencies between 0 and 80 Hz to covary the ATP turnover rate and calcium concentration in the tissue. Estimates of in vivo glycolytic rates and cellular free energetic states were derived from dynamic changes in intramuscular pH and phosphocreatine content, respectively, determined by phosphorus magnetic resonance spectroscopy (31P-MRS). Computational modeling was applied to relate these empirical observations to understanding of the biochemistry of muscle glycolysis. Hereto, the kinetic model of PFK activity in a previously reported mathematical model of the glycolytic pathway (Vinnakota KC, Rusk J, Palmer L, Shankland E, Kushmerick MJ. J Physiol 588: 1961–1983, 2010) was adapted to contain a calcium-calmodulin binding sensitivity. The two main results were introduction of regulation of PFK-1 activity by binding of a calcium-calmodulin complex in combination with activation by increased concentrations of AMP and ADP was essential to qualitatively and quantitatively explain the experimental observations. Secondly, the model predicted that shutdown of glycolytic ATP production flux in muscle postexercise may lag behind deactivation of PFK-1 (timescales: 5–10 s vs. 100–200 ms, respectively) as a result of accumulation of glycolytic intermediates downstream of PFK during contractions. PMID:23114964

  8. Investigating integument alterations in cubicle housed dairy cows: which types and locations can be combined?

    PubMed

    Brenninkmeyer, C; Dippel, S; Brinkmann, J; March, S; Winckler, C; Knierim, U

    2016-02-01

    In this study, a data set of 2922 lactating dairy cows in a sample of 64 conventional and organic dairy farms with Holstein Friesian cows in Germany and 31 conventional dairy farms with the dual purpose breed Fleckvieh in Austria was used to screen for correlations between the occurrences of different integument alterations. All cows were housed in cubicle systems. Alterations were classified as hairless areas (H), scabs or wounds (W) or swellings (S) and assessed at 15 locations of the cows' body. Highest median farm prevalences were found at the joints of the legs, which are already commonly included in studies on integumentary alterations: median farm prevalence was 83% for S and 48% for H at the carpal joints, followed by H (38%) and S (20%) at the lateral tarsal joints and H at the lateral calcanei (20%). Additional body parts with notable median prevalences for H were the hip bones (13%), pin bones (12%) and sacrum (11%). Three cluster models, with 2, 5 and 14 clusters, were built by hierarchical clustering of prevalences of the 30 most relevant alteration location combinations. Clustering revealed that location overruled type of lesion in most cases. Occasionally, clusters represented body segments significantly distant from each other, for example the carpal joints and lateral and dorsal calcanei. However, some neighbouring areas such as the medial and lateral hock area should be analysed separately from each other for causal analysis as they formed distinct clusters.

  9. Adhesive improvement in optical coherence tomography combined with confocal microscopy for class V cavities investigations

    NASA Astrophysics Data System (ADS)

    Rominu, Mihai; Sinescu, Cosmin; Negrutiu, Meda L.; Rominu, Roxana O.; Pop, Daniela M.; Topala, Florin; Stoia, Adelina; Petrescu, Emanuela; Bradu, Adrian; Dobre, George; Podoleanu, Adrian G.

    2010-03-01

    The purpose of this study is to present a non invasive method for the marginal adaptation evaluation in class V composite restorations. Standardized class V cavities prepared in human extracted teeth were filled with composite resin (Premise, Kerr). The specimens were thermocycled. The interfaces were examined by Optical Coherence Tomography (OCT) combined with confocal microscopy and fluorescence. The optical configuration uses two single mode directional couplers with a superluminiscent diode as the source at 1300 nm. The scanning procedure is similar to that used in any confocal microscope, where the fast scanning is en-face (line rate) and the depth scanning is much slower (at the frame rate). Gaps at the interfaces as well as on the inside of the composite resin were identified. OCT has numerous advantages that justify its in vivo and in vitro use compared to conventional techniques. One of the main concerns was the fact that at the adhesive layer site it was very hard to tell the adhesive apart from material defects. For this reason the adhesive was optimized in order to be more scattering. This way we could make a difference between the adhesive layer and the material defects that could lead to microleakages.

  10. Combined Raman spectroscopic and theoretical investigation of fundamental vibrational bands of furfuryl alcohol (2-furanmethanol).

    PubMed

    Barsberg, S; Berg, R W

    2006-08-03

    Furfuryl alcohol (FA) is a promising reactive precursor for new materials. FA reaction mechanisms, that is, self-reactions or cross reactions with other substances, can be studied by vibrational spectroscopy. We present a necessary prerequisite for such studies by a Raman spectroscopic and theoretical study of FA in weakly interacting environments. It is the first study of FA vibrational properties based on density functional theory (DFT/B3LYP), and a recently proposed hybrid approach to the calculation of fundamental frequencies, which also includes an anharmonic contribution. FA occupies five different conformational states, each with more than 5% probability, and two of these dominate at T = 298 K. Excluding one frequency, the remaining ones are predicted as a weighted average over the two dominant conformers to a best RMS error of 8 cm(-1) and are qualitatively assigned. The excluded CH stretching mode is underestimated by 65 cm(-1). This may be due to a combination of an insufficient level of theory and the neglect of Fermi interactions for properly describing this type of mode.

  11. Electronic structure of the diatomic VO anion: A combined photoelectron-imaging spectroscopic and theoretical investigation

    NASA Astrophysics Data System (ADS)

    Cheng, Shi-Bo; Harmon, Christopher L.; Yang, Huan; Castleman, A. W.

    2016-12-01

    The electronic structure of the diatomic VO anion was explored by combining the photoelectron-imaging spectroscopy and high-level theoretical calculations. The electron affinity (EA) of VO is determined to be 1.244 ± 0.025 eV from the vibrationally resolved photoelectron spectrum acquired at 532 nm. The anisotropy parameter (β) for the EA defined peak is measured to be 1.59 ± 0.02, indicating that it is the 9σ electron attachment leading to the formation of the ground state of V O- . The present imaging experiment provides direct evidence that the ground state of V O- is X 3Σ- with a (3π ) 4(8σ ) 2(9σ ) 2(1δ ) 2 electron configuration, which resolves the significant discrepancy in previous experiment and theory. In addition, the molecular orbitals and bonding involved in the anionic VO cluster are also examined based on the present high-level theoretical calculations.

  12. Enhancement in dehydriding performance of magnesium hydride by iron incorporation: A combined experimental and theoretical investigation

    NASA Astrophysics Data System (ADS)

    Chen, Haipeng; Yu, Hao; Zhang, Qianqian; Liu, Bogu; Liu, Pei; Zhou, Xinpei; Han, Zongying; Zhou, Shixue

    2016-08-01

    Structural change and dehydriding mechanism of MgH2 with atomic Fe incorporation from reactive ball milling are characterized and simulated by first-principles calculation. Two kinds of hydrides β- and γ-MgH2 are formed from Mg powders under hydrogen atmosphere by 3.0 h of milling with pretreated anthracite as milling aid. Experimental studies suggest that the atomic Fe can be incorporated onto MgH2 surface by the shearing effect of Fe-based milling balls on Mg/MgH2 particles. The incorporated Fe has a high dispersity on MgH2 surface and can form atomic clusters FeH4/FeH2 by combining with H anions. The dehydriding reaction of the Fe-incorporated MgH2 begins at hydride surface and shows an enhanced performance with apparent activation energy of 110.3 kJ mol-1. Theoretical studies suggest that the incorporated Fe can act as a bridge that contributes to electron transfer from H anion to Mg cation before H2 molecule formation. The intrinsic reason of atomic Fe in catalyzing dehydriding reaction of MgH2 lies in its moderate strength of electron attraction.

  13. A combined computational and experimental investigation of Mg doped α-Fe2O3.

    PubMed

    Kosa, Monica; Barad, Hannah Noa; Singh, Vijay; Keller, David A; Shimanovich, Klimentiy; Rühle, Sven; Anderson, Assaf Y; Zaban, Arie; Major, Dan Thomas

    2016-01-14

    In the current work, pristine α-Fe2O3 metal oxide was doped with Mg in an attempt to modulate its electronic properties. To this end, we employed an experimental high throughput strategy, including scanning XRD and optical spectroscopy, which were complimented by atomistic density functional theory (DFT) calculations. The combined study reveals that at Mg/Fe atomic ratios up to ∼1/3, the bandgaps of the hematite-Mg composite materials are similar to that of the pure material. The observed bandgaps are rationalized by electronic band structure and density of states calculations. Additional rationale for the similar bandgaps in pure and doped hematite is provided by topological Bader charge analyses, which indicate that the Mg and Fe ions in the hematite matrix have similar partial atomic charges. Nonetheless, the small charge density difference between the Mg and Fe ions induces a slight spin polarization on both oxygen and Fe ions, resulting in changes in the band edges. Further charge density analyses, using charge density maps and chemical-bonding analyses with the crystal orbital Hamiltonian population scheme, indicate that Mg forms ionic bonds with the neighboring oxygen atoms. This change from iron-oxygen covalent bonds to a more ionic nature for magnesium-oxygen bonds is probably responsible for the reduction observed in the computed bulk modulus of α-Mg(0.17)Fe(1.83)O3 (193 GPa) compared to α-Fe2O3 (202 GPa).

  14. A combined use of acoustic and optical devices to investigate suspended sediment in rivers

    NASA Astrophysics Data System (ADS)

    Guerrero, Massimo; Rüther, Nils; Haun, Stefan; Baranya, Sandor

    2017-04-01

    The use of acoustic and optic devices has become more and more common for estimating suspended sediment loads in rivers. The echo intensity levels (EIL) recorded by means of an Acoustic Doppler Current Profiler (ADCP) have been applied in different methods, which provided relationships between scattering particles features derived from samples (i.e., concentration and grain size) and corresponding backscattering strength and sound attenuation. At the same time, the laser diffraction was applied by an in-stream sampler (LISST-SL) to measure suspended sediment concentration and the corresponding particle size distribution (PSD). These two techniques exhibited different limitations in terms of the measured range of concentration, sensitivity to a certain spectrum of particle sizes, and instruments deploy feasibility especially in large rivers, in a way that the use of sampled PSD by LISST-SL to validate ADCP methods may not be trivial. The aim of this study was to combine the vertical profiling of EIL by an ADCP with results from LISST-SL, eventually demonstrating the possibility of using moving ADCP measurements to detect different suspended matters along a Danube River section characterized by a small tributary junction. At the same time, this work elucidates optical to acoustic method deviations that hinders an actual validation of ADCP methods based on LISST-SL rather than with physical samplings.

  15. Experimental and modeling investigation of mass transfer during combined infrared-vacuum drying of Hayward kiwifruits.

    PubMed

    Aidani, Emad; Hadadkhodaparast, Mohammadhossein; Kashaninejad, Mahdi

    2017-05-01

    In this work, we tried to evaluate mass transfer during a combined infrared-vacuum drying of kiwifruits. Infrared radiation power (200-300 W) and system pressure (5-15 kPa), as drying parameters, are evaluated on drying characteristics of kiwifruits. Both the infrared lamp power and vacuum pressure affected the drying time of kiwifruit slices. Nine different mathematical models were evaluated for moisture ratios using nonlinear regression analysis. The results of regression analysis indicated that the quadratic model is the best to describe the drying behavior with the lowest SE values and highest R value. Also, an increase in the power led to increase in the effective moisture diffusivity between 1.04 and 2.29 × 10(-9) m(2)/s. A negative effect was observed on the ΔE with increasing in infrared power and with rising in infrared radiation power it was increased. Chroma values decreased during drying.

  16. An investigation into the effect of tenidap sodium on the pharmacokinetics of a combined oral contraceptive

    PubMed Central

    Coates, P. E.; Mesure, R.

    1995-01-01

    1 The effects of tenidap sodium and placebo on the pharmacokinetics of a combined oral contraceptive (Microgynon 30®) were evaluated in 18 healthy premenopausal women in a double-blind, cross-over study lasting two menstrual cycles. 2 Tenidap (120 mg day-1) or placebo was given for 11 days, starting within 4 days of menstruation and Microgynon 30®, containing levonorgestrel (150 μg) and ethinyloestradiol (30 μg), was administered on day 10 of tenidap therapy. 3 The mean maximum plasma levonorgestrel concentrations (Cmax), time to Cmax (tmax) and area under the plasma time-concentration curves (AUC(0,t)) did not differ between subjects given tenidap or placebo. The Cmax, tmax and AUC(0,t) values for ethinyloestradiol did not differ between tenidap and placebo recipients. Only the ethinyloestradiol Cmax showed a significant difference (P = 0.02) between menstrual cycles 1 and 2 (252.9 pg ml-1 and 271.3 pg ml-1, respectively). 4 Co-administration of tenidap and Microgynon 30® was well tolerated and no subject withdrew from the study because of side-effects. There were no side-effects considered to be related to tenidap and no clinically significant laboratory abnormalities were considered to be related to treatment. 5 The results of the study suggest that the pharmacokinetics of the oestrogen and progestin components of the oral contraceptive Microgynon 30® are unlikely to be affected by concomitant administration of tenidap. PMID:7547095

  17. Adsorption of Emerging Munitions Contaminants on Cellulose Surface: A Combined Theoretical and Experimental Investigation.

    PubMed

    Shukla, Manoj K; Poda, Aimee

    2016-06-01

    This manuscript reports results of an integrated theoretical and experimental investigation of adsorption of two emerging contaminants (DNAN and FOX-7) and legacy compound TNT on cellulose surface. Cellulose was modeled as trimeric form of the linear chain of 1 → 4 linked of β-D-glucopyranos in (4)C1 chair conformation. Geometries of modeled cellulose, munitions compounds and their complexes were optimized at the M06-2X functional level of Density Functional Theory using the 6-31G(d,p) basis set in gas phase and in water solution. The effect of water solution was modeled using the CPCM approach. Nature of potential energy surfaces was ascertained through harmonic vibrational frequency analysis. Interaction energies were corrected for basis set superposition error and the 6-311G(d,p) basis set was used. Molecular electrostatic potential mapping was performed to understand the reactivity of the investigated systems. It was predicted that adsorbates will be weakly adsorbed on the cellulose surface in water solution than in the gas phase.

  18. Experimental and computational investigation of microcrack behavior under combined environments in monocrystalline Si

    NASA Astrophysics Data System (ADS)

    Huang, W.-J.; Bringuier, S.; Paul, J.; Simmons-Potter, K.; Muralidharan, K.; Potter, B. G.

    2015-09-01

    An investigation of microindenter-induced crack evolution with independent variation of both temperature and relative humidity has been pursued in PV-grade Si wafers. Under static tensile strain conditions, an increase in subcritical crack elongation with increasing atmospheric water content was observed. To provide further insight into the potential physical and chemical conditions at the microcrack tip, micro-Raman measurements were performed. Preliminary results confirm a spatial variation in the frequency of the primary Si vibrational resonance within the cracktip region, associated with local stress state, whose magnitude is influenced by environmental conditions during the period of applied static strain. The experimental effort was paired with molecular dynamics (MD) investigations of microcrack evolution in single-crystal Si to furnish additional insight into mechanical contributions to crack elongation. The MD results demonstrate that crack-tip energetics and associated crack elongation velocity and morphology are intimately related to the crack and applied strain orientations with respect to the principal crystallographic axes. The resulting elastic strain energy release rate and the stress-strain response of the Si under these conditions form the basis for preliminary micro-scale peridynamics (PD) simulations of microcrack development under constant applied strain. These efforts will be integrated with the experimental results to further inform the mechanisms contributing to this important degradation mode in Si-based photovoltaics.

  19. A combined penetrometer-moisture probe (CPMP) for investigating hydrological properties of forested hillslopes

    NASA Astrophysics Data System (ADS)

    Masaoka, N.; Yamakawa, Y.; Kosugi, K.; Mizuyama, T.; Tsutsumi, D.

    2008-12-01

    To predict shallow landslides on steep hillslopes, adequate and precise information on the soil structure and soil water movement are indispensable. A combined penetrometer-moisture probe (CPMP) was developed for measuring vertical profiles of soil water content and penetration resistance simultaneously, and applied to figure out internal structure of the soil mantle. In this study, we measured the profiles of water content and penetration resistance with the CPMP at each of 57 points on a forested valley-side slope in Hirudani research catchment, Hodaka, central Japan. Additionally, we installed tensiometers at each point for continuous measurements of pressure heads at soil-bedrock interface. Thickness of the soil layer was highly variable throughout the slope and the bedrock depression apparently shaped a hollow. Soil water content measured with the CPMP showed high values in the lower section of the slope. The high water content region extended to the upper slope section along the hollow, roughly corresponding with the region with high values of the topographic index. Pressure heads measured with tensiometers were positive throughout the observing period at most of the points where high water contents were detected with the CPMP. At some points in the upper slope section, water contents were especially high in spite of relatively small values of the topographic index. At these points, pressure heads showed delayed peaks in comparison with hyetographs and slow recession limbs, suggesting an existence of groundwater seepage from the bedrock. The other saturated points exhibited almost no responses to hyetographs, and all of the unsaturated points had rapid peaks coinciding with rainfall peaks. In conclusion, the CPMP has a large potential to reveal hydrological processes within hillslopes by providing simultaneous observations of soil water content and penetration resistance.

  20. Investigating energetic electron precipitation through combining ground-based and balloon observations

    NASA Astrophysics Data System (ADS)

    Clilverd, Mark A.; Rodger, Craig J.; McCarthy, Michael; Millan, Robyn; Blum, Lauren W.; Cobbett, Neil; Brundell, James B.; Danskin, Donald; Halford, Alexa J.

    2017-01-01

    A detailed comparison is undertaken of the energetic electron spectra and fluxes of two precipitation events that were observed in 18/19 January 2013. A novel but powerful technique of combining simultaneous ground-based subionospheric radio wave data and riometer absorption measurements with X-ray fluxes from a Balloon Array for Relativistic Radiation-belt Electron Losses (BARREL) balloon is used for the first time as an example of the analysis procedure. The two precipitation events are observed by all three instruments, and the relative timing is used to provide information/insight into the spatial extent and evolution of the precipitation regions. The two regions were found to be moving westward with drift periods of 5-11 h and with longitudinal dimensions of 20° and 70° (1.5-3.5 h of magnetic local time). The electron precipitation spectra during the events can be best represented by a peaked energy spectrum, with the peak in flux occurring at 1-1.2 MeV. This suggests that the radiation belt loss mechanism occurring is an energy-selective process, rather than one that precipitates the ambient trapped population. The motion, size, and energy spectra of the patches are consistent with electromagnetic ion cyclotron-induced electron precipitation driven by injected 10-100 keV protons. Radio wave modeling calculations applying the balloon-based fluxes were used for the first time and successfully reproduced the ground-based subionospheric radio wave and riometer observations, thus finding strong agreement between the observations and the BARREL measurements.

  1. Colloidal diatomite, radionickel, and humic substance interaction: a combined batch, XPS, and EXAFS investigation.

    PubMed

    Sheng, Guodong; Shen, Runpu; Dong, Huaping; Li, Yimin

    2013-06-01

    This work determined the influence of humic acid (HA) and fulvic acid (FA) on the interaction mechanism and microstructure of Ni(II) onto diatomite by using batch experiments, X-ray photoelectron spectroscopy (XPS), and extended X-ray absorption fine structure (EXAFS) methods. Macroscopic and spectroscopic experiments have been combined to see the evolution of the interaction mechanism and microstructure of Ni(II) in the presence of HA/FA as compared with that in the absence of HA/FA. The results indicated that the interaction of Ni(II) with diatomite presents the expected solution pH edge at 7.0, which is modified by addition of HA/FA. In the presence of HA/FA, the interaction of Ni(II) with diatomite increased below solution pH 7.0, while Ni(II) interaction decreased above solution pH 7.0. XPS analysis suggested that the enrichment of Ni(II) onto diatomite may be due to the formation of (≡SO)2Ni. EXAFS results showed that binary surface complexes and ternary surface complexes of Ni(II) can be simultaneously formed in the presence of HA/FA, whereas only binary surface complexes of Ni(II) are formed in the absence of HA/FA, which contribute to the enhanced Ni(II) uptake at low pH values. The results observed in this work are important for the evaluation of Ni(II) and related radionuclide physicochemical behavior in the natural soil and water environment.

  2. [INVESTIGATION OF THE COMBINED DISINFECTANT EFFECT OF ULTRA-HIGH FREQUENCY ENERGY AND SILVER ON WATER IN FLOW].

    PubMed

    Klimarev, S I; Siniak, Yu E

    2015-01-01

    The paper is dedicated to the results of investigating the combined effect of ultra-high frequency (UHF) energy and silver on contaminated water. Silver was used both in the ion form at the minimal concentration of 0.01-0.02 mg/l and solid state, i.e. a silver wire spiral. The purpose was to determine UHF-regimes of the flowing water disinfection process in the presence of silver.

  3. Investigation of Pinus mugo essential oil oxygenated fraction by combined use of gas chromatography and dry column chromatography.

    PubMed

    A, M B; Coran, S A; Giannellini, V; Vincieri, F F; Moneti, G

    1981-09-01

    The oxygenated compounds of Pinus mugo Turra essential oil were investigated by a combination of GC and dry column chromatography (DCC) coordinated by GC data processing. The collected data resulted in a bar graph ("normalized" gas chromatogram) giving the RRT's and relative amounts of 68 components; 38 of them were identified by MS and IR. The described procedure may be used for essential oil analysis in general.

  4. Accurate molecular structure and spectroscopic properties for nucleobases: A combined computational - microwave investigation of 2-thiouracil as a case study

    PubMed Central

    Puzzarini, Cristina; Biczysko, Malgorzata; Barone, Vincenzo; Peña, Isabel; Cabezas, Carlos; Alonso, José L.

    2015-01-01

    The computational composite scheme purposely set up for accurately describing the electronic structure and spectroscopic properties of small biomolecules has been applied to the first study of the rotational spectrum of 2-thiouracil. The experimental investigation was made possible thanks to the combination of the laser ablation technique with Fourier Transform Microwave spectrometers. The joint experimental – computational study allowed us to determine accurate molecular structure and spectroscopic properties for the title molecule, but more important, it demonstrates a reliable approach for the accurate investigation of isolated small biomolecules. PMID:24002739

  5. Investigation of Praseodymium Fluorides: A Combined Matrix-Isolation and Quantum-Chemical Study.

    PubMed

    Vent-Schmidt, Thomas; Riedel, Sebastian

    2015-12-07

    The chemistry of the lanthanides is mostly dominated by compounds in the oxidation state +III. Only few compounds of Ce, Pr, and Tb are known with the metal in the +IV oxidation state. Removal of the last f-electron on praseodymium +IV would lead to a closed-shell system with formal oxidation state V. In this work we investigated the stability of the PrF5 molecule by theory and matrix-isolation techniques through the reaction of laser-ablated praseodymium atoms with fluorine in excess of neon, argon, krypton, or neat fluorine. Besides the known PrF3 molecule, unreported IR bands for PrF4 could be observed, and there is evidence for the formation of PrF and PrF2 but not for the formation of PrF5.

  6. Pasting investigation, SEM observation and the possible interaction study on rice starch-pullulan combination.

    PubMed

    Chen, Long; Ren, Fei; Yu, Xueping; Zhang, Zipei; Xu, Dejun; Tong, Qunyi

    2015-02-01

    The pasting properties of rice starch (RS) with high concentration (10%, w/w) were investigated in the presence or absence of pullulan (PUL) using a rapid visco-analyzer (RVA). Addition of pullulan resulted in the reduction of peak viscosity, trough viscosity, final viscosity, and setback value of RS. Furthermore, an interesting phenomenon, i.e. a small viscosity peak appeared in the RVA curves of RS-PUL mixtures, was observed. It indicated that addition of pullulan might suppress the gelatinization of starch granules by maintaining the integration of some granules. The scanning electron microscope (SEM) observation of samples suggested that starch granules could be wrapped by a thin membrane composed of pullulan and/or pullulan-amylose associations. The coating ability of pullulan and/or the possible molecular interactions between pullulan and amylose could be responsible for these results.

  7. Combining nano-physical and computational investigations to understand the nature of "aging" in dermal collagen.

    PubMed

    Ahmed, Tarek; Nash, Anthony; Clark, Kristina En; Ghibaudo, Marion; de Leeuw, Nora H; Potter, Anne; Stratton, Richard; Birch, Helen L; Enea Casse, Ramona; Bozec, Laurent

    2017-01-01

    The extracellular matrix of the dermis is a complex, dynamic system with the various dermal components undergoing individual physiologic changes as we age. Age-related changes in the physical properties of collagen were investigated in particular by measuring the effect of aging, most likely due to the accumulation of advanced glycation end product (AGE) cross-links, on the nanomechanical properties of the collagen fibril using atomic force microscope nano-indentation. An age-related decrease in the Young's modulus of the transverse fibril was observed (from 8.11 to 4.19 GPa in young to old volunteers, respectively, P<0.001). It is proposed that this is due to a change in the fibril density caused by age-related differences in water retention within the fibrils. The new collagen-water interaction mechanism was verified by electronic structure calculations, showing it to be energetically feasible.

  8. Deep Geothermal Energy for Lower Saxony (North Germany) - Combined Investigations of Geothermal Reservoir Characteristics

    NASA Astrophysics Data System (ADS)

    Hahne, Barbara; Thomas, Rüdiger

    2014-05-01

    In Germany, successful deep geothermal projects are mainly situated in Southern Germany in the Molassebecken, furthermore in the Upper Rhine Graben and, to a minor extend, in the North German Basin. Mostly they are hydrothermal projects with the aim of heat production. In a few cases, they are also constructed for the generation of electricity. In the North German Basin temperature gradients are moderate. Therefore, deep drilling of several thousand meters is necessary to reach temperatures high enough for electricity production. However, the porosity of the sedimentary rocks is not sufficient for hydrothermal projects, so that natural fracture zones have to be used or the rocks must be hydraulically stimulated. In order to make deep geothermal projects in Lower Saxony (Northern Germany) economically more attractive, the interdisciplinary research program "Geothermal Energy and High-Performance Drilling" (gebo) was initiated in 2009. It comprises four focus areas: Geosystem, Drilling Technology, Materials and Technical System and aims at improving exploration of the geothermal reservoir, reducing costs of drilling and optimizing exploitation. Here we want to give an overview of results of the focus area "Geosystem" which investigates geological, geophysical, geochemical and modeling aspects of the geothermal reservoir. Geological and rock mechanical investigations in quarrys and core samples give a comprehensive overview on rock properties and fracture zone characteristics in sandstones and carbonates. We also show that it is possible to transfer results of rock property measurements from quarry samples to core samples or to in situ conditions by use of empirical relations. Geophysical prospecting methods were tested near the surface in a North German Graben system. We aim at transferring the results to the prospection of deep situated fracture zones. The comparison of P- and S-wave measurements shows that we can get hints on a possible fluid content of the

  9. Exploring rearrangements along the fragmentation pathways of diuron anion: A combined experimental and computational investigation

    NASA Astrophysics Data System (ADS)

    Kanawati, Basem; Harir, Mourad; Schmitt-Kopplin, Philippe

    2009-12-01

    Diuron (3-(3,4-dichlorophenyl)-1,1-dimethylurea), a common herbicide from phenyl urea class, was investigated by studying the formation of several negative ions [M-H]- in the gas phase and the fragmentation behaviour of the thermodynamically most probably formed isomeric anions upon linear ion acceleration/collision experiments. The collision induced dissociation experiments (CID) were carried out in a hexapole-quadrupole-hexapole hybrid system coupled to 12 T magnet with infinity ICR cell for high resolution measurements. Two distinctive main pathways were observed in the MS/MS spectrum. Sustained off-resonance irradiation (SORI) experiments inside the ICR cell reinforce the fragmentation channels obtained from linear ion acceleration experiments. The fragmentation pathways were also completely investigated by the use of B3LYP/6-311+G(2d,p)//B3LYP/6-31+G(d) level of theory. Elimination of dimethylamine takes place in a two-step process, by which two successive 1,3 proton shifts occur. The second 1,3 proton shift is concerted with the departure of dimethylamine. The driving force for the (CH3)2NH elimination is the formation of isocyanate group. The formed primary product ion can further decompose to release HCl through a new transition state. A stable new aromatic product ion is formed with 10[pi] electrons. Loss of C3H5NO neutral from another anionic isomer of the precursor ion was also observed and is characteristic for the amide terminal of the diamide functional group. A concerted mechanism is proposed, by which N-C bond breakage and cyclization of the eliminated neutral fragment C3H5NO takes place simultaneously to form 1-methyl-aziridin-2-one.

  10. Clinical investigation of combined therapy influence over Keratitis Herpetica Dendritica with He-Ne laser, Pandavir, and Acycovir

    NASA Astrophysics Data System (ADS)

    Koev, K.; Tanev, V.; Avramov, L.; Borisova, E.

    2007-03-01

    The main goal of this study is to investigate the treatment effect of combined therapy over Keratitis Herpetica Dendritica applying drugs Pandavir and Acycovir in combination with He-Ne laser irradiation. The current survey includes 75 patients with Keratitis Herpetica Dendritica that are divided in three groups. The first group of 25 patients is treated with Acycovir. The second group, which includes 24 patients, is treated with Pandavir and Acycovir. In the third group that consists from 26 patients, besides the abovementioned combination of drugs is applied low-level laser therapy using He-Ne laser, emitted at 632,8 nm wavelength, with power density 0,3 mW/cm2 and light exposure used - 3 minutes. The flourescein reaction was monitored every day to detect the eye recovery. We observe earliest answer reaction to the treatment applied in the group of He-Ne laser& Pandavir&Acycovir, revealing as inflammation suppression and perifocal edema disappearance in the group treated. Eyes treated only with Acycovir present mean time of improvement (MTI), as the flourescein colorization disappearance and epithelization setting in for 9,3+/-1,2 days is observed. Similar results were obtained on the eyes treated in double combination, Pandavir and Acycovir, with MTI - 8,2+/-1,1 days. The best effect was obtained by the triple combination: Pandavir, Acycovir and He-Ne laser (statistically proved), with the mean time of improvement 6,2+/-1,3 days. The combined laser treatment shows significant additional effect on the recovery rate. The combined treatment with He-Ne laser, Pandavir and Acycovir is revealed as an efficient method for eye therapy of Keratitis Herpetica Dendritica.

  11. Experimental investigation of an ammonia-based combined power and cooling cycle

    NASA Astrophysics Data System (ADS)

    Tamm, Gunnar Olavi

    A novel ammonia-water thermodynamic cycle, capable of producing both power and refrigeration, was proposed by D. Yogi Goswami. The binary mixture exhibits variable boiling temperatures during the boiling process, which leads to a good thermal match between the heating fluid and working fluid for efficient heat source utilization. The cycle can be driven by low temperature sources such as solar, geothermal, and waste heat from a conventional power cycle, reducing the reliance on high temperature sources such as fossil fuels. A theoretical simulation of the cycle at heat source temperatures obtainable from low and mid temperature solar collectors showed that the ideal cycle could produce power and refrigeration at a maximum exergy efficiency, defined as the ratio of the net work and refrigeration output to the change in availability of the heat source, of over 60%. The exergy efficiency is a useful measure of the cycle's performance as it compares the effectiveness of different cycles in harnessing the same source. An experimental system was constructed to demonstrate the feasibility of the cycle and to compare the experimental results with the theoretical simulations. In this first phase of experimentation, the turbine expansion was simulated with a throttling valve and a heat exchanger. Results showed that the vapor generation and absorption condensation processes work experimentally. The potential for combined turbine work and refrigeration output was evidenced in operating the system. Analysis of losses led to modifications in the system design, which were implemented to yield improvements in heat exchange, vapor generation, pump performance and overall stability. The research that has been conducted verifies the potential of the power and cooling cycle as an alternative to using conventional fossil fuel technologies. The research that continues is to further demonstrate the concept and direct it towards industry. On the large scale, the cycle can be used for

  12. Radon potential determination by a combination of geological mapping, geochemistry, groundwater investigations and airborne geophysics

    NASA Astrophysics Data System (ADS)

    Schubert, G.; Motschka, K.; Ahl, A.; Slapansky, P.; Finger, F.; Alletsgruber, I.; Gasser, V.; Supper, R.; Bieber, G.

    2009-04-01

    During the nineties comprehensive Radon investigations were carried out in Austria to determine the Radon exposure of the population (Ditto et al., 1999, Friedmann et al.,1997 and Friedmann et al., 2007). Friedmann (2007, p 16-17) came to the result that indoor measurements can be better used than geological methods to pinpoint areas with a high Radon hazard. Contrary to this conclusion, in the current presentation we intend to show that geological factors are the most important parameters for Radon potential evaluation and we demonstrate a new mapping method for determining the spatial distribution of the Radon potential by means of geological and airborne geophysical investigations. Within the last years, several test sites in the southern Bohemian Massive were investigated. Based on large scaled geological maps different types of Granites were analysed on Uranium content. Furthermore, in order to obtain the spatial distribution of Uranium, close-meshed airborne radiometric mapping was carried out. Additionally, ground water samples were analysed to derive representative Radon concentrations for the pore volume within the different Granite types. Final results concluded that there is a significant correlation between the Uranium content of the geological subsurface and the Radon concentration in the ground water (SCHUBERT et al., 2003, ALLETSGRUBER, 2007). As a consequence airborne radiometric mapping could be used as an effective tool to derive quick and detailed information on spatial distribution of the Radon potential. Furthermore this methodology could contribute to identify potential Radon hot spot areas as only airborne radiometric mapping could provide countrywide Uranium data coverage in high resolution. I. Alletsgruber(2007): Radongehalte in Grundwässern des Mühlviertels (Oberösterreich). Geologische und hydrogeologische Faktoren. - diploma thesis, Univ. Salzburg. PT M. Ditto, W. Fimml, V. Karg, M. Korner, J. Weisz (1999): Radon-222 im Grundwasser

  13. Combining machine learning and remotely sensed bandratios to investigate chlorophyll content and photosynthetic processes

    NASA Astrophysics Data System (ADS)

    Gholizadeh, Hamed

    Photosynthesis in aquatic and terrestrial ecosystems is the key component of the food chain and the most important driver of the global carbon cycle. Therefore, estimation of photosynthesis at large spatial scales is of great scientific importance and can only practically be achieved by remote sensing data and techniques. In this dissertation, remotely sensed information and techniques, as well as field measurements, are used to improve current approaches of assessing photosynthetic processes. More specifically, three topics are the focus here: (1) investigating the application of spectral vegetation indices as proxies for terrestrial chlorophyll in a mangrove ecosystem, (2) evaluating and improving one of the most common empirical ocean-color algorithms (OC4), and (3) developing an improved approach based on sunlit-to-shaded scaled photochemical reflectance index (sPRI) ratios for detecting drought signals in a deciduous forest at eastern United States. The results indicated that although the green normalized difference vegetation index (GNDVI) is an efficient proxy for terrestrial chlorophyll content, there are opportunities to improve the performance of vegetation indices by optimizing the band weights. In regards to the second topic, we concluded that the parameters of the OC4 algorithm and similar empirical models should be tuned regionally and the addition of sea-surface temperature makes the global ocean-color approaches more valid. Results obtained from the third topic showed that considering shaded and sunlit portions of the canopy (i.e., two-leaf models instead of single big leaf models) and taking into account the divergent stomatal behavior of the species (i.e. isohydric and anisohydric) can improve the capability of sPRI in detecting drought. In addition to investigating the photosynthetic processes, the other common theme of the three research topics is the evaluation of "off- the-shelf" solutions to remote-sensing problems. Although widely used

  14. OH produced from o-nitrophenol photolysis: A combined experimental and theoretical investigation

    SciTech Connect

    Cheng Shibo; Zhou Canhua; Yin Hongming; Sun Julong; Han Keli

    2009-06-21

    Photodissociation dynamics of o-nitrophenol in the gas phase at different photolysis wavelengths (361-390 nm) is investigated, and the nascent OH radical is observed by the single-photon laser-induced fluorescence technique. At all the photolysis wavelengths, the OH radicals are formed in vibrationally cold state ({upsilon}{sup ''}=0) and have similar rotational state distributions. The average rotational temperature for all the photolysis wavelengths is approximately 970{+-}120 K, corresponding to a rotational energy of 1.9{+-}0.2 kcal mol{sup -1}. The spin orbit and {Lambda}-doublet states of the OH fragments formed in the dissociation are measured to have nonstatistical distributions. To get an insight into the dissociative mechanism leading to OH formation in the photolysis of o-nitrophenol, the potential energy surfaces of the OH-forming channels are mapped by ab initio theoretical calculations. According to both experimental and theoretical results, a possible mechanism for OH formation is proposed.

  15. EPR investigation of gamma irradiated single crystal guaifenesin: A combined experimental and computational study

    NASA Astrophysics Data System (ADS)

    Tasdemir, Halil Ugur; Sayin, Ulku; Türkkan, Ercan; Ozmen, Ayhan

    2016-04-01

    Gamma irradiated single crystal of Guaifenesin (Glyceryl Guaiacolate), an important expectorant drug, were investigated with Electron Paramagnetic Resonance (EPR) spectroscopy between 123 and 333 K temperature at different orientations in the magnetic field. Considering the chemical structure and the experimental spectra of the gamma irradiated single crystal of guaifenesin sample, we assumed that alkoxy or alkyl-type paramagnetic species may be produced by irradiation. Depending on this assumption, eight possible alkoxy and alkyl-type radicals were modeled and EPR parameters of these modeled radicals were calculated using the B3LYP/6-311++G(d,p)-level of density functional theory (DFT). Theoretically calculated values of alkyl-type modeled radical(R3) are in good agreement with experimentally determined EPR parameters of single crystal. Furthermore, simulation spectra which are obtained by using the theoretical initial values are well matched with the experimental spectra. It was determined that a stable Cα •H2αCβHβCγH2γ (R3) alkyl radical was produced in the host crystal as a result of gamma irradiation.

  16. Structure and dynamics of H2+ near the dissociation threshold: A combined experimental and computational investigation

    NASA Astrophysics Data System (ADS)

    Beyer, Maximilian; Merkt, Frédéric

    2016-12-01

    The pulsed-field-ionization zero-kinetic-energy photoelectron spectrum of H2 has been recorded in the vicinity of the dissociative-ionization threshold following three-photon excitation via selected rotational levels of the B1Σu+ (v = 19) and H ‾ 1Σg+ (v = 11) intermediate states. The spectra consist of transitions to bound levels of the X+2 Σg+ state of H2+ with v+ in the range 14-19 and N+ in the range 0-9, of the A+2 Σu+ state with v+ = 0 and N+ = 0-2, and of shape resonances corresponding to the X+(v+ = 17, N+ = 7) and X+(v+ = 18, N+ = 4) quasibound levels. Calculations of the level structure of H2+ have been carried out and the influence of adiabatic, nonadiabatic, relativistic and radiative corrections on the positions of these levels, and in the case of the shape resonances also on their widths, has been investigated. Different methods of calculating the widths and profiles of the shape resonances have been tested for comparison with the experimental observations. Slow oscillations of the dissociative-ionization yield have been observed and reflect, in first approximation, the Franck-Condon factors of the X+, A+ ← H ‾ bound - free transitions.

  17. Comprehensive Spectral Signal Investigation of a Larch Forest Combining - and Satellite-Based Measurements

    NASA Astrophysics Data System (ADS)

    Landmann, J. M.; Rutzinger, M.; Bremer, M.; chmidtner, K.

    2016-06-01

    Collecting comprehensive knowledge about spectral signals in areas composed by complex structured objects is a challenging task in remote sensing. In the case of vegetation, shadow effects on reflectance are especially difficult to determine. This work analyzes a larch forest stand (Larix decidua MILL.) in Pinnis Valley (Tyrol, Austria). The main goal is extracting the larch spectral signal on Landsat 8 (LS8) Operational Land Imager (OLI) images using ground measurements with the Cropscan Multispectral Radiometer with five bands (MSR5) simultaneously to satellite overpasses in summer 2015. First, the relationship between field spectrometer and OLI data on a cultivated grassland area next to the forest stand is investigated. Median ground measurements for each of the grassland parcels serve for calculation of the mean difference between the two sensors. Differences are used as "bias correction" for field spectrometer values. In the main step, spectral unmixing of the OLI images is applied to the larch forest, specifying the larch tree spectral signal based on corrected field spectrometer measurements of the larch understory. In order to determine larch tree and shadow fractions on OLI pixels, a representative 3D tree shape is used to construct a digital forest. Benefits of this approach are the computational savings compared to a radiative transfer modeling. Remaining shortcomings are the limited capability to consider exact tree shapes and nonlinear processes. Different methods to implement shadows are tested and spectral vegetation indices like the Normalized Difference Vegetation Index (NDVI) and Greenness Index (GI) can be computed even without considering shadows.

  18. Raman spectroscopy combined with principle component analysis to investigate the aging of high energy materials

    NASA Astrophysics Data System (ADS)

    Farhadian, A. H.; Kavosh Tehrani, M.; Keshavarz, M. H.; Darbani, S. M. R.

    2017-07-01

    This paper attempts to investigate the possibility of using Raman spectroscopy for aged solid composite propellants. Propellant samples was prepared and aged by an accelerated mechanism in three different temperatures (50, 60 and 70 °C) and times. In the Raman spectrum of the unaged sample, vibrational modes of all structural substances consisting of hydroxyl-terminated polybutadiene as a binder, ammonium perchlorate (AP) as an oxidizer and aluminum as a metal fuel were observed. Comparison of the spectra of the aged samples shows the changes of several peaks with increasing aging times. The important changes are the elimination of NH3+ mode and intensity reduction of CH2 modes, which can be attributed to oxidative cross linking phenomena due to AP decomposition in the chemical structure. Intensity ratios of C-C, C=C and CH2 have been changed with aging and cross linking so that C=C bonds are converted into C-C bonds, as well as the intensity of CH2 modes, was decreased. A principle component analysis method is implemented in order to use all ranges of the spectrum and better discrimination of the samples, which show good results.

  19. Structure of Nano-sized CeO2 Materials: Combined Scattering and Spectroscopic Investigations

    DOE PAGES

    Marchbank, Huw R.; Clark, Adam H.; Hyde, Timothy I.; ...

    2016-08-29

    Here, the nature of nano-sized ceria, CeO2, systems were investigated using neutron and X-ray diffraction and X-ray absorption spectroscopy. Whilst both diffraction andtotal pair distribution functions (PDFs) revealed that in all the samples the occupancy of both Ce4+ and O2- are very close to the ideal stoichiometry, the analysis using reverse Monte Carlo technique revealedsignificant disorder around oxygen atoms in the nano sized ceria samples in comparison to the highly crystalline NIST standard.In addition, the analysis reveal that the main differences observed in the pair correlations from various X-ray and neutron diffraction techniques were attributed to the particle size ofmore » the CeO2 prepared by the reported three methods. Furthermore, detailed analysis of the Ce L3– and K-edge EXAFS data support this finding; in particular the decrease in higher shell coordination numbers with respect to the NIST standard, are attributed to differences in particle size.« less

  20. Investigation of the adiabatic cloud model combining SEVIRI data and ground site measurements from Leipzig

    NASA Astrophysics Data System (ADS)

    Merk, Daniel; Ansmann, Albert; Deneke, Hartwig; Pospichal, Bernhard; Seifert, Patric

    2013-04-01

    The first indirect aerosol effect or Twomey effect predicts a higher cloud albedo as reponse to increased aerosol load. Satellites provide a unique global coverage with high temporal and spatial resolution to investigate the climate relevance of this effect and quantify its magnitude. Different studies show that a higher aerosol concentration does not necessarily lead to higher cloud albedo if the geometrical cloud thickness is lowered. To validate the Twomey effect accurate retrievals of both cloud droplet number concentration and geometrical extent are necessary. Satellite retrievals of these quantities require an assumption about the vertical cloud profile as it can not be inferred directly from satellites. A common assumption for Stratocumulus clouds is the adiabatic cloud model that assumes a linear increasing liquid water content and constant cloud droplet number concentration with height. Due to entrainment of dry air the vertical cloud profile may be sub-adiabatic or show even a more complex vertical behaviour. To validate the robustness of satellite estimates of cloud geometrical thickness and cloud droplet number concentration, and the resulting metrics for the Twomey effect, we address the question how closley the assumption of an adiabatic or sub-adiabatic profile represents real clouds over Europe. For this purpose we compare micro- and macro-physical properties from geostationary satellite measurements of Meteosat SEVIRI with ground measurements at the Tropos Institute (Leipzig, Germany). The site provides a detailed characterization of atmospheric state through microwave radiometer, millimeter radar and lidar instruments as well as aerosol optical thickness measurements from an AERONET station.

  1. Investigation of Combined Motor/Magnetic Bearings for Flywheel Energy Storage Systems

    NASA Technical Reports Server (NTRS)

    Hofmann, Heath

    2003-01-01

    Dr. Hofmann's work in the summer of 2003 consisted of two separate projects. In the first part of the summer, Dr. Hofmann prepared and collected information regarding rotor losses in synchronous machines; in particular, machines with low rotor losses operating in vacuum and supported by magnetic bearings, such as the motor/generator for flywheel energy storage systems. This work culminated in a presentation at NASA Glenn Research Center on this topic. In the second part, Dr. Hofmann investigated an approach to flywheel energy storage where the phases of the flywheel motor/generator are connected in parallel with the phases of an induction machine driving a mechanical actuator. With this approach, additional power electronics for driving the flywheel unit are not required. Simulations of the connection of a flywheel energy storage system to a model of an electromechanical actuator testbed at NASA Glenn were performed that validated the proposed approach. A proof-of-concept experiment using the D1 flywheel unit at NASA Glenn and a Sundstrand induction machine connected to a dynamometer was successfully conducted.

  2. Combining EEG, MIDI, and motion capture techniques for investigating musical performance.

    PubMed

    Maidhof, Clemens; Kästner, Torsten; Makkonen, Tommi

    2014-03-01

    This article describes a setup for the simultaneous recording of electrophysiological data (EEG), musical data (MIDI), and three-dimensional movement data. Previously, each of these three different kinds of measurements, conducted sequentially, has been proven to provide important information about different aspects of music performance as an example of a demanding multisensory motor skill. With the method described here, it is possible to record brain-related activity and movement data simultaneously, with accurate timing resolution and at relatively low costs. EEG and MIDI data were synchronized with a modified version of the FTAP software, sending synchronization signals to the EEG recording device simultaneously with keypress events. Similarly, a motion capture system sent synchronization signals simultaneously with each recorded frame. The setup can be used for studies investigating cognitive and motor processes during music performance and music-like tasks--for example, in the domains of motor control, learning, music therapy, or musical emotions. Thus, this setup offers a promising possibility of a more behaviorally driven analysis of brain activity.

  3. Investigation of Combined Motor/Magnetic Bearings for Flywheel Energy Storage Systems

    NASA Technical Reports Server (NTRS)

    Hofmann, Heath

    2003-01-01

    Dr. Hofmann's work in the summer of 2003 consisted of two separate projects. In the first part of the summer, Dr. Hofmann prepared and collected information regarding rotor losses in synchronous machines; in particular, machines with low rotor losses operating in vacuum and supported by magnetic bearings, such as the motor/generator for flywheel energy storage systems. This work culminated in a presentation at NASA Glenn Research Center on this topic. In the second part, Dr. Hofmann investigated an approach to flywheel energy storage where the phases of the flywheel motor/generator are connected in parallel with the phases of an induction machine driving a mechanical actuator. With this approach, additional power electronics for driving the flywheel unit are not required. Simulations of the connection of a flywheel energy storage system to a model of an electromechanical actuator testbed at NASA Glenn were performed that validated the proposed approach. A proof-of-concept experiment using the D1 flywheel unit at NASA Glenn and a Sundstrand induction machine connected to a dynamometer was successfully conducted.

  4. Feasibility investigation of oily wastewater treatment by combination of zinc and PAM in coagulation/flocculation.

    PubMed

    Zeng, Yubin; Yang, Changzhu; Zhang, Jingdong; Pu, Wenhong

    2007-08-25

    Poly-zinc silicate (PZSS) is a new type of coagulant with cationic polymer synthesized by polysilicic acid and zinc sulfate. It has been used in several sorts of wastewaters treatment, but not used in oily wastewater treatment. In this study, we investigated the coagulation/flocculation of oil and suspended solids in heavy oil wastewater (HOW) by PZSS and anion polyacrylamide (A-PAM). The properties of PZSS cooperated with A-PAM were compared with PAC and PFS in dosages, PAMs amount, settling time, pH value and flocs morphology. The results showed that PZSS was more efficient than PAC and PFS. Under the optimum experimental conditions of coagulation/flocculation (dosage: 100mg/L, A-PAM dosage: 1.0mg/L, settling time time: 40min and pH 6.5-9.5), more than 99% of oil was removed and suspended solid value less than 5mg/L by using PZSS cooperated with A-PAM, which could satisfy the demands of the pre-treatment process for HOW to be reused in the steam boiler or recycled into the injecting well.

  5. Structure of Nano-sized CeO2 Materials: Combined Scattering and Spectroscopic Investigations.

    PubMed

    Marchbank, Huw R; Clark, Adam H; Hyde, Timothy I; Playford, Helen Y; Tucker, Matthew G; Thompsett, David; Fisher, Janet M; Chapman, Karena W; Beyer, Kevin A; Monte, Manuel; Longo, Alessandro; Sankar, Gopinathan

    2016-11-04

    The structure of several nano-sized ceria, CeO2 , systems was investigated using neutron and X-ray diffraction and X-ray absorption spectroscopy. Whilst both diffraction and total pair distribution functions (PDFs) revealed that in all of the samples the occupancy of both Ce(4+) and O(2-) are very close to the ideal stoichiometry, the analysis using Reverse Monte Carlo technique revealed significant disorder around oxygen atoms in the nano-sized ceria samples in comparison to the highly crystalline NIST standard. In addition, the analysis revealed that the main differences observed in the pair correlations from various X-ray and neutron diffraction techniques were attributable to the particle size of the CeO2 prepared by the reported three methods. Furthermore, detailed analysis of the Ce L3 - and K-edge EXAFS data support this finding; in particular the decrease in higher shell coordination numbers with respect to the NIST standard, is attributed to differences in particle size.

  6. Investigating the Combined Effects of Gravity and Rotation on Small-Body Surface Terrains

    NASA Astrophysics Data System (ADS)

    Richardson, J. E.; Bowling, T. J.

    2011-12-01

    In November 2010, the Deep Impact spacecraft flew by comet Hartley 2 as part of its extended (EPOXI) mission. The flyby revealed a nucleus comprised of two, relatively coarse-terrained lobes connected by a smooth, neck region (A'Hearn et al., Science, 2011). If we assume that this smooth neck formed via some type of fluidized particulate flow, then it should lie roughly coincident with an equipotential surface with respect to the combined forces of gravity and rotation. Utilizing a Hartley 2 shape model and measured rotation state, we tested this idea by varying the model bulk density to find the gravity field wherein the potential variation across the neck region was at a minimum, yielding a best-fit bulk density of 220 (140-520) kg/m^3. Curiously, this same potential variance minimization technique applied to the entire shape model yields a bulk density of 200 (140-350) kg/m^3. At first glance, this similar global result seems to invalidate the regional result. However, the same global exercise performed for asteroids 243 Ida and 433 Eros does yield densities close to the measured densities for those objects. For 433 Eros, the technique yields a best-fit density of 2200 (1400-4000) kg/m^3, within 18% of the measured density of 2670 +/- 30 kg/m^3. For 243 Ida, the technique yields a best-fit density of 2300 (1500-4800) kg/m^3, within 12% of the measured density of 2600 +/- 500 kg/m^3. Clearly, there is some mechanism that causes the topography of some small, rotating bodies to move toward as small a potential energy variance over the surface as possible. We hypothesize that the above phenomena can be explained by the effect that disturbance-driven slope degradation processes have on the topography of a small body, given a mobile regolith layer on its surface. The first key factor in this explanation involves the exponential increase in the downslope flow/creep rate that occurs when the slope is increased toward the critical angle for that material (Roerring, Water

  7. Investigating the CT localizer radiograph: acquisition parameters, patient centring and their combined influence on radiation dose.

    PubMed

    Lambert, J W; Kumar, S; Chen, J S; Wang, Z J; Gould, R G; Yeh, B M

    2015-04-01

    To systematically investigate the effect of CT localizer radiograph acquisition on the tube current modulation and thus radiation dose of the subsequent diagnostic scan. Localizer radiographs of an abdominal section CT phantom were taken, and the resulting volume CT dose index (CTDIvol) for the diagnostic scan was recorded. Variables included tube potential, the phantom's alignment within the CT scanner gantry in both the vertical and horizontal directions and the X-ray source angle at which the localizer was acquired. Diagnostic scan CTDIvol decreased with increasing tube potential. Vertical (table height) movement was found to affect radiation dose more than horizontal movement, with ±50 mm table movement resulting in a standard deviation in the diagnostic scan CTDIvol of 4.4 mGy, compared with 2.5 mGy with ±50 mm horizontal movement. Correspondingly, localizer angles of 90° or 270° (3 o'clock and 9 o'clock X-ray source positions) were less sensitive overall to alignment errors, with a standard deviation of 2.5 mGy, compared with a 0° or 180° angle, which had a standard deviation of 3.8 mGy. To achieve a consistently optimized radiation dose, the localizer protocol should be paired with the diagnostic acquisition protocol. A final acquisition angle of 90° should be used when possible to minimize dose variation resulting from alignment errors. Localizer parameters that affect radiation output were identified for this scanner system. The importance of tube potential and acquisition angle was highlighted.

  8. Combining Empirical Relationships with Data Based Mechanistic Modeling to Inform Solute Tracer Investigations across Stream Orders

    NASA Astrophysics Data System (ADS)

    Herrington, C.; Gonzalez-Pinzon, R.; Covino, T. P.; Mortensen, J.

    2015-12-01

    Solute transport studies in streams and rivers often begin with the introduction of conservative and reactive tracers into the water column. Information on the transport of these substances is then captured within tracer breakthrough curves (BTCs) and used to estimate, for instance, travel times and dissolved nutrient and carbon dynamics. Traditionally, these investigations have been limited to systems with small discharges (< 200 L/s) and with small reach lengths (< 500 m), partly due to the need for a priori information of the reach's hydraulic characteristics (e.g., channel geometry, resistance and dispersion coefficients) to predict arrival times, times to peak concentrations of the solute and mean travel times. Current techniques to acquire these channel characteristics through preliminary tracer injections become cost prohibitive at higher stream orders and the use of semi-continuous water quality sensors for collecting real-time information may be affected from erroneous readings that are masked by high turbidity (e.g., nitrate signals with SUNA instruments or fluorescence measures) and/or high total dissolved solids (e.g., making prohibitively expensive the use of salt tracers such as NaCl) in larger systems. Additionally, a successful time-of-travel study is valuable for only a single discharge and river stage. We have developed a method to predict tracer BTCs to inform sampling frequencies at small and large stream orders using empirical relationships developed from multiple tracer injections spanning several orders of magnitude in discharge and reach length. This method was successfully tested in 1st to 8th order systems along the Middle Rio Grande River Basin in New Mexico, USA.

  9. Combination Across Domains: An MEG Investigation into the Relationship between Mathematical, Pictorial, and Linguistic Processing

    PubMed Central

    Bemis, Douglas K.; Pylkkänen, Liina

    2013-01-01

    Debates surrounding the evolution of language often hinge upon its relationship to cognition more generally and many investigations have attempted to demark the boundary between the two. Though results from these studies suggest that language may recruit domain-general mechanisms during certain types of complex processing, the domain-generality of basic combinatorial mechanisms that lie at the core of linguistic processing is still unknown. Our previous work (Bemis and Pylkkänen, 2011, 2012) used magnetoencephalography to isolate neural activity associated with the simple composition of an adjective and a noun (“red boat”) and found increased activity during this processing localized to the left anterior temporal lobe (lATL), ventro-medial prefrontal cortex (vmPFC), and left angular gyrus (lAG). The present study explores the domain-generality of these effects and their associated combinatorial mechanisms through two parallel non-linguistic combinatorial tasks designed to be as minimal and natural as the linguistic paradigm. In the first task, we used pictures of colored shapes to elicit combinatorial conceptual processing similar to that evoked by the linguistic expressions and find increased activity again localized to the vmPFC during combinatorial processing. This result suggests that a domain-general semantic combinatorial mechanism operates during basic linguistic composition, and that activity generated by its processing localizes to the vmPFC. In the second task, we recorded neural activity as subjects performed simple addition between two small numerals. Consistent with a wide array of recent results, we find no effects related to basic addition that coincide with our linguistic effects and instead find increased activity localized to the intraparietal sulcus. This result suggests that the scope of the previously identified linguistic effects is restricted to compositional operations and does not extend generally to all tasks that are merely similar

  10. Investigating the quality of modeled aerosol profiles based on combined lidar and sunphotometer data

    NASA Astrophysics Data System (ADS)

    Siomos, Nikolaos; Balis, Dimitris S.; Poupkou, Anastasia; Liora, Natalia; Dimopoulos, Spyridon; Melas, Dimitris; Giannakaki, Eleni; Filioglou, Maria; Basart, Sara; Chaikovsky, Anatoli

    2017-06-01

    In this study we present an evaluation of the Comprehensive Air Quality Model with extensions (CAMx) for Thessaloniki using radiometric and lidar data. The aerosol mass concentration profiles of CAMx are compared against the PM2.5 and PM2. 5-10 concentration profiles retrieved by the Lidar-Radiometer Inversion Code (LIRIC). The CAMx model and the LIRIC algorithm results were compared in terms of mean mass concentration profiles, center of mass and integrated mass concentration in the boundary layer and the free troposphere. The mean mass concentration comparison resulted in profiles within the same order of magnitude and similar vertical structure for the PM2. 5 particles. The mean centers of mass values are also close, with a mean bias of 0.57 km. On the opposite side, there are larger differences for the PM2. 5-10 mode, both in the boundary layer and in the free troposphere. In order to grasp the reasons behind the discrepancies, we investigate the effect of aerosol sources that are not properly included in the model's emission inventory and in the boundary conditions such as the wildfires and the desert dust component. The identification of the cases that are affected by wildfires is performed using wind backward trajectories from the Hybrid Single Particle Lagrangian Integrated Trajectory (HYSPLIT) model in conjunction with satellite fire pixel data from MODerate-resolution Imaging Spectroradiometer (MODIS) Terra and Aqua global monthly fire location product MCD14ML. By removing those cases the correlation coefficient improves from 0.69 to 0.87 for the PM2. 5 integrated mass in the boundary layer and from 0.72 to 0.89 in the free troposphere. The PM2.5 center of mass fractional bias also decreases to 0.38 km. Concerning the analysis of the desert dust component, the simulations from the Dust Regional Atmospheric Model (BSC-DREAM8b) were deployed. When only the Saharan dust cases are taken into account, BSC-DREAM8b generally outperforms CAMx when compared with

  11. Combining Chemical Profiling and Network Analysis to Investigate the Pharmacology of Complex Prescriptions in Traditional Chinese Medicine

    PubMed Central

    Suo, Tongchuan; Liu, Jinping; Chen, Xi; Yu, Hua; Wang, Tenglong; Li, Congcong; Wang, Yuefei; Wang, Chunhua; Li, Zheng

    2017-01-01

    We present a paradigm, combining chemical profiling, absorbed components detection in plasma and network analysis, for investigating the pharmacology of combination drugs and complex formulae. On the one hand, the composition of the formula is investigated comprehensively via mass spectrometry analysis, followed by pharmacological studies of the fractions as well as the plasma concentration testing for the ingredients. On the other hand, both the candidate target proteins and the effective ingredients of the formula are predicted via analyzing the corresponding networks. The most probable active compounds can then be identified by combining the experimental results with the network analysis. In order to illustrate the performance of the paradigm, we apply it to the Danggui-Jianzhong formula (DJF) from traditional Chinese medicine (TCM) and predict 4 probably active ingredients, 3 of which are verified experimentally to display anti-platelet activity, i.e., (Z)-Ligustilide, Licochalcone A and Pentagalloylglucose. Moreover, the 3-compound formulae composed of these 3 chemicals show better anti-platelet activity than DJF. In addition, the paradigm predicts the association between these 3 compounds and COX-1, and our experimental validation further shows that such association comes from the inhibitory effects of the compounds on the activity of COX-1. PMID:28084407

  12. A Preliminary Investigation into the Impact of a Pesticide Combination on Human Neuronal and Glial Cell Lines In Vitro

    PubMed Central

    Coleman, Michael D.; O'Neil, John D.; Woehrling, Elizabeth K.; Ndunge, Oscar Bate Akide; Hill, Eric J.; Menache, Andre; Reiss, Claude J.

    2012-01-01

    Many pesticides are used increasingly in combinations during crop protection and their stability ensures the presence of such combinations in foodstuffs. The effects of three fungicides, pyrimethanil, cyprodinil and fludioxonil, were investigated together and separately on U251 and SH-SY5Y cells, which can be representative of human CNS glial and neuronal cells respectively. Over 48h, all three agents showed significant reductions in cellular ATP, at concentrations that were more than tenfold lower than those which significantly impaired cellular viability. The effects on energy metabolism were reflected in their marked toxic effects on mitochondrial membrane potential. In addition, evidence of oxidative stress was seen in terms of a fall in cellular thiols coupled with increases in the expression of enzymes associated with reactive species formation, such as GSH peroxidase and superoxide dismutase. The glial cell line showed significant responsiveness to the toxin challenge in terms of changes in antioxidant gene expression, although the neuronal SH-SY5Y line exhibited greater vulnerability to toxicity, which was reflected in significant increases in caspase-3 expression, which is indicative of the initiation of apoptosis. Cyprodinil was the most toxic agent individually, although oxidative stress-related enzyme gene expression increases appeared to demonstrate some degree of synergy in the presence of the combination of agents. This report suggests that the impact of some pesticides, both individually and in combinations, merits further study in terms of their impact on human cellular health. PMID:22880100

  13. Experimental and Numerical Investigation of Combined Sensible/Latent Thermal Energy Storage for High-Temperature Applications.

    PubMed

    Geissbühler, Lukas; Zavattoni, Simone; Barbato, Maurizio; Zanganeh, Giw; Haselbacher, Andreas; Steinfeld, Aldo

    2015-01-01

    Combined sensible/latent heat storage allows the heat-transfer fluid outflow temperature during discharging to be stabilized. A lab-scale combined storage consisting of a packed bed of rocks and steel-encapsulated AlSi(12) was investigated experimentally and numerically. Due to the small tank-to-particle diameter ratio of the lab-scale storage, void-fraction variations were not negligible, leading to channeling effects that cannot be resolved in 1D heat-transfer models. The void-fraction variations and channeling effects can be resolved in 2D models of the flow and heat transfer in the storage. The resulting so-called bypass fraction extracted from the 2D model was used in the 1D model and led to good agreement with experimental measurements.

  14. Investigation of PBL schemes combining the WRF model simulations with scanning water vapor differential absorption lidar measurements

    NASA Astrophysics Data System (ADS)

    Milovac, Josipa; Warrach-Sagi, Kirsten; Behrendt, Andreas; Späth, Florian; Ingwersen, Joachim; Wulfmeyer, Volker

    2016-01-01

    Six simulations with the Weather Research and Forecasting (WRF) model differing in planetary boundary layer (PBL) schemes and land surface models (LSMs) are investigated in a case study in western Germany during clear-sky weather conditions. The simulations were performed at 2 km resolution with two local and two nonlocal PBL schemes, combined with two LSMs (NOAH and NOAH-MP). Resulting convective boundary layer (CBL) features are investigated in combination with high-resolution water vapor differential absorption lidar measurements at an experimental area. Further, the simulated soil-vegetation-atmosphere feedback processes are quantified applying a mixing diagram approach. The investigation shows that the nonlocal PBL schemes simulate a deeper and drier CBL than the local schemes. Furthermore, the application of different LSMs reveals that the entrainment of dry air depends on the energy partitioning at the land surface. The study demonstrates that the impact of processes occurring at the land surface is not constrained to the lower CBL but extends up to the interfacial layer and the lower troposphere. With respect to the choice of the LSM, the discrepancies in simulating a diurnal change of the humidity profiles are even more significant at the interfacial layer than close to the land surface. This indicates that the representation of land surface processes has a significant impact on the simulation of mixing properties within the CBL.

  15. Investigation of combined free and forced convection in a 2 x 6 rod bundle during controlled flow transients

    SciTech Connect

    Bates, J.M.; Khan, E.U.

    1980-10-01

    An experimental study was performed to obtain local fluid velocity and temperature measurements in the mixed (combined free and forced) convection regime for specific flow coastdown transients. A brief investigation of steady-state flows for the purely free-convection regime was also completed. The study was performed using an electrically heated 2 x 6 rod bundle contained in a flow housing. In addition a transient data base was obtained for evaluating the COBRA-WC thermal-hydraulic computer program (a modified version of the COBRA-IV code).

  16. Investigating ion channel distribution using a combination of spatially limited photolysis, Ca(2+) imaging, and patch clamp recording.

    PubMed

    Almassy, Janos; Yule, David I

    2013-01-01

    The production of saliva by parotid acinar cells is stimulated by Ca(2+) activation of Cl(-) and K(+) channels located in the apical plasma membrane of these polarized cells. Here, we utilize a combination of spatially limited flash photolysis, Ca(2+) imaging, and electrophysiological recording to investigate the distinct distribution of Ca(2+)-dependent ion channels in the plasma membrane (PM) of enzymatically isolated murine parotid acinar cells. In these experiments, the aim of photolysis is to selectively target and modify the activity of ion channels, thereby revealing membrane-domain-specific differences in distribution. Specifically, the relative distribution of channels to either apical or basal PM can be investigated. Since there is substantial evidence that Ca(2+)-dependent Cl(-) channels are exclusively localized to the apical membrane of acinar cells, this provides an important electrophysiological verification that a particular membrane has been specifically targeted.

  17. Quantitative investigations on the effects of exposure durations to the combined cryoprotective agents on mouse oocyte vitrification procedures.

    PubMed

    Wang, Liang; Liu, Jun; Zhou, Guang-Bin; Hou, Yun-Peng; Li, Jun-Jie; Zhu, Shi-En

    2011-11-01

    Vitrification by using two-step exposures to combined cryoprotective agents (CPAs) has become one of the most common methods for oocyte cryopreservation. By quantitatively examining the status of oocytes during CPA additions and dilutions, we can analyze the degree of the associated osmotic damages. The osmotic responses of mouse MII oocyte in the presence of the combined CPAs (ethylene glycol, EG, and dimethyl sulfoxide, DMSO) were recorded and analyzed. A two-parameter model was used in the curve-fitting calculation to determine the values of hydraulic conductivity (L(p)) and permeability (P(s)) to the combined CPAs at 25°C and 37°C. The effects of exposure durations and the exposure temperatures on the cryopreservation in terms of frozen-thawed cell survival rates and subsequent development were examined in a series of cryopreservation experiments. Mouse MII oocytes were exposed to pretreatment solution (PTS) and vitrification solution (VS) at specific temperatures. The PTS used in our experiment was 10% EG and 10% DMSO dissolved in modified PBS (mPBS), and the VS was EDFS30 (15% EG, 15% DMSO, 3 × 10(-3) M Ficoll, and 0.35 M sucrose in mPBS).The accumulative osmotic damage (AOD) and intracellular CPA concentrations were calculated under the different cryopreservation conditions, and for the first time, the quantitative interactions between survival rates, subsequent development rates, and values of AOD were investigated.

  18. Study of the leaching behaviour of ladle slags by means of leaching tests combined with geochemical modelling and mineralogical investigations.

    PubMed

    Loncnar, Mojca; van der Sloot, Hans A; Mladenovič, Ana; Zupančič, Marija; Kobal, Lara; Bukovec, Peter

    2016-11-05

    In this study, the leachability of freshly produced ladle slag derived from both austenitic and ferritic stainless steel production, and from electrical and structural steel production, was investigated, in order to determine whether variations in the chemical and mineralogical composition of these slags affect their leaching behaviour. The effect of the method used for slag cooling was also studied. The results obtained by using the single batch test were combined with those obtained by means of more sophisticated characterisation leaching tests, which, in combination with geochemical speciation modelling, helped to better identify the release mechanisms and phases that control the release of individual elements. It was found that, although variations in the chemical composition of the slag can affect the slag's minerology, neither such variations, nor the choice of the slag cooling treatment, have a significant effect on the leachability of individual elements, since the leaching is governed by surface phenomena. In fact, the mineral transformations on the slag surface, rather than the bulk mineral composition, dictate the release of these elements from the ladle slag. The solubility-controlling phases were predicted by multi-element modelling, and verified to the extent made possible by the performed mineralogical investigations.

  19. Two column lesions in the thoracolumbar junction: anterior, posterior or combined approach? A comparative biomechanical in vitro investigation.

    PubMed

    Bence, Tibor; Schreiber, Ulrich; Grupp, Thomas; Steinhauser, Erwin; Mittelmeier, Wolfram

    2007-06-01

    There are various surgical techniques for the treatment of spinal fractures in the thoracolumbar region. Several implants have been developed for anterior or posterior instrumentation. Optimal treatment of unstable thoracolumbar osseous and ligamentous injuries remains controversial. To compare the stabilizing effects of an antero-lateral, thoracoscopically implantable plate system (macsTL, Aesculap, Germany) with the stability provided by a fixateur interne (SOCON, Aesculap, Germany), this in vitro investigation examined six human bisegmental (T12-L2) spinal units. Specimens were tested intact, and with simulation of osseous lesions in the anterior and ligamentous lesions in the posterior column (combined A/B-fracture). While loaded in the main anatomical planes such as flexion/extension, left and right lateral bending and left and right axial rotation with a bending moment of 7.5 Nm in a special testing jigs, motion analysis was performed. Quantitative interpretation of the stabilizing effect was achieved using a contactless three-dimensional motion analysis system. Each specimen was tested in four different scenarios: the first step measured movements of intact spinal segments. For the second step, specimens underwent simulation of combined A/B-fracture provided with bisegmental (T12/L2) antero-lateral fixation and bone strut graft from the iliac crest. For the third step, segments were additionally stabilized by the fixateur interne. The last measurement (fourth step) was performed after removing the anterior instrumentation. Range of motion (ROM) values were compared and statistically evaluated. Compared to the intact specimens the anterior instrumentation of the combined lesion, simulated A/B-fracture, leads to a stabilizing effect in flexion/extension and lateral bending. In contrast to these findings the torsional instability increased for the upper segment and bisegmentally. A maximum rigidity, beyond intact values, was registered for each anatomical plane

  20. Triple combination as adjuvant to cryotherapy in the treatment of solar lentigines: investigator-blinded, randomized clinical trial.

    PubMed

    Hexsel, D; Hexsel, C; Porto, M D; Siega, C

    2015-01-01

    Post-inflammatory hyperpigmentation is a frequent concern when treating solar lentigines. To assess the safety and efficacy of a triple combination cream with fluocinolone acetonide 0.01%, hydroquinone 4% and tretinoin 0.05% as adjuvant to cryotherapy in the treatment of solar lentigines in hands dorsum, and in the prevention of post-inflammatory hyperpigmentation after cryotherapy. This prospective, randomized, controlled, investigator-blinded, single-centre study enrolled 50 patients. Twenty-five patients received a 2-week daily triple combination cream plus sunscreen pre-treatment and 25 received sunscreen alone. After that, cryotherapy was performed in all patients followed by a 3-week recovery period. After this period, patients received the same initial treatment and were followed up for 8 weeks. Melanin and erythema levels of a target and a control lentigo were objectively measured using a narrowband reflectance spectrophotometer. Lentigines count, colour homogeneity and global improvement were also assessed. The number of solar lentigines reduced in the first 2 weeks only in patients who used the triple combination 25 ± 7 vs. 22 ± 8 (P < 0.0001), and reduced at the end of the study for both groups (P < 0.0001). The melanin levels also reduced in the first 2 weeks only in patients who used the triple combination 297 ± 69 vs. 273 ± 66 (P < 0.0001) and reduced at the end of the study for both groups (P < 0.0001). Erythema and residual blisters from cryotherapy were the reported adverse reactions. Triple combination cream can be used to enhance the resolution of solar lentigines, and to significantly reduce melanin levels and lentigines count, improving treatment results. It was well-tolerated and did not increase the occurrence of neither erythema nor other side-effects after the cryotherapy. © 2014 European Academy of Dermatology and Venereology.

  1. In vitro investigation on the magnetic thermochemotherapy mediated by magnetic nanoparticles combined with methotrexate for breast cancer treatment.

    PubMed

    Zhao, Lingyun; Huo, Meijun; Liu, Jiayi; Yao, Zhu; Li, Danye; Zhao, Zhiwei; Tang, Jintian

    2013-02-01

    Cancer comprehensive treatment has been fully recognized as it can provide an effective multimodality approach for fighting cancers. In therapeutic oncology, hyperthermic adjuvant chemotherapy termed as thermochemotherapy plays an increasing role in multimodality cancer treatment. Currently, targeted nanothermotherapy is one of the effective hyperthermia approach based on magnetic nanoparticles (MNPs), which can be achieved by applying biocompatible nanoscaled metallic particles that convert electromagnetic energy into heat, for instance, magnetic fluid hyperthermia (MFH) mediated by superparamagnetic iron oxide nanoparticles (SPIONs). Upon exposure under alternative magnetic field (AMF), SPIONs can generate heat through oscillation of their magnetic moment. Nowadays, clinical trials at phase II are now under investigations for MFH on patients in Germany and Japan and demonstrate very inspiring for cancer therapy. In this work we explore the feasibility and effectiveness of magnetic thermochemotherapy mediated by magnetic nanoparticles combined with methotrexate, an anti-cancer drug, for breast cancer comprehensive treatment. Amino silane coated MNPs as agent of MFH were prepared by the chemical precipitation method. Physiochemical characterizations on MNPs have been systematically carried out by various instrumental analyses. Inductive heating property of the MNPs was evaluated by monitoring the temperature increase of the MNPs suspension under AMF. The in-vitro cytotoxicity results on human breast cancer cell MCF-7 by CCK-8 assay indicated the bi-modal cancer treatment approach for combined MFH and chemotherapy is more effective than mono-modal treatment, indicating a thermal enhancement effect of hyperthermia on drug cytocoxicity. The magnetic thermochemotherapy mediated by MNPs combined with methotrexate can realize cancer comprehensive treatment thus has great potential in clinical application.

  2. The vibrational spectrum of CaCO3 aragonite: A combined experimental and quantum-mechanical investigation

    NASA Astrophysics Data System (ADS)

    Carteret, Cédric; De La Pierre, Marco; Dossot, Manuel; Pascale, Fabien; Erba, Alessandro; Dovesi, Roberto

    2013-01-01

    The vibrational properties of CaCO3 aragonite have been investigated both theoretically, by using a quantum mechanical approach (all electron Gaussian type basis set and B3LYP HF-DFT hybrid functional, as implemented in the CRYSTAL code) and experimentally, by collecting polarized infrared (IR) reflectance and Raman spectra. The combined use of theory and experiment permits on the one hand to analyze the many subtle features of the measured spectra, on the other hand to evidentiate limits and deficiencies of both approaches. The full set of TO and LO IR active modes, their intensities, the dielectric tensor (in its static and high frequency components), and the optical indices have been determined, as well as the Raman frequencies. Tools such as isotopic substitution and graphical animation of the modes are available, that complement the analysis of the spectrum.

  3. CFD investigation on the offset ratio effect on thermal characteristics of a combined wall and offset jets flow

    NASA Astrophysics Data System (ADS)

    Hnaien, Nidhal; Marzouk, Salwa; Ben Aissia, Habib; Jay, Jacques

    2017-08-01

    The present paper deals with CFD simulation of a two-dimensional, steady, incompressible and turbulent flow combining a wall jet and an offset jet (this combination will be denoted wall offset jet) in order to study the heat transfer phenomenon in this type of flow. Several turbulence models were tested including standard k-ω, SST k-ω, standard k-ɛ, RNG k-ɛ and realizable k-ɛ models. A parametric study was also presented to investigate the offset ratio H and the Reynolds number Re effect on the local (Nu) and average ( {\\overline{{{Nu}}} } ) Nusselt number evolution along the wall. Constant wall heat flux boundary condition is considered. The Reynolds number and the offset ratio have been varied respectively from 10,000 to 40,000 and from 5 to 20 and Pr = 0.7 is adopted for all computation. Correlations that predict the average Nusselt number as a function of both the offset ratio H and the Reynolds number Re are also provided. This study has allowed us to conclude that the heat transfer exchanged between the flow and the wall is intensified when decreasing the offset ratio H and increasing the Reynolds number Re.

  4. CFD investigation on the offset ratio effect on thermal characteristics of a combined wall and offset jets flow

    NASA Astrophysics Data System (ADS)

    Hnaien, Nidhal; Marzouk, Salwa; Ben Aissia, Habib; Jay, Jacques

    2017-03-01

    The present paper deals with CFD simulation of a two-dimensional, steady, incompressible and turbulent flow combining a wall jet and an offset jet (this combination will be denoted wall offset jet) in order to study the heat transfer phenomenon in this type of flow. Several turbulence models were tested including standard k-ω, SST k-ω, standard k-ɛ, RNG k-ɛ and realizable k-ɛ models. A parametric study was also presented to investigate the offset ratio H and the Reynolds number Re effect on the local (Nu) and average ( {\\overline{Ν} ) Nusselt number evolution along the wall. Constant wall heat flux boundary condition is considered. The Reynolds number and the offset ratio have been varied respectively from 10,000 to 40,000 and from 5 to 20 and Pr = 0.7 is adopted for all computation. Correlations that predict the average Nusselt number as a function of both the offset ratio H and the Reynolds number Re are also provided. This study has allowed us to conclude that the heat transfer exchanged between the flow and the wall is intensified when decreasing the offset ratio H and increasing the Reynolds number Re.

  5. Using the "target constituent removal combined with bioactivity assay" strategy to investigate the optimum arecoline content in charred areca nut.

    PubMed

    Peng, Wei; Liu, Yu-Jie; Hu, Mei-Bian; Yan, Dan; Gao, Yong-Xiang; Wu, Chun-Jie

    2017-01-05

    Charred areca nut (CAN) is used to treat dyspepsia and abdominal distension in children. However, reports revealed that arecoline, the most important active constituent of CAN, possesses potential toxicities. This study was designed to investigate the optimum arecoline content in CAN, using the "target constituent removal combined with bioactivity assay" strategy. Based on PTLC method, we prepared CAN lacking all arecoline (WAC-100R) and a series of different ratios of arecoline-removed CAN samples (WAC-Rx). MTT and acute toxicity assays indicated that decreasing content by 50% decreased CAN toxicity significantly. Animal results revealed arecoline contents over 50% could guarantee the beneficial effects of CAN on gastrointestinal tract. Additionally, decreasing arecoline content in CAN by 50% decreased its pro-apoptotic effects significantly. Furthermore, decreasing 50% arecoline content in CAN down-regulated the expressions of Cleaved-Caspase-3, c-jun, c-fos, COX-2, PGE2, and IL-1α. Thus, our results revealed that CAN with 50% arecoline content (WAC-50R) has similar beneficial effects on the gastrointestinal tract to CAN, whereas its toxicity was decreased significantly. Collectively, our study suggested that the strategy of "target constituent removal combined with bioactivity assay" is a promising method to identify the optimum arecoline content in CAN, which is approximately 0.12%.

  6. Investigation of the colloidal interactions at play in combined acidification and rennet of different heat-treated milks.

    PubMed

    Cooper, C; Corredig, M; Alexander, M

    2010-04-28

    The properties of gels obtained by combined acidification and rennet were investigated for milks heated at different temperature-time regimes using a high temperature short time (HTST) pilot plant system. Increasing amounts of heat-induced whey protein complexes were found in the soluble phase as a function of heating time/temperature, and only in the most extensively heated milk (i.e., 85 degrees C/300 s), these complexes were in quantities comparable to those reported in previous studies. Two levels of rennet were studied, and at the gelation pH, the amount of CMP released was 11 +/- 1% and 26 +/- 5% in the low and high rennet experiments, respectively. These two levels of rennet caused profound changes in the gelation behavior and in the structure development of the network. When a small amount of rennet was used, different heating temperature-time regimes did not affect the first stage of renneting. Increasing the extent of milk heat treatment and/or the level of rennet increased the pH of gelation and the stiffness of the gels. This work is the first to compare the effect of heating (using a pilot plant setup) and amount of rennet on the destabilization and interaction of casein micelles during aggregation by combined rennet and acidification.

  7. Experimental Wind-Tunnel Investigation of the Transonic Damping-in-Pitch Characteristics of Two Wing-Body Combinations

    NASA Technical Reports Server (NTRS)

    Emerson, Horace F.; Robinson, Robert C.

    1958-01-01

    The results of an experimental wind-tunnel investigation of the damping in pitch of two wing-body combinations are presented. The tests were conducted in the Ames 14-foot transonic wind tunnel over a Mach number range from 0.60 to 1.18. Reynolds numbers varied from 2.3 million to 5.5 million. One model with a triangular wing of aspect ratio 2 having NACA 0003-63 sections was oscillated at an amplitude of 1.5 and a frequency of 17 cycles per second. The second model with a straight, tapered wing of aspect ratio 3 having 3-percent biconvex circular-arc sections was oscillated at an amplitude of 1.0 deg and a frequency of 21 cycles per second. The tests were made with the models at a mean angle of attack of 0 deg. The models were oscillated with a dynamic balance that was actuated by an electrohydraulic servo valve. The results of this investigation indicate the usefulness of this new apparatus. The experimental results of a previous damping-in-pitch investigation conducted in the Ames 6- by 6-foot supersonic wind tunnel at Mach numbers from 1.2 to 1.7 are included along with the theoretical results for this Mach number range. In the region of Mach numbers available for comparison, good agreement is shown to exist between the data obtained in the two facilities, except for some inconsistency in the slopes of the curves at M = 1.2 for the triangular wing. The results of this investigation clearly show that for the models tested the maximum values of the damping in pitch occur at Mach numbers very close to 1.0, and that abrupt changes in the pitch damping are encountered near sonic velocity.

  8. Experimental investigation of thermal characteristics of lithium ion battery using phase change materials combined with metallic foams and fins

    NASA Astrophysics Data System (ADS)

    Deng, Y. C.; Zhang, H. Y.; Xia, X.

    2016-08-01

    Phase change materials are of great interest in energy storage and energy management applications due to their high latent heat and excellent cycling stability. In this paper, the thermal characteristics of phase change materials (PCM) for thermal management of cylindrical 18650 lithium-ion battery (LIB) were experimentally investigated. A commercial paraffin wax with a melting temperaturerange between 47 - 53.8oC was used in this study. A metal cylinder with a heater was used to emulate the heat generation from a battery, which was surrounded with the paraffin PCM and containted in a metal housing. The experiment was conducted in an environmental test chamber with controlled ambient temperatures and power inputs. Both the battery temperature and the housing wall temperature were measured during steady-state heating and cyclic heating conditions. Since PCM has low thermal conductivity, thermal enhancement techniques were investigated by adding metal foams (MFs) or combining metallic foam and fins into the PCM to enhance the thermal conductivity. The battery temperatures were measured for all the cases and the results were analyzed and discussed.

  9. Distribution of phospholipid based formulations in the skin investigated by combined ATR-FTIR and tape stripping experiments.

    PubMed

    Wolf, Martin; Halper, Maria; Pribyl, Raffaela; Baurecht, Dieter; Valenta, Claudia

    2017-03-15

    The spatial distribution of exogenous substances in the stratum corneum (SC) could have an influence on their skin irritation potential. In this study it was possible to monitor the distribution of phospholipids with their phosphatidylcholine scaffold on porcine ear skin by combining tape stripping and in vitro ATR-FTIR spectroscopy. Significant vibrational modes in the spectra could be successfully assigned to the functional groups of the molecules. Thus it was possible to track the phospholipids without the need of their deuterated form by calculating difference spectra from the treated - untreated skin samples. The correlation between four characteristic bands (R(2)≥0.9909) revealed the excellent suitability of this semi-quantitative method for deep profiling analysis. The penetration capabilities of aqueous suspensions of the different phospholipid compositions as well as two monoacyl-phosphatidylcholine based liposome formulations were investigated using this method. Nevertheless, differences in the distribution of the investigated phospholipid species, having different amounts of monoacyl-phosphatidylcholine, could not be found. It could be clearly shown that the deepest skin penetration was seen in the irritating anionic SDS (sodium dodecyl sulfate) out of the aqueous solution. The aqueous suspensions based on different phospholipid surfactants showed the same range of penetration depth (10-15% of SC), whereas the smallest skin penetration depth was observed after the application of liposomal formulations. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Investigation of the effect of pomegranate extract and monodisperse silver nanoparticle combination on MCF-7 cell line.

    PubMed

    Şahin, Birgütay; Demir, Enes; Aygün, Ayşenur; Gündüz, Hülya; Şen, Fatih

    2017-10-20

    In this study, we aimed to investigate whether the combination therapy of pomegranate extract and silver nanoparticle is effective on MCF-7 cell culture. The pomegranate extract was mixed and incubated with silver nitrate for the microwave assisted green synthesized of silver nanoparticle. Obtained nanoparticles were investigated using X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), UV-vis, Field Emission Scanning Electron Microscopy (FESEM), and Transmission Electron Microscopy (TEM) methods The spectroscopic and morphological studies of the monodisperse Ag NPs which have particle size of 15.4nm indicate the highly crystalline form, well dispersity, and colloidally stable NPs. After fully characterization of prepared nanoparticles, the effectiveness of Ag NPs was determined by evaluating cell viability, nuclear degradation and cell cycle parameters. The results obtained demonstrate that biosynthesized Ag NPs can inhibit the proliferation of human breast cancer cell line MCF-7 in the IC50 at a dose of 12.85μg/mL and inhibit the proliferation of Ag NPs against anti-growth arresting MCF-7 cell line. This case demonstrates that it may exert its proliferative effect by reducing DNA synthesis and apoptosis-inducing cell cycle stages. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Investigation of cracks in GaN films grown by combined hydride and metal organic vapor-phase epitaxial method

    NASA Astrophysics Data System (ADS)

    Liu, Jianming; Liu, Xianlin; Li, Chengming; Wei, Hongyuan; Guo, Yan; Jiao, Chunmei; Li, Zhiwei; Xu, Xiaoqing; Song, Huaping; Yang, Shaoyan; Zhu, Qinsen; Wang, Zhanguo; Yang, Anli; Yang, Tieying; Wang, Huanhua

    2011-12-01

    Cracks appeared in GaN epitaxial layers which were grown by a novel method combining metal organic vapor-phase epitaxy (MOCVD) and hydride vapor-phase epitaxy (HVPE) in one chamber. The origin of cracks in a 22-μm thick GaN film was fully investigated by high-resolution X-ray diffraction (XRD), micro-Raman spectra, and scanning electron microscopy (SEM). Many cracks under the surface were first observed by SEM after etching for 10 min. By investigating the cross section of the sample with high-resolution micro-Raman spectra, the distribution of the stress along the depth was determined. From the interface of the film/substrate to the top surface of the film, several turnings were found. A large compressive stress existed at the interface. The stress went down as the detecting area was moved up from the interface to the overlayer, and it was maintained at a large value for a long depth area. Then it went down again, and it finally increased near the top surface. The cross-section of the film was observed after cleaving and etching for 2 min. It was found that the crystal quality of the healed part was nearly the same as the uncracked region. This indicated that cracking occurred in the growth, when the tensile stress accumulated and reached the critical value. Moreover, the cracks would heal because of high lateral growth rate.

  12. The value of combining single photon emission computerised tomography and computerised tomography in the investigation of spondylolysis.

    PubMed

    Gregory, P L; Batt, M E; Kerslake, R W; Scammell, B E; Webb, J F

    2004-10-01

    The aim of this study was to assess the diagnostic value of combining single photon emission computerised tomography (SPECT) with reverse gantry computerised tomography (rg-CT) in the investigation of spondylolysis. Patient characteristics and imaging results in 118 patients, aged 8-44 years, with low back pain (LBP) were analysed. SPECT showed increased scintigraphic uptake in 80 patients, and spondylolysis was identified on rg-CT in 53. The Cohen Kappa ratio of 0.362 (95% CI: 0.198-0.526) suggests only fair agreement for the result of increased scintigraphic activity with the finding of spondylolysis on rg-CT. We conclude that these investigations give mutually exclusive information, which leads to four diagnostic categories. When there was increased scintigraphic activity on SPECT, 58.8% (95% CI: 48.0-69.5%) of patients had spondylolysis on rg-CT. With rest from provoking activities, these lesions may heal. We interpret the findings of increased scintigraphic activity, but no spondylolysis demonstrated on rg-CT as indicating a bone stress response. These also require rest from provoking activity to prevent a stress fracture developing. In this study, 84.2% (95% CI: 72.67-95.8%) of those patients without increased activity on SPECT had no spondylolysis identified on rg-CT. These patients may need further investigations such as magnetic resonance imaging (MRI) to diagnose pathology, which typically does not involve the posterior elements--but rest from sport may not be so important. There were five patients in our study, without increased scintigraphic activity, but in whom bilateral chronic-appearing (wide separation, smooth sclerotic bone margins) spondylolyses were identified at L5. These all were anticipated from previous plain radiographs or MRI. This group will almost certainly not heal, and if the spondylolyses are the cause of pain these vertebrae will need stabilisation by surgery if physiotherapy fails.

  13. Investigation of Arctic mixed-phase clouds during VERDI and RACEPAC: Combining airborne remote sensing and in situ observations

    NASA Astrophysics Data System (ADS)

    Ehrlich, André; Wendisch, Manfred

    2015-04-01

    To improve our understanding of Arctic mixed-phase clouds in sea-ice covered areas the airborne research campaign Vertical distribution of ice in Arctic mixed-phase clouds (VERDI, April/May 2012) and the Radiation-Aerosol-Cloud Experiment in the Arctic Circle (RACEPAC, April/May 2014) were initiated by a collaboration of German and French research institutes. The aircraft operated by the Alfred Wegener Institute for Polar and Marine Research, Germany were based in Inuvik, Canada from where the research flights of in total 149 flight hours (62 h during VERDI, 87 h during RACEPAC) were able to cover a wide area above the Canadian Beaufort. The aim of both campaigns was to combine remote sensing and in-situ cloud, aerosol and trace gas measurements to investigate interactions between radiation, cloud and aerosol particles. Remote sensing instrumentation contained a backscatter lidar and spectral solar radiation measurements including a hyperspectral camera. In-situ sampling was highlighted by a suit of comprehensive cloud particle probes, aerosol particle counters and mass spectroscopy as well as trace gas detectors. While during VERDI remote sensing and in-situ measurements were performed by one aircraft (Polar 5) subsequently, for RACEPAC two identical aircraft (Polar 5 & 6, Basler BT-67) were coordinated at different altitudes to horizontally collocate both remote sensing and in-situ measurements. In this way not only the combined analysis of radiative and microphysical processes in the clouds can by studied more reliably, also remote sensing methods can be validated efficiently. Here we will illustrate the scientific strategy of both projects including instrumentation and flight patterns of the research flights. Beside flight missions dedicated to sample low level clouds by remote sensing and in situ probing, flights were also coordinated with satellite overpasses and ground based stations. Exemplary results will be highlighted.

  14. Investigating Baseline, Alternative and Copula-based Algorithm for combining Airborne Active and Passive Microwave Observations in the SMAP Context

    NASA Astrophysics Data System (ADS)

    Montzka, C.; Lorenz, C.; Jagdhuber, T.; Laux, P.; Hajnsek, I.; Kunstmann, H.; Entekhabi, D.; Vereecken, H.

    2015-12-01

    The objective of the NASA Soil Moisture Active & Passive (SMAP) mission is to provide global measurements of soil moisture and freeze/thaw states. SMAP integrates L-band radar and radiometer instruments as a single observation system combining the respective strengths of active and passive remote sensing for enhanced soil moisture mapping. Airborne instruments will be a key part of the SMAP validation program. Here, we present an airborne campaign in the Rur catchment, Germany, in which the passive L-band system Polarimetric L-band Multi-beam Radiometer (PLMR2) and the active L-band system F-SAR of DLR were flown simultaneously on the same platform on six dates in 2013. The flights covered the full heterogeneity of the area under investigation, i.e. all types of land cover and experimental monitoring sites with in situ sensors. Here, we used the obtained data sets as a test-bed for the analysis of three active-passive fusion techniques: A) The SMAP baseline algorithm: Disaggregation of passive microwave brightness temperature by active microwave backscatter and subsequent inversion to soil moisture, B), the SMAP alternative algorithm: Estimation of soil moisture by passive sensor data and subsequent disaggregation by active sensor backscatter and C) Copula-based combination of active and passive microwave data. For method C empirical Copulas were generated and theoretical Copulas fitted both on the level of the raw products brightness temperature and backscatter as well as two soil moisture products. Results indicate that the regression parameters for method A and B are dependent on the radar vegetation index (RVI). Similarly, for method C the best performance was gained by generating separate Copulas for individual land use classes. For more in-depth analyses longer time series are necessary as can obtained by airborne campaigns, therefore, the methods will be applied to SMAP data.

  15. A Combined Ecological and Epidemiologic Investigation of Metals Exposure amongst Indigenous Peoples Near the Marlin Mine in Western Guatemala

    PubMed Central

    Basu, Niladri; Abare, Marce; Buchanan, Susan; Cryderman, Diana; Nam, Dong-Ha; Sirkin, Susannah; Schmitt, Stefan; Hu, Howard

    2016-01-01

    In August 2009 a combined epidemiological and ecological pilot study was conducted to investigate allegations of human rights abuses in the form of exposures to toxic metals experienced by mine workers and Indigenous Mam Mayan near the Marlin Mine in Guatemala. In the human study there were no differences in blood and urine metals when comparing five mine workers with eighteen non-mine workers, and there were no discernible relationships between metals exposures and self-reported health measures in any study group. On the other hand, individuals residing closest to the mine had significantly higher levels of certain metals (urinary mercury, copper, arsenic, zinc) when compared to those living further away. Levels of blood aluminum, manganese, and cobalt were elevated in comparison to established normal ranges in many individuals; however, there was no apparent relationship to proximity to the mine or occupation, and thus are of unclear significance. In the ecological study, several metals (aluminum, manganese, cobalt) were found significantly elevated in the river water and sediment sites directly below the mine when compared to sites elsewhere. When the results of the human and ecological results are combined, they suggest that exposures to certain metals may be elevated in sites near the mine but it is not clear if the current magnitude of these elevations poses a significant threat to health. The authors conclude that more robust studies are needed while parallel efforts to minimize the ecological and human impacts of mining proceed. This is critical particularly as the impact of the exposures found could be greatly magnified by expected increases in mining activity over time, synergistic toxicity between metals, and susceptibility for the young and those with pre-existing disease. PMID:20952048

  16. Fast Track Characterization of Highly Radioactive Waste Pits Combining Off-the-Shelf Robotics with Innovative Investigation Protocols

    SciTech Connect

    Chabeuf, Jean-Michel; Boya, Didier

    2008-01-15

    The investigation and characterization of radioactive waste pits and effluent storage tanks represents a substantial and challenging step in the overall decommissioning programme launched by AREVA NC in 1998 on the site of Marcoule on behalf of the French Atomic Energy commission. Physical ,radiological and regulatory constraints, combined with a tight schedule, have lead our teams to use proven conventional instrumentation and robotics in innovative configurations . One such investigation, conducted on a particularly challenging radioactive effluent storage pit, is described below. The 'H' pit is a stainless steel clad concrete cavity, located in the second basement of the de-cladding building of Marcoule site. It was used for forty years as buffer storage for high activity effluents and has a length of 5 meters, a width of 3 meters , a height of 2.5 meters, and is topped by lead plates over 5 cm thick and The bottom of the cavity is covered with a layer of mud containing mainly graphite, diatoms and resins. The mud level ranges from about 20 centimeters to over 50 centimeters. The overall mud volume is around 2.4 cubic meters. Ambient dose rates above the lead plates exceed 10 mSv/h. The main purpose of our investigation was to characterize the muds for future recovery and conditioning prior to decontaminating the pit. The history of the pit together with the varying mud altimetry lead us to believe that sedimentation had probably occurred throughout the years. We thus decided to combine dose rate measurements using IF104 probes, gamma spectroscopy with CdTe probes and sample collections at different depths to ensure the representativeness and full characterization of the muds. Poor access, ambient dose rates have lead us to conceive a robotic arm, mounted on an shaft which can be modified to fit a wide range of pits and tanks. Custom built robotic tools with maximum manoeuvrability generally involve costs and delays far exceeding our purposes. SIT, a French

  17. COMBINED GEOPHYSICAL INVESTIGATION TECHNIQUES TO IDENTIFY BURIED WASTE IN AN UNCONTROLLED LANDFILL AT THE PADUCAH GASEOUS DIFFUSION PLANT, KENTUCKY

    SciTech Connect

    Miller, Peter T.; Starmer, R. John

    2003-02-27

    The primary objective of the investigation was to confirm the presence and determine the location of a cache of 30 to 60 buried 55-gallon drums that were allegedly dumped along the course of the pre-existing, northsouth diversion ditch (NSDD) adjacent to permitted landfills at the Paducah Gaseous Diffusion Plant, Kentucky. The ditch had been rerouted and was being filled and re-graded at the time of the alleged dumping. Historic information and interviews with individuals associated with alleged dumping activities indicated that the drums were dumped prior to the addition of other fill materials. In addition, materials alleged to have been dumped in the ditch, such as buried roofing materials, roof flashing, metal pins, tar substances, fly ash, and concrete rubble complicated data interpretation. Some clean fill materials have been placed over the site and graded. This is an environment that is extremely complicated in terms of past waste dumping activities, construction practices and miscellaneous landfill operations. The combination of site knowledge gained from interviews and research of existing site maps, variable frequency EM data, classical total magnetic field data and optimized GPR lead to success where a simpler less focused approach by other investigators using EM-31 and EM-61 electromagnetic methods and unfocused ground penetrating radar (GPR)did not produce results and defined no real anomalies. A variable frequency electromagnetic conductivity unit was used to collect the EM data at 3,030 Hz, 5,070 Hz, 8,430 Hz, and 14,010 Hz. Both in-phase and quadrature components were recorded at each station point. These results provided depth estimates for targets and some information on the subsurface conditions. A standard magnetometer was used to conduct the magnetic survey that showed the locations and extent of buried metal, the approximate volume of ferrous metal present within a particular area, and allowed estimation of approximate target depths. The GPR

  18. Combination of Methods for the Fractionation, Investigation, and Analysis of Micro/Nano Particles in Volcanic Ash

    NASA Astrophysics Data System (ADS)

    Valeriy, Shkinev; Michail, Ermolin; Peter, Fedotov; Aleksander, Rudnev; Nikolay, Bulychev; Vitaliy, Linnik; Gerardo, Moreno

    2013-04-01

    resulted in the formation of sulfuric acid under atmospheric conditions. A combination of methods were used for the fractionation (dry sieving, membrane filtration, sedimentation field-flow fractionation in a rotating coiled column), investigation (capillary electrophoresis, scanning electron microscopy), and analysis (ICP MS, ICP-AES) of volcanic ash samples. The combination of fractionation techniques were chosen taking into account that (1) the efficiency of separation of particles for the subsequent technique should be higher than for the preceding one; (2) the separation principles of methods should be different (separation according size, density, charge etc.); (3) the initial separation should be carried out according to size, that makes possible to create an even scale for various samples. It has been shown experimentally that the combination of fractionation methods give a possibility to separate and analyze the fractions from 10 nm to 100 μm and to obtain an information about the distribution of elements. In particular, it is founded that nearly 20% of Be, K, Bi, Th, Fe, As, Tl, Ti, W, Hf, and Zr are removed from the ash into the s

  19. A combination of stereological methods, biochemistry and electron microscopy for the investigation of drug treatment effects in experimental animals.

    PubMed

    De Moraes, Alan C N; Andrade, Cherley B V; Salata, Camila; Nascimento, Ana L R; Ramos, Isalira P; Goldenberg, Regina C S; Carvalho, Jorge J; Machado, Ana C S

    2016-03-01

    Some chemotherapeutic agents used for breast cancer (BC) treatment can induce severe side effects in the ovarian tissue. The combination of cyclophosphamide and docetaxel (TC) is widely used for BC treatment; however, its late effects in the ovary are not completely understood. The main purpose of this study was to evaluate the structural and ultrastructural alterations in the ovarian stroma induced by TC treatment. Wistar rats were divided into two groups: a control group and a TC group. They were euthanized 5 months after the end of treatment, and their plasma and ovaries were collected. Important alterations were noted. The serum estradiol level was significantly reduced in the TC group compared with the control group. Additionally, the number of apoptotic nuclei was higher in the TC group. The role of the inflammatory response in the development of ovarian damage was investigated, and we found an increased number of mast cells and increased expression of TNF-α in the TC group. The involvement of fibrosis was also investigated. The results showed that the TC group had increased expression levels of TGF-β1, collagen type I (col-I) and collagen type III (col-III) compared with the control group. Ultrastructural analysis revealed the presence of collagen fibrils in the treated group and illustrated that the ovarian tissue architecture was more disorganized in this group than in the control group. The results from this study are important in the study of chemotherapy-induced ovarian failure and provide further insight into the mechanisms involved in the development of this disease. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

  20. Field-scale investigation of enhanced petroleum hydrocarbon biodegradation in the vadose zone combining soil venting as an oxygen source with moisture and nutrient addition. Appendices. Doctoral thesis

    SciTech Connect

    Miller, R.N.

    1990-01-01

    This document contains appendices regarding a reprint on a field scale investigation of enhanced petroleum hydrocarbon biodegradation in the vadose zone combining soil venting as a oxygen source with moisture and nutrient addition.

  1. Investigation of an active film coating to prepare new fixed-dose combination tablets for treatment of diabetes.

    PubMed

    Kim, Ju-Young; Kim, Dong-Wook; Kuk, Yun-Mo; Park, Chun-Woong; Rhee, Yun-Seok; Oh, Tack-Oon; Weon, Kwon-Yeon; Park, Eun-Seok

    2012-05-10

    The aim of the present study was to formulate new fixed-dose combination tablets (FCTs) by coating a glimepiride (GLM) immediate-release (IR) layer on a metformin hydrochloride (MTF) extended-release (ER) core tablet using perforated film coating equipment. Composition of GLM-IR coating suspension for homogeneity was studied and application of near-infrared spectroscopy (NIR) to determine the end-point of the coating process was also investigated. The final product was administered to healthy male volunteers and its pharmacokinetic parameters were analyzed. GLM-IR coating suspension was prepared with a ratio of SLS to GLM at 0.75 for homogeneity. An inert mid-layer was introduced to prevent contact between MTF-ER core tablet and GLM-IR layer, which led to an increased release rate of GLM in pH 7.8 medium. The proportional correlation was confirmed between analytical results of GLM determined by NIRS and those by HPLC-UV. Thus, the end-point of the GLM coating process was determined by NIRS, the fast and non-destructive method. New FCTs were confirmed to be bioequivalent to the marketed product. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. Combined multispectroscopic and molecular dynamics simulation investigation on the interaction between cyclosporine A and β-lactoglobulin.

    PubMed

    Mohseni-Shahri, Fatemeh S; Moeinpour, Farid; Malaekeh-Nikouei, Bizhan; Nassirli, Hooriyeh

    2017-02-01

    β-Lactoglobulin (β-LG), the major whey protein in milks of many mammals, has a high affinity for a wide range of compounds. Cyclosporine A (CsA), is an immunosuppressant drug mainly prescribe in organ transplantation to prevent rejection. In this study, the interaction of CsA with β-LG was investigated using various spectroscopic techniques (UV-visible and fluorescence) in an aqueous medium at two temperatures of 298 and 310K in combination with a molecular dynamics simulation study. The titration results indicated that CsA quenched the fluorescence intensity of β-LG through a static mechanism. The binding constants for the binding of CsA to β-LG at two different temperatures 298 and 310K were obtained 1.12×10(5) and 0.87×10(5)M(-1), respectively. Thermodynamic data indicated that the hydrophobic interactions and hydrogen bonds dominate in the binding site. Results of fluorescence resonance energy transfer (FRET) measurements suggest that resonance energy transfer occurs between β-LG and CsA. Moreover, MD simulation results implied that CsA can interact with β-LG, without affecting the secondary structure of β-LG. Experimental and MD simulations data reciprocally supported each other. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Combined experimental and theoretical investigation of the hemi-squaraine/TiO2 interface for dye sensitized solar cells.

    PubMed

    Cicero, Giancarlo; Musso, Giorgia; Lamberti, Andrea; Camino, Bruno; Bianco, Stefano; Pugliese, Diego; Risplendi, Francesca; Sacco, Adriano; Shahzad, Nadia; Ferrari, Anna Maria; Ballarin, Barbara; Barolo, Claudia; Tresso, Elena; Caputo, Giuseppe

    2013-05-21

    A simple hemi-squaraine dye (CT1) has been studied as a TiO2 sensitizer for application in dye sensitized solar cells (DSCs) by means of a combined experimental and theoretical investigation. This molecule is a prototype dye presenting an innovative anchoring group: the squaric acid moiety. Ab initio calculations based on Density Functional Theory (DFT) predict that this acid spontaneously deprotonates at the anatase (101) surface forming chemical bonds that are stronger than the ones formed by other linkers (e.g. cathecol and isonicotinic acid). Moreover an analysis of the electronic structure of the hybrid interface reveals the formation of a type II heterostructure ensuring adiabatic electron transfer from the molecule to the oxide. DSCs containing hemi-squaraine dyes were assembled, characterized and their performances compared to state of the art cells. Experimental results (large incident photon-to-electron conversion efficiency and an efficiency of 3.54%) confirmed the theoretical prediction that even a simple hemi-squaraine is an effective sensitizer for TiO2. Our study paves the way to the design of more efficient sensitizers based on a squaric acid linker and specifically engineered to absorb light in a larger part of the visible range.

  4. Small scale model static acoustic investigation of hybrid high lift systems combining upper surface blowing with the internally blown flap

    NASA Technical Reports Server (NTRS)

    Cole, T. W.; Rathburn, E. A.

    1974-01-01

    A static acoustic and propulsion test of a small radius Jacobs-Hurkamp and a large radius Flex Flap combined with four upper surface blowing (USB) nozzles was performed. Nozzle force and flow data, flap trailing edge total pressure survey data, and acoustic data were obtained. Jacobs-Hurkamp flap surface pressure data, flow visualization photographs, and spoiler acoustic data from the limited mid-year tests are reported. A pressure ratio range of 1.2 to 1.5 was investigated for the USB nozzles and for the auxiliary blowing slots. The acoustic data were scaled to a four-engine STOL airplane of roughly 110,000 kilograms or 50,000 pounds gross weight, corresponding to a model scale of approximately 0.2 for the nozzles without deflector. The model nozzle scale is actually reduced to about .17 with deflector although all results in this report assume 0.2 scale factor. Trailing edge pressure surveys indicated that poor flow attachment was obtained even at large flow impingement angles unless a nozzle deflector plate was used. Good attachment was obtained with the aspect ratio four nozzle with deflector, confirming the small scale wind tunnel tests.

  5. Investigation of oxygen self-diffusion in PuO2 by combining molecular dynamics with thermodynamic calculations

    DOE PAGES

    Saltas, V.; Chroneos, A.; Cooper, Michael William D.; ...

    2016-01-01

    In the present work, the defect properties of oxygen self-diffusion in PuO2 are investigated over a wide temperature (300–1900 K) and pressure (0–10 GPa) range, by combining molecular dynamics simulations and thermodynamic calculations. Based on the well-established cBΩ thermodynamic model which connects the activation Gibbs free energy of diffusion with the bulk elastic and expansion properties, various point defect parameters such as activation enthalpy, activation entropy, and activation volume were calculated as a function of T and P. Molecular dynamics calculations provided the necessary bulk properties for the proper implementation of the thermodynamic model, in the lack of any relevantmore » experimental data. The estimated compressibility and the thermal expansion coefficient of activation volume are found to be more than one order of magnitude greater than the corresponding values of the bulk plutonia. As a result, the diffusion mechanism is discussed in the context of the temperature and pressure dependence of the activation volume.« less

  6. Investigation of oxygen self-diffusion in PuO2 by combining molecular dynamics with thermodynamic calculations

    SciTech Connect

    Saltas, V.; Chroneos, A.; Cooper, Michael William D.; Fitzpatrick, M. E.; Vallianatos, F.

    2016-01-01

    In the present work, the defect properties of oxygen self-diffusion in PuO2 are investigated over a wide temperature (300–1900 K) and pressure (0–10 GPa) range, by combining molecular dynamics simulations and thermodynamic calculations. Based on the well-established cBΩ thermodynamic model which connects the activation Gibbs free energy of diffusion with the bulk elastic and expansion properties, various point defect parameters such as activation enthalpy, activation entropy, and activation volume were calculated as a function of T and P. Molecular dynamics calculations provided the necessary bulk properties for the proper implementation of the thermodynamic model, in the lack of any relevant experimental data. The estimated compressibility and the thermal expansion coefficient of activation volume are found to be more than one order of magnitude greater than the corresponding values of the bulk plutonia. As a result, the diffusion mechanism is discussed in the context of the temperature and pressure dependence of the activation volume.

  7. A combined droplet train and ambient pressure photoemission spectrometer for the investigation of liquid/vapor interfaces

    SciTech Connect

    Starr, David E.; Wong, Ed K.; Worsnop, Douglas R.; Wilson, Kevin R.; Bluhm, Hendrik

    2008-05-01

    We describe a combined ambient pressure photoelectron spectroscopy/droplet train apparatus for investigating the nature and heterogeneous chemistry of liquid/vapor interfaces. In this instrument a liquid droplet train with typical droplet diameters from 50...150 {micro}m is produced by a vibrating orifice aerosol generator (VOAG). The droplets are irradiated by soft X-rays (100...1500 eV) in front of the entrance aperture of a differentially pumped electrostatic lens system that transfers the emitted electrons into a conventional hemispherical electron analyzer. The photoemission experiments are performed at background pressures of up to several Torr, which allows the study of environmentally important liquid/vapor interfaces, in particular aqueous solutions, under equilibrium conditions. The exposure time of the droplet surface to the background gases prior to the XPS measurement can be varied, which will allow future kinetic measurements of gas uptake on liquid surfaces. As an example, a measurement of the surface composition of a {chi} = 0.21 aqueous methanol solution is presented. The concentration of methanol at the vapor/liquid interface is enhanced by a factor of about 3 over the bulk value, while the expected bulk value is recovered at depths larger than about 1.5 nm.

  8. Experimental investigation on lower nuisance alarm rate phase-sensitive OTDR using the combination of a Mach-Zehnder interferometer

    NASA Astrophysics Data System (ADS)

    Liang, Sheng; Sheng, Xinzhi; Lou, Shuqin

    2016-03-01

    Phase-sensitive optical time domain reflectometer (φ-OTDR) currently suffers from high nuisance alarm rate (NAR) due to fluctuation of scattering light intensity, nonlinear coherent addition, and ambient noises in complicated noisy environments. In order to lower NAR, a φ-OTDR combined with a Mach-Zehnder interferometer (MZI) is proposed and experimentally demonstrated. In this system, φ-OTDR takes the role of detecting and locating the disturbance and MZI verifies the real disturbance by using an alarm threshold. Experimental results demonstrate that NAR of φ-OTDR with MZI can be efficiently reduced to ∼1% from ∼15% of a single φ-OTDR and a high probability of detection of ∼97% is achieved. Furthermore, the dependences of NAR and probability of detection on the pulse width and sampling rate is investigated. When the pulse width is changed from 0.1 to 1 μs and sampling rate vary in the range from 10 to 50 MS/s, NAR and probability of detection only exist a little fluctuation. The proposed scheme is helpful to reduce NAR of the current single φ-OTDR without introduction of complicated algorithm and also have simple configuration with low cost.

  9. Scanning tunneling microscope investigations of organic heterostructures prepared by a combination of self-assembly and molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Staub, R.; Toerker, M.; Fritz, T.; Schmitz-Hübsch, T.; Sellam, F.; Leo, K.

    2000-01-01

    We report the realization of organic-organic heteroepitaxy by combining liquid-phase self-assembly with ultrahigh vacuum (UHV) gas-phase molecular beam epitaxy. As a model system, we have used self-assembled monolayers (SAMs) prepared by exposing an Au(111)-mica substrate to a dilute solution of decanethiol in ethanol, with subsequent evaporation of 3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA) dye molecules. The well-known (3×3)R30° superstructure of almost upright standing molecules after chemisorption is replaced by the 11.5×3 (33.2 Å) pin-stripe phase with flat lying molecules when the samples are annealed in UHV and coverage decreases. The deposition of PTCDA induces reordering and displacement in the decanethiol SAM. Additional to the 33.2 Å periodicity, the previously reported 22 Å thiol stripe phase can be observed by scanning tunneling microscopy. Several PTCDA structures are observed: single and double rows of PTCDA that grow along decanethiol stripes on top of the flat-lying alkane chain groups, as well as densely packed PTCDA monolayer domains embedded into the thiol layer. These exhibit the well-known herringbone structure or a novel square lattice structure. We have also investigated thicker PTCDA islands and observed molecular resolution for a thickness of several monolayers. The structure of the three-dimensional islands can be identified as the α bulk modification.

  10. Feasibility study on oil droplet flow investigations inside aero engine bearing chambers -- PDPA techniques in combination with numerical approaches

    SciTech Connect

    Glahn, A.; Kurreck, M.; Willmann, M.; Wittig, S.

    1996-10-01

    The present paper deals with oil droplet flow phenomena in aero engine bearing chambers. An experimental investigation of droplet sizes and velocities utilizing a Phase Doppler Particle Analyzer (PDPA) has been performed for the first time in bearing chamber atmospheres under real engine conditions. Influences of high rotational speeds are discussed for individual droplet size classes. Although this is an important contribution to a better understanding of the droplet flow impact on secondary air/oil system performance, an analysis of the droplet flow behavior requires an incorporation of numerical methods because detailed measurements as performed here suffer from both strong spatial limitations with respect to the optical accessibility in real engine applications and constraints due to the extremely time-consuming nature of an experimental flow field analysis. Therefore, further analysis is based on numerical methods. Droplets characterized within the experiments are exposed to the flow field of the gaseous phase predicted by use of the well-known CFD code EPOS. The droplet trajectories and velocities are calculated within a Lagrangian frame of reference by forward numerical integration of the particle momentum equation. This paper has been initiated rather to show a successful method of bearing chamber droplet flow analysis by a combination of droplet sizing techniques and numerical approaches than to present field values as a function of all operating parameters. However, a first insight into the complex droplet flow phenomena is given and specific problems in bearing chamber heat transfer are related to the droplet flow.

  11. Numerical Investigation of Cowl Lip Adjustments for a Rocket-Based Combined-Cycle Inlet in Takeoff Regime

    NASA Astrophysics Data System (ADS)

    Shi, Lei; Liu, Xiaowei; He, Guoqiang; Qin, Fei; Wei, Xianggeng; Yang, Bing; Wu, Lele

    2016-09-01

    Numerical integration simulations were performed on a ready-made central strut-based rocket-based combined-cycle (RBCC) engine operating in the ejector mode during the takeoff regime. The effective principles of various cowl lip positions and shapes on the inlet operation and the overall performance of the entire engine were investigated in detail. Under the static condition, reverse cowl lip rotation in a certain range was found to contribute comprehensive improvement to the RBCC inlet and the entire engine. However, the reverse rotation of the cowl lip contributed very little enhancement of the RBCC inlet under the low subsonic flight regime and induced extremely negative impacts in the high subsonic flight regime, especially in terms of a significant increase in the drag of the inlet. Changes to the cowl lip shape provided little improvement to the overall performance of the RBCC engine, merely shifting the location of the leeward area inside the RBCC inlet, as well as the flow separation and eddy, but not relieving or eliminating those phenomena. The results of this study indicate that proper cowl lip rotation offers an efficient variable geometry scheme for a RBCC inlet in the takeoff regime.

  12. Natural vs. Anthropogenic: Combined Measurements of Methane and Volatile Organic Compounds (VOCs) for Investigating Sources of Methane Emissions

    NASA Astrophysics Data System (ADS)

    Zannoni, N.; Assan, S.; Gros, V.; Laville, P.; Loubet, B.; Ciuraru, R.; Baisnee, D.; Bonsang, B.; Sarda Esteve, R.; Chuppin, G.; Truong, F.; Lafouge, F.; Vogel, F. R.

    2016-12-01

    Methane is the second globally most abundant anthropogenic greenhouse gas, whose emissions contribute more than 1/3 of today's additional anthropogenic warming. Methane is emitted from the production and transport of coal, oil and natural gas, as well as from livestock and agricultural practices as well as from natural sources such as e.g. wetlands, freshwaters and wild fauna. Volatile organic compounds constitute less than 0.1% of the total atmospheric composition; however, their emissions and further atmospheric photo-oxidation reactions produce ozone and secondary organic aerosols which have adverse effects on climate and air quality. We measured the concentration of methane and volatile organic compounds (VOCs) over a winter wheat (Triticum aestivum) cropland located in the North-West of Europe during June 2016. The measurements site was located nearby a farm and a methanizer bioreactor, therefore was affected by contrasted sources of emissions: agricultural practices, enteric digestion of livestock, animal manures as well as possible leakages from the biogas unit. Here, measurements of methane, its isotopic composition, and VOCs concentrations are combined to investigate the fingerprint of these sources. Specifically, VOCs, as alkanes which are co-emitted by natural gas, and other compounds as ammonia and NOx will help to unravel the different sources contributions.

  13. Rock and stone weathering at Citadel fortifications, Gozo (Malta): benefits from terrestrial laser scanning combined with conventional investigations

    NASA Astrophysics Data System (ADS)

    Tapete, D.; Gigli, G.; Mugnai, F.; Vannocci, P.; Pecchioni, E.; Morelli, S.; Fanti, R.; Casagli, N.

    2012-04-01

    Military architecture heritage is frequently built on rock masses affected by slope instability and weathering processes, which progressively undermine the foundations and cause collapses and toppling of the masonries. The latter can be also weakened by alteration of the stone surfaces, as a consequence of the interactions with the local environmental conditions. These conservation issues are emphasized for those sites, whose susceptibility to structural damages is also due to the similarity between the lithotypes constituting the geologic substratum and the construction materials. Effective solutions for the protection from such a type of phenomena can be achieved if the whole "rock mass - built heritage system" is analyzed. In this perspective, we propose a new approach for the study of the weathering processes affecting historic hilltop sites, taking benefits from the combination of terrestrial laser scanning (TLS) and conventional investigations, the latter including geotechnical and minero-petrographic analyses. In particular, the results here presented were obtained from specific tests on the fortifications of Citadel, Gozo (Malta), performed in co-operation with the Restoration Unit, Works Division, Maltese Ministry for Resources and Rural Affairs and the private company Politecnica Ingegneria e Architettura. The Citadel fortifications are built at the top of a relatively stiff and brittle limestone plate, formed by Upper Coralline Limestone (UCL) and overlying a thick Blue Clay (BC) layer. Differential weathering creates extensively fractured ledges on the cap and erosion niches in the strata beneath, thereby favouring block detachment, even rockfall events, such as the last one occurred in 2001. The locally quarried Globigerina Limestone (GL), historically employed in restoration masonries, is also exposed to alveolization and powdering, and several collapses damaged the underwalling interventions. Since the erosion pattern distribution suggested a

  14. Numerical Investigation of Sheath and Aerosol Flows in the Flow Combination Section of a Baron Fiber Classifier

    PubMed Central

    Dubey, Prahit; Ghia, Urmila; Turkevich, Leonid A.

    2015-01-01

    The Baron fiber classifier is an instrument used to separate fibers by length. The flow combination section (FCS) of this instrument is an upstream annular region, where an aerosol of uncharged fibers is introduced along with two sheath flows; length separation occurs by dielectrophoresis downstream in the flow classification section. In its current implementation at NIOSH, the instrument is capable of processing only very small quantities of fibers. In order to prepare large quantities of length-separated fibers for toxicological studies, the throughput of the instrument needs to be increased, and hence, higher aerosol flow rates need to be considered. However, higher aerosol flow rates may give rise to flow separation or vortex formation in the FCS, arising from the sudden expansion of the aerosol at the inlet nozzle. The goal of the present investigation is to understand the interaction of the sheath and aerosol flows inside the FCS, using computational fluid dynamics (CFD), and to identify possible limits to increasing aerosol flow rates. Numerical solutions are obtained using an axisymmetric model of the FCS, and solving the Navier-Stokes equations governing these flows; in this study, the aerosol flow is treated purely aerodynamically. Results of computations are presented for four different flow rates. The geometry of the converging outer cylinder, along with the two sheath flows, is effective in preventing vortex formation in the FCS for aerosol-to-sheath flow inlet velocity ratios below ~ 50. For higher aerosol flow rates, recirculation is observed in both inner and outer sheaths. Results for velocity, streamlines, and shear stress are presented. PMID:26388662

  15. An Investigation of Horizontal Combined Eye-Head Tracking in Patients with Abnormal Vestibular and Smooth Pursuit Eye Movements

    NASA Technical Reports Server (NTRS)

    Huebner, William P.; Leigh, R. John; Seidman, Scott H.; Billian, Carl

    1993-01-01

    We investigated the interaction of smooth ocular pursuit (SP) and the vestibulo-ocular reflex (VOR) during horizontal, combined eye-head tracking (CEHT) in patients with abnormalities of either the VOR or SP movements. Our strategy was to apply transient stimuli that capitalized on the different latencies to onset of SP and the VOR. During CEHT of a target moving at 15 deg/sec, normal subjects and patients with VOR deficits all tracked the target with a gain close to 1.O. When the heads of normal subjects were suddenly and unexpectedly braked to a halt during CEHT, the eye promptly began to move in the orbit to track the target, but eye-in-orbit velocity transiently fell to about 60-70% of target velocity. In patients with deficient labyrinthine function, following the onset of the head brake, eye movements to track the target were absent, and SP movements were not generated until about 100 msec later. In patients with deficient SP, CEHT was superior to SP tracking with the head stationary; after the onset of the head brake, tracking eye movements were initiated promptly, but eye velocity was less than 50% of target velocity and increased only slightly thereafter. These results indicate that at least two mechanisms operate to overcome the VOR and allow gaze to track the target during CEHT: (1) the SP system provides a signal to cancel a normally-operating VOR (this cancellation signal is not needed by labyrinthine-deficient patients who have no VOR to cancel), and (2) a reduction of the gain of the VOR is achieved, an ability that is preserved even in patients with cerebral lesions that impair SP.

  16. Numerical Investigation of Sheath and Aerosol Flows in the Flow Combination Section of a Baron Fiber Classifier.

    PubMed

    Dubey, Prahit; Ghia, Urmila; Turkevich, Leonid A

    The Baron fiber classifier is an instrument used to separate fibers by length. The flow combination section (FCS) of this instrument is an upstream annular region, where an aerosol of uncharged fibers is introduced along with two sheath flows; length separation occurs by dielectrophoresis downstream in the flow classification section. In its current implementation at NIOSH, the instrument is capable of processing only very small quantities of fibers. In order to prepare large quantities of length-separated fibers for toxicological studies, the throughput of the instrument needs to be increased, and hence, higher aerosol flow rates need to be considered. However, higher aerosol flow rates may give rise to flow separation or vortex formation in the FCS, arising from the sudden expansion of the aerosol at the inlet nozzle. The goal of the present investigation is to understand the interaction of the sheath and aerosol flows inside the FCS, using computational fluid dynamics (CFD), and to identify possible limits to increasing aerosol flow rates. Numerical solutions are obtained using an axisymmetric model of the FCS, and solving the Navier-Stokes equations governing these flows; in this study, the aerosol flow is treated purely aerodynamically. Results of computations are presented for four different flow rates. The geometry of the converging outer cylinder, along with the two sheath flows, is effective in preventing vortex formation in the FCS for aerosol-to-sheath flow inlet velocity ratios below ~ 50. For higher aerosol flow rates, recirculation is observed in both inner and outer sheaths. Results for velocity, streamlines, and shear stress are presented.

  17. An Investigation of Horizontal Combined Eye-Head Tracking in Patients with Abnormal Vestibular and Smooth Pursuit Eye Movements

    NASA Technical Reports Server (NTRS)

    Huebner, William P.; Leigh, R. John; Seidman, Scott H.; Billian, Carl

    1993-01-01

    We investigated the interaction of smooth ocular pursuit (SP) and the vestibulo-ocular reflex (VOR) during horizontal, combined eye-head tracking (CEHT) in patients with abnormalities of either the VOR or SP movements. Our strategy was to apply transient stimuli that capitalized on the different latencies to onset of SP and the VOR. During CEHT of a target moving at 15 deg/sec, normal subjects and patients with VOR deficits all tracked the target with a gain close to 1.O. When the heads of normal subjects were suddenly and unexpectedly braked to a halt during CEHT, the eye promptly began to move in the orbit to track the target, but eye-in-orbit velocity transiently fell to about 60-70% of target velocity. In patients with deficient labyrinthine function, following the onset of the head brake, eye movements to track the target were absent, and SP movements were not generated until about 100 msec later. In patients with deficient SP, CEHT was superior to SP tracking with the head stationary; after the onset of the head brake, tracking eye movements were initiated promptly, but eye velocity was less than 50% of target velocity and increased only slightly thereafter. These results indicate that at least two mechanisms operate to overcome the VOR and allow gaze to track the target during CEHT: (1) the SP system provides a signal to cancel a normally-operating VOR (this cancellation signal is not needed by labyrinthine-deficient patients who have no VOR to cancel), and (2) a reduction of the gain of the VOR is achieved, an ability that is preserved even in patients with cerebral lesions that impair SP.

  18. Investigation of a Combined Mnemonic Strategy for Teaching the Order of U.S. Presidents. Working Paper No. 307.

    ERIC Educational Resources Information Center

    Levin, Joel R.; And Others

    A study combined a simple mnemonic counting system with the keyword method to determine whether the keyword vocabulary methods can be effectively combined with other mnemonic strategies to facilitate coding of numerically ordered information. This system was then taught to 48 eighth-grade students in the context of learning the names and numbers…

  19. Investigating Marine Boundary Layer Parameterizations for Improved Off-Shore Wind Predictions by Combining Observations with Models via State Estimation

    NASA Astrophysics Data System (ADS)

    Delle Monache, Luca; Hacker, Josh; Kosovic, Branko; Lee, Jared; Vandenberghe, Francois; Wu, Yonghui; Clifton, Andrew; Hawkins, Sam; Nissen, Jesper; Rostkier-Edelstein, Dorita

    2014-05-01

    Despite advances in model representation of the spatial and temporal evolution of the atmospheric boundary layer (ABL) a fundamental understanding of the processes shaping the Marine Boundary Layer (MBL) is still lacking. As part of a project funded by the U.S. Department of Energy, we are tackling this problem by combining available atmosphere and ocean observations with advanced coupled atmosphere-wave models, and via state estimation (SE) methodologies. The over-arching goal is to achieve significant advances in the scientific understanding and prediction of the underlying physical processes of the MBL, with an emphasis on the coupling between the atmosphere and the ocean via momentum and heat fluxes. We are using the single-column model (SCM) and three-dimensional (3D) versions of the Weather Research and Forecasting (WRF) model, observations of MBL structure as provided by coastal and offshore remote sensing platforms and meteorological towers, and probabilistic SE. We are systematically investigating the errors in the treatment of the surface layer of the MBL, identifying structural model inadequacies associated with its representation. We expect one key deficiency of current model representations of the surface layer of the MBL that can have a profound effect on fluxes estimates: the use of Monin-Obukhov similarity theory (MOST). This theory was developed for continental ABLs using land-based measurements, which accounts for mechanical and thermal forcing on turbulence but neglects the influence of ocean waves. We have developed an atmosphere-wave coupled modeling system by interfacing WRF with a wave model (Wavewatch III - WWIII), which is used for evaluating errors in the representation of wave-induced forcing on the energy balance at the interface between atmosphere and ocean. The Data Assimilation Research Testbed (DART) includes the SE algorithms that provide the framework for obtaining spatial and temporal statistics of wind-error evolution (and hence

  20. In situ mechanical and molecular investigations of collagen/apatite biomimetic composites combining Raman spectroscopy and stress-strain analysis.

    PubMed

    Chatzipanagis, Konstantinos; Baumann, Christoph G; Sandri, Monica; Sprio, Simone; Tampieri, Anna; Kröger, Roland

    2016-12-01

    We report the design, fabrication and application of a novel micro-electromechanical device coupled to a confocal Raman microscope that enables in situ molecular investigations of micro-fibers under uniaxial tensile load. This device allows for the mechanical study of micro-fibers with diameters in the range between 10 and 100μm and lengths of several hundred micrometers. By exerting forces in the mN range, the device enables an important force range to be accessed between that of atomic force microscopy and macroscopic stress-strain measurement devices. The load is varied using a stiffness-calibrated glass micro-needle driven by a piezo-translator during simultaneous Raman microscopy imaging. The method enables experiments probing the molecular response of micro-fibers to external stress. This set-up was applied to biomimetic non-mineralized and mineralized collagen micro-fibers revealing that above 30% mineralization the proline-related Raman band shows a pronounced response to stress, which is not observed in non-mineralized collagen. This molecular response coincides with a strong increase in the Young's modulus from 0.5 to 6GPa for 0% and 70% mineralized collagen, respectively. Our results are consistent with a progressive interlocking of the collagen triple-helices by apatite nanocrystals as the degree of mineralization increases. Collagen and apatite are the main constituents regulating the mechanical properties of bone. Hence, an improved understanding of the impact of mineralization on these properties is of large interest for the scientific community. This paper presents systematic studies of synthetic collagen microfibers with increasing apatite content and their response to tensile stress by using a novel self-made electromechanical device combined with a Raman spectrometer for molecular level studies. The impact of apatite on the mechanical and molecular response of collagen is evaluated giving important insights into the interaction between the

  1. Combined Raman-LIBS Studies on Iron Sulfides to Investigate the Effect of the LIBS Plasma on the Mineral Composition

    NASA Astrophysics Data System (ADS)

    Alsemgeest, J.; Schröder, S.; Böttger, U.; Pavlov, S. G.; Weber, I.; Greshake, A.; Knöfler, H.-R.; Altenberger, U.; Hübers, H.-W.

    2016-08-01

    Iron sulfides, analyzed under martian conditions, show alteration caused by LIBS. This means that, during robotic planetary exploration by combined LIBS-Raman, effects must be taken into account with the interpretation of post-LIBS Raman data.

  2. Design of phase I combination trials: recommendations of the Clinical Trial Design Task Force of the NCI Investigational Drug Steering Committee.

    PubMed

    Paller, Channing J; Bradbury, Penelope A; Ivy, S Percy; Seymour, Lesley; LoRusso, Patricia M; Baker, Laurence; Rubinstein, Larry; Huang, Erich; Collyar, Deborah; Groshen, Susan; Reeves, Steven; Ellis, Lee M; Sargent, Daniel J; Rosner, Gary L; LeBlanc, Michael L; Ratain, Mark J

    2014-08-15

    Anticancer drugs are combined in an effort to treat a heterogeneous tumor or to maximize the pharmacodynamic effect. The development of combination regimens, while desirable, poses unique challenges. These include the selection of agents for combination therapy that may lead to improved efficacy while maintaining acceptable toxicity, the design of clinical trials that provide informative results for individual agents and combinations, and logistic and regulatory challenges. The phase I trial is often the initial step in the clinical evaluation of a combination regimen. In view of the importance of combination regimens and the challenges associated with developing them, the Clinical Trial Design (CTD) Task Force of the National Cancer Institute Investigational Drug Steering Committee developed a set of recommendations for the phase I development of a combination regimen. The first two recommendations focus on the scientific rationale and development plans for the combination regimen; subsequent recommendations encompass clinical design aspects. The CTD Task Force recommends that selection of the proposed regimens be based on a biologic or pharmacologic rationale supported by clinical and/or robust and validated preclinical evidence, and accompanied by a plan for subsequent development of the combination. The design of the phase I clinical trial should take into consideration the potential pharmacokinetic and pharmacodynamic interactions as well as overlapping toxicity. Depending on the specific hypothesized interaction, the primary endpoint may be dose optimization, pharmacokinetics, and/or pharmacodynamics (i.e., biomarker).

  3. To Investigate the Therapeutic Efforts of the COX-2 Inhibitor NS-398 as a Single Agent, and in Combination with Vitamin D, in Vitro and in Vivo

    DTIC Science & Technology

    2008-01-01

    Combination with Vitamin D, in Vitro and in Vivo PRINCIPAL INVESTIGATOR: Yi-Fen Lee, Ph.D...NUMBER Single Agent, and in Combination with Vitamin D, in Vitro and in Vivo 5b. GRANT NUMBER W81XWH-05-1-0121 5c. PROGRAM ELEMENT NUMBER...progression. We have identified a cross-talk between vitamin D and COX-2 inhibitor, two chemopreventative agents for prostate cancer, and conducted series

  4. An Efficient Referencing And Sample Positioning System To Investigate Heterogeneous Substances With Combined Microfocused Synchrotron X-ray Techniques

    SciTech Connect

    Spangenberg, Thomas; Goettlicher, Joerg; Steininger, Ralph

    2009-01-29

    A referencing and sample positioning system has been developed to transfer object positions measured with an offline microscope to a synchrotron experimental station. The accuracy should be sufficient to deal with heterogeneous samples on micrometer scale. Together with an online fluorescence mapping visualisation the optical alignment helps to optimize measuring procedures for combined microfocused X-ray techniques.

  5. Investigation on the combined effect of cocaine and ethanol administration through a liquid chromatography-mass spectrometry metabolomics approach.

    PubMed

    Sánchez-López, Elena; Marcos, Alberto; Ambrosio, Emilio; Mayboroda, Oleg A; Marina, María Luisa; Crego, Antonio L

    2017-06-05

    Alcohol is the most widely consumed legal drug, whereas cocaine is the illicit psychostimulant most commonly used in Europe. The combined use of alcohol and cocaine is frequent among drug-abuse consumers and leads to further exacerbation of health consequences compared to individual consumption. The pharmacokinetic and metabolic interactions leading to an increase in their combined toxicity still remains poorly understood. Here, the first metabolomics study of combined cocaine and ethanol chronic exposure effects is reported. A Liquid Chromatography strategy based on sample derivatization with 9-fluorenylmethyloxycarbonyl chloride and using a C18 column coupled to high resolution Mass Spectrometry (time of flight analyzer) was employed to analyze plasma from rats exposed intravenously to these drugs in a 52-min analysis. Using a combination of non-supervised and supervised multivariate analysis the metabolic differences between our experimental groups were explored and unraveled. A comparative analysis of the individual models and their variable importance in the projection values have shown that every experiment intervention includes a subset of specific metabolites. Eleven of these metabolites were annotated, where eight were unequivocally identified using standards and three were tentatively identified by matching the MS/MS spectra to libraries. The results demonstrated that the affected metabolic pathways were mainly those related to the metabolism of different amino acids. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Investigation of bioequivalence of a new fixed-dose combination of nifedipine and candesartan with the corresponding loose combination as well as the drug-drug interaction potential between both drugs under fasting conditions.

    PubMed

    Brendel, Erich; Weimann, Boris; Dietrich, Hartmut; Froede, Christoph; Thomas, Dirk

    2013-09-01

    To determine the bioequivalence of a nifedipine and candesartan fixed-dose combination (FDC) with the corresponding loose combination, and to investigate the pharmacokinetic drug-drug interaction potential between both drugs. 49 healthy, white, male subjects received: 60 mg nifedipine and 32 mg candesartan FDC, the loose combination of 60 mg nifedipine GITS and 32 mg candesartan, 60 mg nifedipine GITS alone, or 32 mg candesartan alone in a randomized, non-blinded, 4-period, 4-way crossover design with each dosing following overnight fasting. Treatment periods were separated by washout periods of ≥ 5 days. Plasma samples were collected for 48 hours after dosing and assayed using a validated LC-MS/MS method. Bioequivalence between the FDC and the loose combination as well as the impact of combined treatment with both drugs on candesartan pharmacokinetics was evaluated in 47 subjects, while the corresponding impact of treatment with both drugs on nifedipine pharmacokinetics was assessed in 46 patients. For AUC(0-tlast) and Cmax the 90% confidence intervals (CIs) for the ratios of the FDC vs. the corresponding loose combination were within the acceptance range for bioequivalence of 80 - 125%. When comparing AUC(0-tlast) and Cmax of nifedipine and candesartan after dosing with the loose combination vs. each drug alone, the 90% CIs remained within the range of 80 - 125% indicating the absence of a clinically relevant pharmacokinetic drug-drug interaction. Nifedipine and candesartan as well as the combinations were well tolerated. The FDC containing 60 mg nifedipine and 32 mg candesartan was bioequivalent to the corresponding loose combination following single oral doses under fasting conditions. No clinically relevant pharmacokinetic drug-drug interaction between nifedipine and candesartan was observed.

  7. Experimental Investigations of the Energy and Environmental Indices of Operation of a Low-Capacity Combined Gas Producer and Hot-Water Boiler

    NASA Astrophysics Data System (ADS)

    Bodnar, L. A.; Stepanov, D. V.; Dovgal‧, A. N.

    2015-07-01

    It has been shown that the introduction of combined gas producers and boilers on renewable energy sources is a pressing issue. A structural diagram of a low-capacity combined gas producer and boiler on renewable energy sources has been given; a bench and procedures for investigation and processing of results have been developed. Experimental investigations of the energy and environmental indices of a 40-kW combined gas producer and hotwater boiler burning wood have been carried out. Results of the experimental investigations have been analyzed. Distinctive features have been established and a procedure of thermal calculation of the double furnace of a lowcapacity combined gas producer and boiler burning solid fuel has been proposed. The calculated coefficients of heat transfer from the gases in the convection bank have been compared with the obtained experimental results. A calculation dependence for the heat transfer from the gases in convection banks of low-capacity hot-water boilers has been proposed. The quantities of harmful emissions from the combined gas producer and boiler on renewable energy sources have been compared with the existing Ukrainian and foreign standards. It has been established that the environmental efficiency of the boiler under study complies with most of the standard requirements of European countries.

  8. Investigation of the interface in silica-encapsulated liposomes by combining solid state NMR and first principles calculations.

    PubMed

    Folliet, Nicolas; Roiland, Claire; Bégu, Sylvie; Aubert, Anne; Mineva, Tzonka; Goursot, Annick; Selvaraj, Kaliaperumal; Duma, Luminita; Tielens, Frederik; Mauri, Francesco; Laurent, Guillaume; Bonhomme, Christian; Gervais, Christel; Babonneau, Florence; Azaïs, Thierry

    2011-10-26

    In the context of nanomedicine, liposils (liposomes and silica) have a strong potential for drug storage and release schemes: such materials combine the intrinsic properties of liposome (encapsulation) and silica (increased rigidity, protective coating, pH degradability). In this work, an original approach combining solid state NMR, molecular dynamics, first principles geometry optimization, and NMR parameters calculation allows the building of a precise representation of the organic/inorganic interface in liposils. {(1)H-(29)Si}(1)H and {(1)H-(31)P}(1)H Double Cross-Polarization (CP) MAS NMR experiments were implemented in order to explore the proton chemical environments around the silica and the phospholipids, respectively. Using VASP (Vienna Ab Initio Simulation Package), DFT calculations including molecular dynamics, and geometry optimization lead to the determination of energetically favorable configurations of a DPPC (dipalmitoylphosphatidylcholine) headgroup adsorbed onto a hydroxylated silica surface that corresponds to a realistic model of an amorphous silica slab. These data combined with first principles NMR parameters calculations by GIPAW (Gauge Included Projected Augmented Wave) show that the phosphate moieties are not directly interacting with silanols. The stabilization of the interface is achieved through the presence of water molecules located in-between the head groups of the phospholipids and the silica surface forming an interfacial H-bonded water layer. A detailed study of the (31)P chemical shift anisotropy (CSA) parameters allows us to interpret the local dynamics of DPPC in liposils. Finally, the VASP/solid state NMR/GIPAW combined approach can be extended to a large variety of organic-inorganic hybrid interfaces.

  9. A Combination of Hand-Held Models and Computer Imaging Programs Helps Students Answer Oral Questions about Molecular Structure and Function: A Controlled Investigation of Student Learning

    ERIC Educational Resources Information Center

    Harris, Michelle A.; Peck, Ronald F.; Colton, Shannon; Morris, Jennifer; Neto, Elias Chaibub; Kallio, Julie

    2009-01-01

    We conducted a controlled investigation to examine whether a combination of computer imagery and tactile tools helps introductory cell biology laboratory undergraduate students better learn about protein structure/function relationships as compared with computer imagery alone. In all five laboratory sections, students used the molecular imaging…

  10. Investigation of groundwater flow paths through combined inversion of strontium isotope ratios and hydraulic head data. Final report

    SciTech Connect

    Thomas M. Johnson

    1999-12-04

    Strontium (Sr) isotope and other geochemical data were collected for groundwater samples from the Snake River Plain aquifer in the vicinity of the Idaho National Engineering and Environmental Laboratory (INEEL). These geochemical data provide strong evidence for slow and fast groundwater flow zones that had not been previously characterized. The geochemical data were combined with existing hydraulic head data in groundwater flow and transport models. These models enable quantitative extraction of flow information from the data (i.e., inversion of the data). This new approach and the implications for INEEL environmental activities will be reported in two journal articles. One submitted recently and a second in preparation.

  11. To see or not to see: investigating detectability of Ganges River dolphins using a combined visual-acoustic survey.

    PubMed

    Richman, Nadia I; Gibbons, James M; Turvey, Samuel T; Akamatsu, Tomonari; Ahmed, Benazir; Mahabub, Emile; Smith, Brian D; Jones, Julia P G

    2014-01-01

    Detection of animals during visual surveys is rarely perfect or constant, and failure to account for imperfect detectability affects the accuracy of abundance estimates. Freshwater cetaceans are among the most threatened group of mammals, and visual surveys are a commonly employed method for estimating population size despite concerns over imperfect and unquantified detectability. We used a combined visual-acoustic survey to estimate detectability of Ganges River dolphins (Platanista gangetica gangetica) in four waterways of southern Bangladesh. The combined visual-acoustic survey resulted in consistently higher detectability than a single observer-team visual survey, thereby improving power to detect trends. Visual detectability was particularly low for dolphins close to meanders where these habitat features temporarily block the view of the preceding river surface. This systematic bias in detectability during visual-only surveys may lead researchers to underestimate the importance of heavily meandering river reaches. Although the benefits of acoustic surveys are increasingly recognised for marine cetaceans, they have not been widely used for monitoring abundance of freshwater cetaceans due to perceived costs and technical skill requirements. We show that acoustic surveys are in fact a relatively cost-effective approach for surveying freshwater cetaceans, once it is acknowledged that methods that do not account for imperfect detectability are of limited value for monitoring.

  12. Investigation of height combination schemes for sea surface topography determination in the presence of satellite gravimetry data

    NASA Astrophysics Data System (ADS)

    Vergos, G. S.; Tziavos, I. N.

    2009-04-01

    With the advent of the recent and forthcoming gravity-field dedicated satellite missions the determination of the quasi-stationary part of the sea surface topography (QSST) has gained significant importance for both geodetic and oceanographic applications. The improved accuracy in geoid determination envisaged by these new missions allows for a more rigorous estimation of the QSST and its separation from altimetric observations towards marine geoid and ocean circulation determination. In geodetic applications, the QSST is needed to reduce altimetric observations from the sea surface to the geoid, while in oceanographic research it is used to derive the velocities of geostrophic currents. Optimal height combination employing all available input data with proper variance covariance propagation can lead in an improved estimation of both geoid heights and the QSST. This work focuses on the presentation of a detailed least squares collocation combination scheme for QSST determination, based on available satellite altimetry sea surface heights, shipborne free-air gravity anomalies, GPS ellipsoidal heights, and GOCE-type observables of the potential and its second order derivatives. Analytic equations for the input and output signals auto- and cross-covariance functions are derived while the necessary theoretical background for variance component estimation is outlined as well. Finally, the equations for the output signal estimation are given in detail along with a possible extension of the method to time-dependent oceanographic signals like the time-varying sea surface topography.

  13. To See or Not to See: Investigating Detectability of Ganges River Dolphins Using a Combined Visual-Acoustic Survey

    PubMed Central

    Richman, Nadia I.; Gibbons, James M.; Turvey, Samuel T.; Akamatsu, Tomonari; Ahmed, Benazir; Mahabub, Emile; Smith, Brian D.; Jones, Julia P. G.

    2014-01-01

    Detection of animals during visual surveys is rarely perfect or constant, and failure to account for imperfect detectability affects the accuracy of abundance estimates. Freshwater cetaceans are among the most threatened group of mammals, and visual surveys are a commonly employed method for estimating population size despite concerns over imperfect and unquantified detectability. We used a combined visual-acoustic survey to estimate detectability of Ganges River dolphins (Platanista gangetica gangetica) in four waterways of southern Bangladesh. The combined visual-acoustic survey resulted in consistently higher detectability than a single observer-team visual survey, thereby improving power to detect trends. Visual detectability was particularly low for dolphins close to meanders where these habitat features temporarily block the view of the preceding river surface. This systematic bias in detectability during visual-only surveys may lead researchers to underestimate the importance of heavily meandering river reaches. Although the benefits of acoustic surveys are increasingly recognised for marine cetaceans, they have not been widely used for monitoring abundance of freshwater cetaceans due to perceived costs and technical skill requirements. We show that acoustic surveys are in fact a relatively cost-effective approach for surveying freshwater cetaceans, once it is acknowledged that methods that do not account for imperfect detectability are of limited value for monitoring. PMID:24805782

  14. An Investigation of Nonverbal Cue Combinations and the Validity of Aggregation Measurement Techniques in a Spontaneous Persuasive Interaction.

    ERIC Educational Resources Information Center

    Buller, David B.

    A study was conducted to examine the presence and composition of nonverbal cues exhibited in a spontaneous dyadic interaction and to investigate the assumption that cue variation is inconsequential to the effect of nonverbal behavior implicit in methods that aggregate cue incidence across interactions. Subjects, 110 college undergraduates, worked…

  15. The Fixed-Links Model in Combination with the Polynomial Function as a Tool for Investigating Choice Reaction Time Data

    ERIC Educational Resources Information Center

    Schweizer, Karl

    2006-01-01

    A model with fixed relations between manifest and latent variables is presented for investigating choice reaction time data. The numbers for fixation originate from the polynomial function. Two options are considered: the component-based (1 latent variable for each component of the polynomial function) and composite-based options (1 latent…

  16. Investigation of aged Asian dust particles by the combined use of quantitative ED-EPMA and ATR-FTIR imaging

    NASA Astrophysics Data System (ADS)

    Song, Y.-C.; Eom, H.-J.; Jung, H.-J.; Malek, M. A.; Kim, H. K.; Geng, H.; Ro, C.-U.

    2013-03-01

    In our previous works, it was demonstrated that the combined use of quantitative energy-dispersive electron probe X-ray microanalysis (ED-EPMA), which is also known as low-Z particle EPMA, and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) imaging has great potential for a detailed characterization of individual aerosol particles. In this study, extensively chemically modified (aged) individual Asian dust particles collected during an Asian dust storm event on 11 November 2002 in Korea were characterized by the combined use of low-Z particle EPMA and ATR-FTIR imaging. Overall, 109 individual particles were classified into four particle types based on their morphology, elemental concentrations, and molecular species and/or functional groups of individual particles available from the two analytical techniques: Ca-containing (38%), NaNO3-containing (30%), silicate (22%), and miscellaneous particles (10%). Among the 41 Ca-containing particles, 10, 8, and 14 particles contained nitrate, sulfate, and both, respectively, whereas only two particles contained unreacted CaCO3. Airborne amorphous calcium carbonate (ACC) particles were observed in this Asian dust sample for the first time, where their IR peaks for the insufficient symmetric environment of CO32- ions of ACC were clearly differentiated from those of crystalline CaCO3. This paper also reports the first inland field observation of CaCl2 particles probably converted from CaCO3 through the reaction with HCl(g). HCl(g) was likely released from the reaction of sea salt with NOx/HNO3, as all 33 particles of marine origin contained NaNO3 (no genuine sea salt particle was encountered). Some silicate particles with minor amounts of calcium were observed to be mixed with nitrate, sulfate, and water. Among 24 silicate particles, 10 particles are mixed with water, the presence of which could facilitate atmospheric heterogeneous reactions of silicate particles including swelling minerals, such

  17. Complementary cavity-enhanced spectrometers to investigate the OH + CH combination band in trans-formic acid.

    PubMed

    Golebiowski, D; Földes, T; Vanfleteren, T; Herman, M; Perrin, A

    2015-07-07

    We have used continuous-wave cavity ring-down and femto-Fourier transform-cavity-enhanced absorption spectrometers to record the spectrum of the OH-stretching + CH-stretching (ν1 + ν2) combination band in trans-formic acid, with origin close to 6507 cm(-1). They, respectively, allowed resolving and simplifying the rotational structure of the band near its origin under jet-cooled conditions (Trot = 10 K) and highlighting the overview of the band under room temperature conditions. The stronger B-type and weaker A-type subbands close to the band origin could be assigned, as well as the main B-type Q branches. The high-resolution analysis was hindered by numerous, severe perturbations. Rotational constants are reported with, however, limited physical meaning. The ν1 + ν2 transition moment is estimated from relative intensities to be 24° away from the principal b-axis of inertia.

  18. Electronic structure and excited state properties of iron carbene photosensitizers - A combined X-ray absorption and quantum chemical investigation

    NASA Astrophysics Data System (ADS)

    Ericson, Fredric; Honarfar, Alireza; Prakash, Om; Tatsuno, Hideyuki; Fredin, Lisa A.; Handrup, Karsten; Chabera, Pavel; Gordivska, Olga; Kjær, Kasper S.; Liu, Yizhu; Schnadt, Joachim; Wärnmark, Kenneth; Sundström, Villy; Persson, Petter; Uhlig, Jens

    2017-09-01

    The electronic structure and excited state properties of a series of iron carbene photosensitizers are elucidated through a combination of X-ray absorption measurements and density functional theory calculations. The X-ray absorption spectra are discussed with regard to the unusual bonding environment in these carbene complexes, highlighting the difference between ferrous and ferric carbene complexes. The valence electronic structure of the core excited FeIII - 3d5 complex is predicted by calculating the properties of a CoIII - 3d6 carbene complex using the Z+1 approximation. Insight is gained into the potential of sigma-donating ligands as strategy to tune properties for light harvesting applications.

  19. Wind-Tunnel Investigation of the Static Lateral Stability Characteristics of Wing-Fuselage Combinations at High Subsonic Speeds

    NASA Technical Reports Server (NTRS)

    Wiggins, James W.; Fournier, Paul G.

    1953-01-01

    A systematic research program is being carried out in the Langley high-speed 7- by 10-foot tunnel to determine the aerodynamic characteristics of various arrangements of the component parts of research-type airplane models, including some complete model configurations. Data are being obtained on characteristics in pitch, sideslip, and during steady roll at Mach numbers from 0.40 to about 0.95. This paper presents results which show the effect of taper ratio on the aerodynamic characteristics in sideslip of wing-fuselage combinations having wings with a sweep of 45 degrees at the quarter-chord line, an aspect ratio of 4, and a NACA 65A006 airfoil section.

  20. Experimental Investigation of Space Radiation Processing in Lunar Soil Ilmenite: Combining Perspectives from Surface Science and Transmission Electron Microscopy

    NASA Technical Reports Server (NTRS)

    Christoffersen, R.; Keller, L. P.; Rahman, Z.; Baragiola, R.

    2010-01-01

    Energetic ions mostly from the solar wind play a major role in lunar space weathering because they contribute structural and chemical changes to the space-exposed surfaces of lunar regolith grains. In mature mare soils, ilmenite (FeTiO3) grains in the finest size fraction have been shown in transmission electron microscope (TEM) studies to exhibit key differences in their response to space radiation processing relative to silicates [1,2,3]. In ilmenite, solar ion radiation alters host grain outer margins to produce 10-100 nm thick layers that are microstructurally complex, but dominantly crystalline compared to the amorphous radiation-processed rims on silicates [1,2,3]. Spatially well-resolved analytical TEM measurements also show nm-scale compositional and chemical state changes in these layers [1,3]. These include shifts in Fe/Ti ratio from strong surface Fe-enrichment (Fe/Ti >> 1), to Fe depletion (Fe/Ti < 1) at 40-50 nm below the grain surface [1,3]. These compositional changes are not observed in the radiation-processed rims on silicates [4]. Several mechanism(s) to explain the overall relations in the ilmenite grain rims by radiation processing and/or additional space weathering processes were proposed by [1], and remain under current consideration [3]. A key issue has concerned the ability of ion radiation processing alone to produce some of the deeper- penetrating compositional changes. In order to provide some experimental constraints on these questions, we have performed a combined X-ray photoelectron spectroscopy (XPS) and field-emission scanning transmission electron (FE-STEM) study of experimentally ion-irradiated ilmenite. A key feature of this work is the combination of analytical techniques sensitive to changes in the irradiated samples at depth scales going from the immediate surface (approx.5 nm; XPS), to deeper in the grain interior (5-100 nm; FE-STEM).

  1. Investigating the Differential Emission Measure and Energetics of Microflares with Combined SDO/AIA and RHESSI Observations

    NASA Technical Reports Server (NTRS)

    Inglis, A. R.; Christe, S.

    2014-01-01

    An important question in solar physics is whether solar microflares, the smallest currently observable flare events in X-rays, possess the same energetic properties as large flares. Recent surveys have suggested that microflares may be less efficient particle accelerators than large flares, and hence contribute less non-thermal energy, which may have implications for coronal heating mechanisms. We therefore explore the energetic properties of microflares by combining EUV and X-ray measurements. We present forward-fitting differential emission measure (DEM) analysis of 10 microflares. The fitting is constrained by combining, for the first time, high-temperature Reuven Ramaty High Energy Solar Spectroscopic Imager (RHESSI) observations and flux data from the Solar Dynamics Observatory (SDO) Atmospheric Imaging Assembly (AIA). Two fitting models are tested for the DEM; a Gaussian distribution and a uniform DEM profile. A Gaussian fit proved unable to explain the observations for any of the studied microflares. However, 8 of 10 events studied were reasonably fit by a uniform DEM profile. Hence microflare plasma can be considered to be significantly multi-thermal, and may not be significantly peaked or contain resolvable fine structure, within the uncertainties of the observational instruments. The thermal and non-thermal energy is estimated for each microflare, comparing the energy budget with an isothermal plasma assumption. From the multi-thermal fits the minimum non-thermal energy content was found to average approximately 30% of the estimated thermal energy. By comparison, under an isothermal model the non-thermal and thermal energy estimates were generally comparable. Hence, multi-thermal plasma is an important consideration for solar microflares that substantially alters their thermal and non-thermal energy content.

  2. Investigating the differential emission measure and energetics of microflares with combined SDO/AIA and RHESSI observations

    SciTech Connect

    Inglis, A. R.; Christe, S.

    2014-07-10

    An important question in solar physics is whether solar microflares, the smallest currently observable flare events in X-rays, possess the same energetic properties as large flares. Recent surveys have suggested that microflares may be less efficient particle accelerators than large flares, and hence contribute less non-thermal energy, which may have implications for coronal heating mechanisms. We therefore explore the energetic properties of microflares by combining EUV and X-ray measurements. We present forward-fitting differential emission measure (DEM) analysis of 10 microflares. The fitting is constrained by combining, for the first time, high-temperature Reuven Ramaty High Energy Solar Spectroscopic Imager (RHESSI) observations and flux data from the Solar Dynamics Observatory (SDO) Atmospheric Imaging Assembly (AIA). Two fitting models are tested for the DEM; a Gaussian distribution and a uniform DEM profile. A Gaussian fit proved unable to explain the observations for any of the studied microflares. However, 8 of 10 events studied were reasonably fit by a uniform DEM profile. Hence microflare plasma can be considered to be significantly multi-thermal, and may not be significantly peaked or contain resolvable fine structure, within the uncertainties of the observational instruments. The thermal and non-thermal energy is estimated for each microflare, comparing the energy budget with an isothermal plasma assumption. From the multi-thermal fits the minimum non-thermal energy content was found to average approximately 30% of the estimated thermal energy. By comparison, under an isothermal model the non-thermal and thermal energy estimates were generally comparable. Hence, multi-thermal plasma is an important consideration for solar microflares that substantially alters their thermal and non-thermal energy content.

  3. All optical method for investigation of spin and charge transport in semiconductors: Combination of spatially and time-resolved luminescence

    SciTech Connect

    Cadiz, F.; Paget, D.; Grebenkov, D.; Korb, J. P.; Rowe, A. C. H.; Barate, P.; Amand, T.; Arscott, S.; Peytavit, E.

    2014-07-14

    A new approach is demonstrated for investigating charge and spin diffusion as well as surface and bulk recombination in unpassivated doped semiconductors. This approach consists in using two complementary, conceptually related, techniques, which are time-resolved photoluminescence (TRPL) and spatially resolved microluminescence (μPL) and is applied here to p{sup +} GaAs. Analysis of the sole TRPL signal is limited by the finite risetime. On the other hand, it is shown that joint TRPL and μPL can be used to determine the diffusion constant, the bulk recombination time, and the spin relaxation time. As an illustration, the temperature variation of these quantities is investigated for p{sup +} GaAs.

  4. The Impact of Anxiety-Inducing Distraction on Cognitive Performance: A Combined Brain Imaging and Personality Investigation

    PubMed Central

    Denkova, Ekaterina; Wong, Gloria; Dolcos, Sanda; Sung, Keen; Wang, Lihong; Coupland, Nicholas; Dolcos, Florin

    2010-01-01

    Background Previous investigations revealed that the impact of task-irrelevant emotional distraction on ongoing goal-oriented cognitive processing is linked to opposite patterns of activation in emotional and perceptual vs. cognitive control/executive brain regions. However, little is known about the role of individual variations in these responses. The present study investigated the effect of trait anxiety on the neural responses mediating the impact of transient anxiety-inducing task-irrelevant distraction on cognitive performance, and on the neural correlates of coping with such distraction. We investigated whether activity in the brain regions sensitive to emotional distraction would show dissociable patterns of co-variation with measures indexing individual variations in trait anxiety and cognitive performance. Methodology/Principal Findings Event-related fMRI data, recorded while healthy female participants performed a delayed-response working memory (WM) task with distraction, were investigated in conjunction with behavioural measures that assessed individual variations in both trait anxiety and WM performance. Consistent with increased sensitivity to emotional cues in high anxiety, specific perceptual areas (fusiform gyrus - FG) exhibited increased activity that was positively correlated with trait anxiety and negatively correlated with WM performance, whereas specific executive regions (right lateral prefrontal cortex - PFC) exhibited decreased activity that was negatively correlated with trait anxiety. The study also identified a role of the medial and left lateral PFC in coping with distraction, as opposed to reflecting a detrimental impact of emotional distraction. Conclusions These findings provide initial evidence concerning the neural mechanisms sensitive to individual variations in trait anxiety and WM performance, which dissociate the detrimental impact of emotion distraction and the engagement of mechanisms to cope with distracting emotions. Our

  5. Combined scanning electron microscopy and image analysis to investigate airborne submicron particles: a comparison between personal samplers.

    PubMed

    Zamengo, L; Barbiero, N; Gregio, M; Orrù, G

    2009-07-01

    The main objectives of this study were: (i) to compare commonly used personal samplers and verify their collection efficiency with regards to submicron particles; (ii) to investigate how the submicron particles deposit onto the filter surface in order to assess the homogeneity of the deposition; (iii) to estimate the biases which could affect results when number concentration values have to be determined by particle counting. A method based on image analysis (IA) and scanning electron microscopy (SEM) is developed and adopted to investigate a large numbers of particles. Four different personal samplers were tested: the IOM sampler, the Button sampler and the German GSP for the inhalable aerosol fraction; the PEM sampler for the thoracic aerosol fraction. In order to investigate how particles distribute on the filters surface, the area of each filter was virtually divided into circular concentric areas or deposition zones (DZ). Results from different DZ of the same filter were compared. Uniformity of deposition was mostly observed for three of the four tested samplers. A significant radial distribution was observed only for the GSP sampler. The major homogeneity was found for the Button sampler. In order to estimate the relative collection efficiency between samplers, particles number concentrations determined by particle counting were compared. The GSP sampler provided the greatest concentrations but also the greatest variability. The PEM sampler provided the lowest concentrations. The homogeneity of particle deposition on the filter surface mostly affected results when counting is performed on localized areas of the filter.

  6. Diagnostic value of the clinical investigation in acute meniscal tears combined with anterior cruciate ligament injury using arthroscopic findings as golden standard.

    PubMed

    Speziali, A; Placella, G; Tei, M M; Georgoulis, A; Cerulli, G

    2016-04-01

    The main purpose of our study was to evaluate the accuracy of clinical investigation for meniscal tears associated with ACL injuries. We hypothesized that combined ACL injury can decrease the accuracy of clinical examination in acute onset. One hundred and thirty-seven patients with a mean age of 28.5 years (from 12 to 55) were prospectively examined for acute combined ACL and meniscal injuries, between March and November 2012 at our department. For meniscal tears, clinical examination was performed using McMurray test, Apley test and medial and lateral joint line tenderness. The diagnoses of ACL tear were made using Lachman test, jerk test and pivot-shift test, anterior drawer test and KT-2000 side-to-side difference. Each patient was examined using X-ray and MRI. All the patients underwent arthroscopic surgery performed by the same surgeon within 6 weeks after the injury. Finally, using the arthroscopic findings as gold standard, the sensitivity, specificity, accuracy, positive predictive value and negative predictive value of clinical investigation and MRI were evaluated. The specificity of clinical investigation was 63.5 and 46.0 % and the sensitivity was 74.4 and 77.3 % for the medial meniscus and the lateral meniscus, respectively. Overall, the accuracy of the clinical investigation was 70.3 % for the MM and 65.5 % for the lateral meniscus. The accuracy of MRI investigation was 76.4 and 69.5 % for medial and lateral meniscus, respectively. In combined acute ACL injury and meniscal tears, we have found a decreased accuracy of the clinical investigation. The remnants of the torn ACL and the synovitis increased the rate of false positives, and it could simulate meniscal tears. However, clinical investigation can provide sufficient information for the treatment decision and MRI can be avoided as a routine diagnostic tool. Level II, prospective study.

  7. Structural and spectroscopic investigation on antioxidant dipeptide, L-Methionyl-L-Serine: A combined experimental and DFT study

    NASA Astrophysics Data System (ADS)

    Kecel-Gunduz, Serda; Bicak, Bilge; Celik, Sefa; Akyuz, Sevim; Ozel, Aysen E.

    2017-06-01

    The focus of this study is to determine the conformational, structural and vibrational properties of Methionyl-Serine dipeptide (L-Methionyl-L-Serine, Met-Ser), a biological active molecule. To investigate their energetically preferred conformations, molecular mechanics methods were utilized to determine the optimal conformations of the 3402 different dihedral angle values of the backbone and side chains. It was found that the extended (e) backbone shape in the LB conformational range was the most stable L-Methionyl-L-Serine dipeptide conformation, with 3.12 kcal/mol of energy. Density Functional Theory (DFT) was used to determine the optimized geometry, the vibrational wavenumbers and modes of the title dipeptide values, with 6-31G (d,p) and 6-311++G (d,p) basis sets. The potential energy distribution data was used to carry out the assignment of the bands. In addition, the vibrational spectra of the most stable conformer and its dimer form were determined and the obtained results were compared with the experimental IR and Raman spectra in the solid phase. To determine the presence of intramolecular charge transfer, molecular dipole moment, polarizability and hyperpolarizability, the Natural Bond Orbital (NBO), HOMO-LUMO calculations, the linear polarizability (α) and the first order hyperpolarizability (β0) value analyses of the investigated molecule were carried out using the DFT with the B3LYP/6-31++G(d,p) basis set. This study aims to determine a relatively stable conformation of antioxidant dipeptide and to investigate the molecular geometry, molecular vibrations and hydrogen bonding interactions between monomeric and dimeric forms of Methiony-Serine dipeptide.

  8. Investigation of the spectroscopy properties of deformed nuclei by combining the X(3) and E(5) models

    NASA Astrophysics Data System (ADS)

    Alimohammadi, M.; Hassanabadi, H.

    2017-06-01

    In this paper, we present a model which is composed of two parts related to the special critical points, E(5) (the phase transition between spherical oscillator and γ -soft) and X(3) (a γ -rigid version of X(5) . This model is studied to investigate the interplay situations by the free parameter χ . These situations are cited between the γ -unstable and γ -rigid version of the Bohr Hamiltonian. The corresponding wave equation has been considered and the eigenvalues as well as eigenfunctions have been determined by solving this equation. Moreover, we have calculated the energy spectra and transition rates in order to compare our results with experimental data.

  9. Investigation of analytical performance for rapidly synergistic cloud point extraction of trace amounts of copper combined with spectrophotometric determination.

    PubMed

    Wen, Xiaodong; Ye, Liqing; Deng, Qingwen; Peng, Li

    2011-12-01

    In this work, an improved preconcentration method named as rapidly synergistic cloud point extraction (RS-CPE) was established for copper preconcentration and determination. Non-ionic surfactant Triton X-100 (TX-100) was used as extractant. Octanol worked as cloud point revulsant and synergic reagent, which successfully decreased the cloud point temperature (CPT) of TX-100 to realize the room temperature (about 20°C) CPE without heating. The established RS-CPE pretreatment was simple, rapid and effective. Compared with traditional CPE (about 40 min for heating, incubation and cooling), the extraction time of the proposed method was very short (1 min). The improved extraction technique RS-CPE was combined with traditional spectrophotometer to improve the analytical performance and expand the application of spectrophotometric determination. The influence factors relevant to RS-CPE, such as concentrations of TX-100 and octanol, concentration of chelating agent, pH, conditions of phase separation, salt effect, environmental temperature and instrumental conditions, were studied in detail. Under the optimal conditions, the limit of detection (LOD) for copper was 0.4 μg L(-1), with sensitivity enhancement factor (EF) of 18. The proposed method was applied to the determination of trace copper in real samples and certified samples with satisfactory analytical results. Copyright © 2011 Elsevier B.V. All rights reserved.

  10. Investigation of the dynamics of growth of polymer materials obtained by combined pervaporation and micro-moulding.

    PubMed

    Laval, Cédric; Poulin, Philippe; Salmon, Jean-Baptiste

    2016-02-14

    We report an extensive study of the concentration process of aqueous polymer solutions confined within microfluidic channels, owing to the pervaporation of water through the matrix of the chip. Concentration of polymer continuously increases up to the formation of a dense material which eventually invades the channel. This technology can be used to fabricate micro-composites of different shapes starting from dilute inks. We use both theory and screening experiments to show that the dynamics of growth can be predicted by simple conservation equations. More precisely, we establish a quantitative prediction of the growth dynamics taking into account deformations of the soft channels of the moulds, and the solvent chemical activity of the polymer solution. The present results based on general transport equations for binary mixtures provide direct guidance for the design of micro-fabricated materials considering their shape, dimensions, time scale of fabrication, and chemical composition. This quantitative framework is indeed essential to engineer integrated polymer-based micro-devices by using combined pervaporation and microfluidic moulding.

  11. Investigations on new carbon-based nanohybrids combining carbon nanotubes, HfO2 and ZnO nanoparticles

    NASA Astrophysics Data System (ADS)

    Rauwel, P.; Galeckas, A.; Salumaa, M.; Aasna, A.; Ducroquet, F.; Rauwel, E.

    2017-02-01

    In this work, we present two types of hybrid materials. The first hybrid material is a combination of carbon nanotubes (CNT) with HfO2 nanoparticles. The latter constituent on its own exhibits unusual visible photoluminescence, which is in stark contrast to non-luminescent HfO2 in the bulk form. The small size of HfO2 nanoparticles, 2.6 nm in average, suggests surface-defect related origin of the observed photoluminescence. The other hybrid material is CNT-ZnO with the embedded ZnO nanoparticles ranging from 50nm to 100nm in size. ZnO represents a direct bandgap semiconductor renowned as highly-luminescent in a broad spectral range. The visible region is attributed to luminescence involving deep-level defects, and hence depends on the synthesis conditions. In this study we compare the morphology of the two hybrid materials with transmission electron microscopy. We further compare the photoluminescence properties and the influence of the CNT coupling on enhancing or suppressing defect related emissions. Finally, we present a novel hybrid material CNT-HfO2 capable of producing a photocurrent under zero bias.

  12. A new combined nuclear magnetic resonance and Raman spectroscopic probe applied to in situ investigations of catalysts and catalytic processes

    SciTech Connect

    Camp, Jules C. J.; Mantle, Michael D.; York, Andrew P. E.; McGregor, James

    2014-06-15

    Both Raman and nuclear magnetic resonance (NMR) spectroscopies are valuable analytical techniques capable of providing mechanistic information and thereby providing insights into chemical processes, including catalytic reactions. Since both techniques are chemically sensitive, they yield not only structural information but also quantitative analysis. In this work, for the first time, the combination of the two techniques in a single experimental apparatus is reported. This entailed the design of a new experimental probe capable of recording simultaneous measurements on the same sample and/or system of interest. The individual datasets acquired by each spectroscopic method are compared to their unmodified, stand-alone equivalents on a single sample as a means to benchmark this novel piece of equipment. The application towards monitoring reaction progress is demonstrated through the evolution of the homogeneous catalysed metathesis of 1‑hexene, with both experimental techniques able to detect reactant consumption and product evolution. This is extended by inclusion of magic angle spinning (MAS) NMR capabilities with a custom made MAS 7 mm rotor capable of spinning speeds up to 1600 Hz, quantified by analysis of the spinning sidebands of a sample of KBr. The value of this is demonstrated through an application involving heterogeneous catalysis, namely the metathesis of 2-pentene and ethene. This provides the added benefit of being able to monitor both the reaction progress (by NMR spectroscopy) and also the structure of the catalyst (by Raman spectroscopy) on the very same sample, facilitating the development of structure-performance relationships.

  13. A new combined nuclear magnetic resonance and Raman spectroscopic probe applied to in situ investigations of catalysts and catalytic processes

    NASA Astrophysics Data System (ADS)

    Camp, Jules C. J.; Mantle, Michael D.; York, Andrew P. E.; McGregor, James

    2014-06-01

    Both Raman and nuclear magnetic resonance (NMR) spectroscopies are valuable analytical techniques capable of providing mechanistic information and thereby providing insights into chemical processes, including catalytic reactions. Since both techniques are chemically sensitive, they yield not only structural information but also quantitative analysis. In this work, for the first time, the combination of the two techniques in a single experimental apparatus is reported. This entailed the design of a new experimental probe capable of recording simultaneous measurements on the same sample and/or system of interest. The individual datasets acquired by each spectroscopic method are compared to their unmodified, stand-alone equivalents on a single sample as a means to benchmark this novel piece of equipment. The application towards monitoring reaction progress is demonstrated through the evolution of the homogeneous catalysed metathesis of 1-hexene, with both experimental techniques able to detect reactant consumption and product evolution. This is extended by inclusion of magic angle spinning (MAS) NMR capabilities with a custom made MAS 7 mm rotor capable of spinning speeds up to 1600 Hz, quantified by analysis of the spinning sidebands of a sample of KBr. The value of this is demonstrated through an application involving heterogeneous catalysis, namely the metathesis of 2-pentene and ethene. This provides the added benefit of being able to monitor both the reaction progress (by NMR spectroscopy) and also the structure of the catalyst (by Raman spectroscopy) on the very same sample, facilitating the development of structure-performance relationships.

  14. Combined analysis of 2-D electrical resistivity, seismic refraction and geotechnical investigations for Bukit Bunuh complex crater

    NASA Astrophysics Data System (ADS)

    Azwin, I. N.; Saad, Rosli; Saidin, Mokhtar; Nordiana, M. M.; Anderson Bery, Andy; Hidayah, I. N. E.

    2015-01-01

    Interest in studying impact crater on earth has increased tremendously due to its importance in geologic events, earth inhabitant history as well as economic value. The existences of few shock metamorphism and crater morphology evidences are discovered in Bukit Bunuh, Malaysia thus detailed studies are performed using geophysical and geotechnical methods to verify the type of the crater and characteristics accordingly. This paper presents the combined analysis of 2-D electrical resistivity, seismic refraction, geotechnical SPT N value, moisture content and RQD within the study area. Three stages of data acquisition are made starting with regional study followed by detailed study on West side and East side. Bulk resistivity and p-wave seismic velocity were digitized from 2-D resistivity and seismic sections at specific distance and depth for corresponding boreholes and samples taken. Generally, Bukit Bunuh shows the complex crater characteristics. Standard table of bulk resistivity and p-wave seismic velocity against SPT N value, moisture content and RQD are produce according to geological classifications of impact crater; inside crater, rim/slumped terrace and outside crater.

  15. Immunotoxicological investigation of subacute combined exposure by permethrin and the heavy metals arsenic(III) and mercury(II) in rats.

    PubMed

    Institóris, L; Siroki, O; Undeger, U; Basaran, N; Dési, I

    2001-05-01

    Effects of combined 28 days of oral exposure to the insecticide Permethrin (Pe), alone or in combination with arsenic-III (As) or Hg-II (Hg), were investigated on certain toxicological (body weight, organ weights), haematological (white blood cell (WBC) and red blood cell (RBC) counts, haematocrit (Ht), mean cell volume (MCV), cell content of the femoral bone marrow) and immune function (IgM-PFC, delayed-type hypersensitivity (DTH) reaction) parameters of male Wistar rats. Immunotoxic (H = high) and NOEL (L = low) doses of the three substances were determined in preliminary experiments under identical experimental conditions. In the present study, the immunotoxic dose of Pe (126 mg/kg) was combined with the NOEL dose of As (3.33 mg/kg) or Hg (0.40 mg/kg), and the NOEL dose of Pe (12.6 mg/kg) with the immunotoxic dose of As (13.3 mg/kg) or Hg (3.20 mg/kg). A separate group of animals, treated with the appropriate high dose component only, was used as internal control. Significant interactions were observed in the liver weight of the animals treated with Pe(H)-As(L) or As(H)-Pe(L), in the cell content of the femoral bone marrow in case of Pe(H)-As(L) and Pe(H)-Hg(L) combinations, as well as in the number of PFCs formed from 10(6) spleen cells in the Pe(H)-As(L) and in the maximum of DTH reaction in the Hg(H)-Pe(L) combination. The results show that combined exposures by the investigated substances modify the toxic (including immunotoxic) effects of the single compounds. These findings rise the probability that the interactions observed can also be present in human situations altering the health hazard of this three chemicals.

  16. Combining remotely sensed data and numerical modeling to investigate the impacts of vegetation on barrier island erosion

    NASA Astrophysics Data System (ADS)

    Long, J.; Thompson, D.; Dalyander, S.

    2016-02-01

    The use of high-fidelity numerical models for storm-induced beach and dune erosion is becoming more commonplace. These models explicitly compute wave transformation, currents, and sediment transport fairly accurately in the nearshore, but do not fully account for some physical controls, such as vegetation, that alter erosion processes during large storm events when barrier islands are overwashed or inundated. Methods that exist to account for the impact of vegetation on dune and island evolution have not been adequately tested, in part due to a lack of observations of spatially and temporally varying subaerial barrier island vegetation coverage. Here we use a new dataset that defines regions of vegetation density derived from satellite images with good spatial and temporal resolution to investigate 1) methods for incorporating this data into numerical models, and 2) the influence of vegetation patterns on topographic evolution during storms. We use pre- and post-storm topographic surveys from multiple storms over the last decade to investigate the sensitivity of the model results to the incorporation of vegetation presence and density. We focus on Dauphin Island, a 26 km long barrier island off the coast of Alabama in the Northern Gulf of Mexico. The island has been devastated by multiple tropical storms and offers an interesting contrast between a developed, highly vegetated island on the eastern end and an unmodified, low-lying western end absent of dense vegetation.

  17. A retrospective study of ultrasound and FNA cytology investigation of thyroid nodules: working towards combined risk stratification.

    PubMed

    Liu, Zi Wei; Fox, Richard; Unadkat, Samit; Farrell, Roy

    2017-03-10

    The British Thyroid Association recommended in new guidelines on thyroid cancer treatment [Kwak et al. (Korean J Radiol 14:110-117, 2013)] that ultrasound grading of thyroid nodules should be incorporated into MDT management. A retrospective study was carried out to determine that the impact of US grading has had on MDT decision making in practice. The design used in the study is a retrospective review of case notes. The study was carried out in the hub hospital for thyroid cancer in the North west London Cancer network. We included consecutive patients referred to the regional thyroid multidisciplinary meeting between August 2014 and May 2015 for investigation of thyroid nodules. Data were collected on patient demographics, co-morbidity, thy grading, ultrasound grading, surgery, post-operative histology, and radioactive iodine treatment details. Accuracy of cytology and ultrasound in diagnosing malignancy was correlated to definitive histology. 99 patients with thyroid nodules were included in the study. 97% of patients had at least one fine needle aspiration and 75% had ultrasound grading. Thy3f (Bethesda IV) nodules were more likely to be carcinoma if associated with a U4 grade rather than U3 (67 vs 18%, p = 0.028). Ultrasound grading has recently been introduced to the standard practice in investigation of thyroid nodules. Further assessment of the accuracy of ultrasound grading in clinical practice may allow us to risk-stratify thy3a/thy3f (Bethesda III/IV) lesions and personalise treatment.

  18. A Combined Lagrangian-Thin Film Model for Investigating Film to Rivulet Transition on Surfaces with Various Wettabilities

    NASA Astrophysics Data System (ADS)

    Tembely, Moussa; Dizon, Ian; Dolatabadi, Ali

    2015-11-01

    Understanding rivulet formation which arises from cloud droplets impact is of interest for the aerospace industry, where in icing conditions rivulets and droplets run back along the aerodynamics surfaces. In the present work, a numerical model based on a coupling between a Lagrangian method for spray generation and thin film approach is used to investigate the rivulet formation on various surfaces. The thin-film approximation which results from the simplification of the Navier-Stokes equations accounts for the surface wettability through a contact line force model which enables to describe film-to-rivulet transition and film separation. After validating the thin film model with a Nusselt solution of a steady state laminar flow over a vertical plate, the transition from spray to rivulet is simulated on a cylinder with 3 wettabilities: hydrophilic, hydrophobic and superhydrophobic. The spray impingement on the cylinder is carried out in 2 configurations (i) vertical where a gravity-driven rivulet is formed on the cylinder side, and (ii) horizontal where the spray impacts on the cylinder under the effect of airflow. In addition to the simulations, these two configurations are investigated experimentally using a high speed camera and a small scale icing wind tunnel

  19. How to investigate neuro-biochemical relationships on a regional level in humans? Methodological considerations for combining functional with biochemical imaging.

    PubMed

    Duncan, Niall W; Wiebking, Christine; Muñoz-Torres, Zeidy; Northoff, Georg

    2014-01-15

    There is an increasing interest in combining different imaging modalities to investigate the relationship between neural and biochemical activity. More specifically, imaging techniques like MRS and PET that allow for biochemical measurement are combined with techniques like fMRI and EEG that measure neural activity in different states. Such combination of neural and biochemical measures raises not only technical issues, such as merging the different data sets, but also several methodological issues. These methodological issues – ranging from hypothesis generation and hypothesis-guided use of technical facilities to target measures and experimental measures – are the focus of this paper. We discuss the various methodological problems and issues raised by the combination of different imaging methodologies in order to investigate neuro-biochemical relationships on a regional level in humans. For example, the choice of transmitter and scan type is discussed, along with approaches to allow the establishment of particular specificities (such as regional or biochemical) to in turn make results fully interpretable. An algorithm that can be used as a form of checklist for designing such multimodal studies is presented. The paper concludes that while several methodological and technical caveats needs to be overcome and addressed, multimodal imaging of the neuro-biochemical relationship provides an important tool to better understand the physiological mechanisms of the human brain.

  20. Hydrological investigation of a multi-stratified pit lake using radioactive and stable isotopes combined with hydrometric monitoring

    NASA Astrophysics Data System (ADS)

    Sánchez-España, Javier; Diez Ercilla, Marta; Pérez Cerdán, Fernando; Yusta, Iñaki; Boyce, Adrian J.

    2014-04-01

    The internal configuration and hydrological dynamics of meromictic pit lakes is often complex and needs to be studied by different tools including stable and radiogenic isotopes. This study combines a multi-isotopic approach (3Hw, δ2Hw, δ18Ow, δ34SSO4) with meteorological, hydrological and hydrochemical monitoring to deduce the flooding history and hydrological dynamics of a meromictic and deeply stratified pit lake (Cueva de la Mora mine, SW Spain). The mine system is complex and includes horizontal galleries, shafts and large rooms physically connected to the mine pit. Specific conductance and temperature profiles obtained in the pit lake draw a physical structure with four monimolimnetic sub-layers of increasing density with depth. This characteristic stratification with m-scale layers separated by sharp transitional zones is rather unusual in other pit lakes and in most natural lakes. Tritium abundance in the different layers indicates that the deep lake water entered the pit basin between 1971 and 1972 which is coincident with the dates of mine closure. The oxygen and deuterium isotope composition of the different layers describes a marked and stable stratification, with an increasing evaporative influence towards the lake surface and a minimal influence of groundwater flow on the structure and composition of the monimolimnion. This study reveals that the initial stages of flooding (via influx of metal- and sulfate-loaded mine drainage from underlying galleries at different depths) may be essential to imprint a layered physical structure to pit lakes which would be very difficult to explain merely by physical processes. After reaching its present water level and morphology, the monimolimnion of this pit lake seems to have remained essentially isolated and chemically unmodified during decades.

  1. Using combined GRACE and GPS data to investigate the vertical crustal deformation at the northeastern margin of the Tibetan Plateau

    NASA Astrophysics Data System (ADS)

    Zhao, Qian; Wu, Weiwei; Wu, Yunlong

    2017-02-01

    In this paper, two types of geodetic measurements, GRACE and GPS, are combined to study the vertical crustal deformation on the northeastern margin of the Tibetan Plateau. The GRACE and GPS derived results show that significant seasonal variations occur at 40 regional continuous GPS stations of the Crustal Movement Observation Network of China (CMONOC). The consistency between the seasonal variations in the GRACE and GPS data can be efficiently enhanced by decreasing the nonlinear deformation in the GPS time series with applying longer observation period. The vertical components of more than 78% of the total number of GPS stations exhibit correlations of more than 0.8 with respect to the corresponding GRACE components, and approximately 73% of the GPS vertical time series exhibit a significant root mean square reduction of approximately 40%, which increases to 60% when corresponding seasonal components derived from the GRACE measurements are subtracted. We consider that the vertical seasonal variations in the study area are caused by mass transfer related to hydrological loading, whereas the horizontal components are related to both mass transfer and other factors, such as the thermal elastic response of the GPS monuments and GPS data processing strategical deficits. These factors distinguish the main differences between the two measurements and exert larger influences in the eastward direction than in the northward direction, contributing to the total displacement. Finally, we use seasonal variations derived from the GRACE results to modify the vertical time series of corresponding GPS campaign stations to mitigate the influences of seasonal loading as much as possible in the dispersed time series. The results show that this modification can significantly reduce the scatter of campaign time series and improve the derived velocities uncertainties remarkably.

  2. A Randomized Investigation of Methadone Doses at or Over 100 mg/day, Combined with Contingency Management*

    PubMed Central

    Kennedy, Ashley P.; Phillips, Karran A.; Epstein, David H.; Reamer, Dave; Schmittner, John; Preston, Kenzie L.

    2012-01-01

    BACKGROUND Methadone maintenance for heroin dependence reduces illicit drug use, crime, HIV risk, and death. Typical dosages have increased over the past few years, based on strong experimental and clinical evidence that dosages under 60 mg/day are inadequate and that dosages closer to 100 mg/day produce better outcomes. However, there is little experimental evidence for the benefits of exceeding 100 mg/day, or for individualizing methadone dosages. We sought to provide such evidence. METHODS We combined individualized methadone dosages over 100 mg/day with voucher-based cocaine-targeted contingency management (CM) in 58 heroin- and cocaine-dependent outpatients. Participants were randomly assigned to receive a fixed dose increase from 70 mg/day to 100 mg/day, or to be eligible for further dose increases (up to 190 mg/day, based on withdrawal symptoms, craving, and continued heroin use). All dosing was double-blind. The main outcome measure was simultaneous abstinence from heroin and cocaine. RESULTS We stopped the study early due to slow accrual. Cocaine-targeted CM worked as expected to reduce cocaine use. Polydrug use (effect-size h = .30) and heroin craving (effect-size d = .87) were significantly greater in the flexible/high-dose condition than in the fixed-dose condition, with no trend toward lower heroin use in the flexible/high-dose participants. CONCLUSIONS Under double-blind conditions, dosages of methadone over 100 mg/day, even when prescribed based on specific signs and symptoms, were not better than 100 mg/day. This counterintuitive finding requires replication, but supports the need for additional controlled studies of high-dose methadone. PMID:23195924

  3. Investigation of a combined microdroplet generator and pneumatic nebulization system for quantitative determination of metal-containing nanoparticles using ICPMS.

    PubMed

    Ramkorun-Schmidt, Benita; Pergantis, Spiros A; Esteban-Fernández, Diego; Jakubowski, Norbert; Günther, Detlef

    2015-09-01

    In this work, a routinely applicable approach is presented to characterize metal NPs. Individual droplets generated from a microdroplet generator (MDG) were merged into an aerosol generated by a pneumatic nebulizer (PN) and introduced into an ICPMS. The MDG offers high transport efficiency of individual and discrete droplets and was therefore used to establish a calibration function for mass quantification of NPs which were introduced through the PN following the single particle procedure as described elsewhere. The major advantages of such a combined configuration include fast processing of large sample volumes, fast exchanges of different sample matrixes, and the calibration of the NP signal using traceable elemental standards, thus avoiding the need to use NP reference materials or other, not always thoroughly characterized, commercially available NPs. The transport efficiency of the sample introduction is calculated based on the fact that 100% of the calibrant reaches the plasma through the MDG, whereas for the PN a NP suspension containing a known number concentration is used. Alternatively, bulk analysis of the NP material allows transport efficiency determination without any additional information from reference NPs. With this method, we could determine the size of standard silver NPs at 60.4 ± 1.0 nm and 80.0 ± 1.4 nm, respectively, which agrees with the size ranges given by the supplier (60.8 ± 6.6 nm and 79.8 ± 5.4 nm). Furthermore, we were also able to determine the NPs number concentration of the sample (Ag/Au) with a deviation of 3.2% the expected value.

  4. The nature of marbled Terra Sigillata slips: a combined μXRF and μXRD investigation

    NASA Astrophysics Data System (ADS)

    Leon, Y.; Sciau, P.; Goudeau, P.; Tamura, N.; Webb, S.; Mehta, A.

    2010-05-01

    In addition to the red terra sigillata production, the largest Gallic workshop (La Graufesenque) made a special type of terra sigillata, called “marbled” by the archaeologists. Produced exclusively at this site, this pottery is characterized by a surface finish made of a mixture of yellow and red slips. Because the two slips are intimately mixed, it is difficult to obtain the precise composition of one of the two constituents without contamination from the other. In order to obtain very precise correlation at the appropriate scale between the color aspect and the elemental and mineralogical phase distributions in the slip, combined electron microprobe, X-ray micro spectroscopies and micro diffraction on cross-sectional samples were performed. The aim of this study is to discover how potters were able to produce this unique type of terra sigillata and especially this particular slip of an intense yellow color. Results show that the yellow component of marbled sigillata was made from a titanium-rich clay preparation. The color is due to the formation of a pseudobrookite (TiFe2O5) phase in the yellow part of the slip, the main characteristics of that structure being considered nowadays as essential for the fabrication of stable yellow ceramic pigments. Its physical properties such as high refractive indices and a melting point higher than that of most silicates widely used as ceramic colorants are indeed determinant for this kind of application. Finally, the red parts have a similar composition (elementary and mineralogical) to the one of standard red slip.

  5. Europium, uranyl, and thorium-phenanthroline amide complexes in acetonitrile solution: an ESI-MS and DFT combined investigation.

    PubMed

    Xiao, Cheng-Liang; Wang, Cong-Zhi; Mei, Lei; Zhang, Xin-Rui; Wall, Nathalie; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun

    2015-08-28

    The tetradentate N,N'-diethyl-N,N'-ditolyl-2,9-diamide-1,10-phenanthroline (Et-Tol-DAPhen) ligand with hard-soft donor atoms has been demonstrated to be promising for the group separation of actinides from highly acidic nuclear wastes. To identify the formed complexes of this ligand with actinides and lanthanides, electrospray ionization mass spectrometry (ESI-MS) combined with density functional theory (DFT) calculations was used to probe the possible complexation processes. The 1 : 2 Eu-L species ([EuL2(NO3)](2+)) can be observed in ESI-MS at low metal-to-ligand ([M]/[L]) ratios, whereas the 1 : 1 Eu-L species ([EuL(NO3)2](+)) can be observed when the [M]/[L] ratio is higher than 1.0. However, ([UO2L(NO3)](+)) is the only detected species for the uranyl complexes. The [ThL2(NO3)2](2+) species can be observed at low [M]/[L] ratios; the 1 : 2 species ([ThL2(NO3)](3+)) and a new 1 : 1 species ([ThL(NO3)3](+)) can be detected at high [M]/[L] ratios. Collision-induced dissociation (CID) results showed that Et-Tol-DAPhen ligands can coordinate strongly with metal ions, and the coordination moieties remain intact under CID conditions. Natural bond orbital (NBO), molecular electrostatic potential (MEP), electron localization function (ELF), atoms in molecules (AIM) and molecular orbital (MO) analyses indicated that the metal-ligand bonds of the actinide complexes exhibited more covalent character than those of the lanthanide complexes. In addition, according to thermodynamic analysis, the stable cationic M-L complexes in acetonitrile are found to be in good agreement with the ESI-MS results.

  6. Some Investigations of the General Instability of Stiffened Metal Cylinders VI : Stiffened Metal Cylinders Subjected to Combined Bending and Transverse Shear

    NASA Technical Reports Server (NTRS)

    1943-01-01

    This is the sixth of a series of reports covering an investigation of the general instability problem by the California Institute of Technology. The first five reports of this series cover investigations of the general instability problem under the loading conditions of pure bending and were prepared under the sponsorship of the Civil Aeronautics Administration. This report and the succeeding reports of this series cover the work done on other loading conditions under the sponsorship of the National Advisory Committee for Aeronautics. This report summarizes the work that has been carried on in the experimental investigation of the problem of general instability of stiffened metal cylinders subjected to combined bending and transverse shear at the C.I.T. This part of the investigation includes tests on 55 sheet-covered specimens.

  7. An investigation of a process for partial nitrification and autotrophic denitrification combined desulfurization in a single biofilm reactor.

    PubMed

    Liang, Zhiwei; Xu, Hanli; Wang, Yunlong; Yang, Shangyuan; Du, Ping

    2013-11-01

    In this study, a vertical submerged biofilm reactor was applied to investigate autotrophic partial nitrification/denitrification and simultaneous sulfide removal by using synthetic wastewater. The appropriate influent ratios of ammonia and sulfide needed to achieve partial autotrophic nitrification and denitrification were evaluated with influent ammonium nitrogen ranging from 54.6 to 129.8 mg L(-1) and sulfide concentrations ranging from 52.7 to 412.4 mg S L(-1). The results demonstrated that the working parameter was more stable when the sulfur/nitrogen ratio was set at 3:2, which yielded the maximum sulfur conversion. Batch experiments with different phosphate concentrations proved that a suitable phosphate buffer solution to control pH values could improve synchronous desulfurization denitrification process performance.

  8. Biomechanical investigation of thoracolumbar spine in different postures during ejection using a combined finite element and multi-body approach.

    PubMed

    Du, Chengfei; Mo, Zhongjun; Tian, Shan; Wang, Lizhen; Fan, Jie; Liu, Songyang; Fan, Yubo

    2014-11-01

    The aim of this study is to investigate the dynamic response of a multi-segment model of the thoracolumbar spine and determine how the sitting posture affects the response under the impact of ejection. A nonlinear finite element model of the thoracolumbar-pelvis complex (T9-S1) was developed and validated. A multi-body dynamic model of a pilot was also constructed so an ejection seat restraint system could be incorporated into the finite element model. The distribution of trunk mass on each vertebra was also considered in the model. Dynamics analysis showed that ejection impact induced obvious axial compression and anterior flexion of the spine, which may contribute to spinal injuries. Compared with a normal posture, the relaxed posture led to an increase in stress on the cortical wall, endplate, and intradiscal pressure of 43%, 10%, 13%, respectively, and accordingly increased the risk of inducing spinal injuries.

  9. Combining fMRI and SNP Data to Investigate Connections Between Brain Function and Genetics Using Parallel ICA

    PubMed Central

    Liu, Jingyu; Pearlson, Godfrey; Windemuth, Andreas; Ruano, Gualberto; Perrone-Bizzozero, Nora I.; Calhoun, Vince

    2009-01-01

    There is current interest in understanding genetic influences on both healthy and disordered brain function. We assessed brain function with functional magnetic resonance imaging (fMRI) data collected during an auditory oddball task—detecting an infrequent sound within a series of frequent sounds. Then, task-related imaging findings were utilized as potential intermediate phenotypes (endophenotypes) to investigate genomic factors derived from a single nucleotide polymorphism (SNP) array. Our target is the linkage of these genomic factors to normal/abnormal brain functionality. We explored parallel independent component analysis (paraICA) as a new method for analyzing multimodal data. The method was aimed to identify simultaneously independent components of each modality and the relationships between them. When 43 healthy controls and 20 schizophrenia patients, all Caucasian, were studied, we found a correlation of 0.38 between one fMRI component and one SNP component. This fMRI component consisted mainly of parietal lobe activations. The relevant SNP component was contributed to significantly by 10 SNPs located in genes, including those coding for the nicotinic α-7cholinergic receptor, aromatic amino acid decarboxylase, disrupted in schizophrenia 1, among others. Both fMRI and SNP components showed significant differences in loading parameters between the schizophrenia and control groups (P = 0.0006 for the fMRI component; P = 0.001 for the SNP component). In summary, we constructed a framework to identify interactions between brain functional and genetic information; our findings provide a proof-of-concept that genomic SNP factors can be investigated by using endophenotypic imaging findings in a multivariate format. PMID:18072279

  10. Investigating the effects of strap tension during non-invasive ventilation mask application: a combined biomechanical and biomarker approach

    PubMed Central

    Worsley, Peter R; Prudden, George; Gower, George; Bader, Dan L

    2016-01-01

    Non-invasive ventilation is commonly used for respiratory support. However, in some cases, mask application can cause pressure ulcers to specific features of the face, resulting in pain and reduced quality of life for the individual. This study investigated the effects of mask strap tension on the biomechanical and biomarker responses at the skin interface. Healthy participants (n = 13) were recruited and assigned two different masks in a random order, which were fitted with three strap conditions representing increments of 5 mm to increase tension. Masks were worn for 10 minutes at each tension followed by a 10-minute refractory period. Assessment at the device–skin interface included measurements of pressures at the nose and cheeks, temperature and humidity, a selection of inflammatory cytokine concentrations collected from sebum and scores of comfort. The results indicated significantly higher interface pressures at the bridge of the nose compared to the cheeks for both masks (p < 0.05), with nasal interface pressures significantly increasing with elevated strap tension (p < 0.05). One inflammatory cytokine, IL-1α, increased following mask application at the highest tension, with median increases from baselines ranging from 21 to 33%. The other cytokines revealed a less consistent trend with strap tension. The participants reported statistically greater discomfort during elevated strap tension. Temperature and humidity values under the mask were elevated from ambient conditions, although no differences were observed between mask type or strap tension. The bony prominence on the bridge of the nose represented a vulnerable area of skin during respiratory mask application. This study has shown that mask strap tension has a significant effect on the pressure exerted on the nose. This can result in discomfort and an inflammatory response at the skin surface. Further studies are required to investigate respiratory mask application for appropriate individuals with

  11. Investigating the contribution of shipping emissions to atmospheric PM2.5 using a combined source apportionment approach.

    PubMed

    Lang, Jianlei; Zhou, Ying; Chen, Dongsheng; Xing, Xiaofan; Wei, Lin; Wang, Xiaotong; Zhao, Na; Zhang, Yanyun; Guo, Xiurui; Han, Lihui; Cheng, Shuiyuan

    2017-10-01

    Many studies have been conducted focusing on the contribution of land emission sources to PM2.5 in China; however, little attention had been paid to other contributions, especially the secondary contributions from shipping emissions to atmospheric PM2.5. In this study, a combined source apportionment approach, including principle component analysis (PCA) and WRF-CMAQ simulation, was applied to identify both primary and secondary contributions from ships to atmospheric PM2.5. An intensive PM2.5 observation was conducted from April 2014 to January 2015 in Qinhuangdao, which was close to the largest energy output port of China. The chemical components analysis results showed that the primary component was the major contributor to PM2.5, with proportions of 48.3%, 48.9%, 55.1% and 55.4% in spring, summer, autumn and winter, respectively. The secondary component contributed higher fractions in summer (48.2%) and winter (36.8%), but had lower percentages in spring (30.1%) and autumn (32.7%). The hybrid source apportionment results indicated that the secondary contribution (SC) of shipping emissions to PM2.5 could not be ignored. The annual average SC was 2.7%, which was comparable to the primary contribution (2.9%). The SC was higher in summer (5.3%), but lower in winter (1.1%). The primary contributions to atmospheric PM2.5 were 3.0%, 2.5%, 3.4% and 2.7% in spring, summer, autumn and winter, respectively. As for the detailed chemical components, the contributions of shipping emissions were 2.3%, 0.5%, 0.1%, 1.0%, 1.7% and 0.1% to elements & sea salt, primary organic aerosol (POA), element carbon (EC), nitrate, sulfate and secondary organic carbon (SOA), respectively. The results of this study will further the understanding of the implications of shipping emissions in PM2.5 pollution. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Combined use of fallout radionuclides and stable isotopes for investigating soil erosion processes in a Moroccan watershed

    NASA Astrophysics Data System (ADS)

    Benmansour, Moncef; Mabit, Lionel; Zouagui, Anis; Amenzou, Nouredinne; Sabir, Mohamed; Nouira, Asmae; Brandt, Christian; Rasche, Frank; Naimi, Mustapha; Chikhaoui, Mohamed; Marah, Hamid; Benkdad, Azzouz; Taous, Fouad

    2015-04-01

    On-site and off-site impacts associated with land degradation by soil erosion are a major concern in Morocco. This study aimed to use fallout radionuclides (FRNs): Caesium-137 (137Cs), excess Lead-210 (210Pbex) and Beryllium-7 (7Be) in combination with carbon and nitrogen stable isotopes (i.e. Carbon-13 (13C) and Nitrogen-15 (15N)) in estimating soil loss in the "My Bouchta" watershed and the origin of sediment deposits in a downstream water reservoir (i.e. "Talembout"). Using 137Cs, the net soil erosion rate, for the "My Bouchta" watershed over a period of 50 years, was estimated at 23 t/ha/yr with a main sediment contribution (> 90{%}) from the agricultural fields, the forest and shrub fields contributing to less than 10{%} of the overall sediment production. This result indicates clearly the role and the effectiveness of the forest plantations and vegetation cover to protect soil resource against erosion processes. The use of the 210Pb^ex technique in three different fields further highlighted that soil erosion rates over a period of 100 years were lower than those obtained by 137Cs reflecting the increase of soil loss during the last decades. Tests of fallout 7Be associated with short rainfall events in four fields confirmed the results obtained with 137Cs, that areas under natural vegetation were protected against erosion. Sedimentation rates were assessed for the "Talembout" water reservoir and the mean values obtained for two sediment cores using 210Pbex and the Constant Rate of Supply (CRS) model were about 0.51-0.58 g/cm^2/yr. The obtained results showed also a significant yearly increase of the sedimentation rate. The results derived from the stable isotopes depth profiles indicated similar behavior for forest and shrub fields. Furthermore, strong correlation between δ13C and total C was observed for this type of land use while for the agricultural fields, the correlation was not significant. In addition, the sediment profile of N-15 indicated an

  13. COMBINED THEORETICAL AND EXPERIMENTAL INVESTIGATION OF MECHANISMS AND KINETICS OF VAPOR-PHASE MERCURY UPTAKE BY CARBONACOUES SURFACES

    SciTech Connect

    Radisav D. Vidic

    2002-05-01

    The first part of this study evaluated the application of a versatile optical technique to study the adsorption and desorption of model adsorbates representative of volatile polar (acetone) and non-polar (propane) organic compounds on a model carbonaceous surface under ultra high vacuum (UHV) conditions. The results showed the strong correlation between optical differential reflectance (ODR) and adsorbate coverage determined by temperature programmed desorption (TPD). ODR technique was proved to be a powerful tool to investigate surface adsorption and desorption from UHV to high pressure conditions. The effects of chemical functionality and surface morphology on the adsorption/desorption behavior of acetone, propane and mercury were investigated for two model carbonaceous surfaces, namely air-cleaved highly oriented pyrolytic graphite (HOPG) and plasma-oxidized HOPG. They can be removed by thermal treatment (> 500 K). The presence of these groups almost completely suppresses propane adsorption at 90K and removal of these groups leads to dramatic increase in adsorption capacity. The amount of acetone adsorbed is independent of surface heat treatment and depends only on total exposure. The effects of morphological heterogeneity is evident for plasma-oxidized HOPG as this substrate provides greater surface area, as well as higher energy binding sites. Mercury adsorption at 100 K on HOPG surfaces with and without chemical functionalities and topological heterogeneity created by plasma oxidation occurs through physisorption. The removal of chemical functionalities from HOPG surface enhances mercury physisorption. Plasma oxidation of HOPG provides additional surface area for mercury adsorption. Mercury adsorption by activated carbon at atmospheric pressure occurs through two distinct mechanisms, physisorption below 348 K and chemisorption above 348 K. No significant impact of oxygen functionalities was observed in the chemisorption region. The key findings of this study

  14. A combined FTIR and infrared emission spectroscopy investigation of layered double hydroxide as an effective electron donor

    NASA Astrophysics Data System (ADS)

    Zhang, Jia; Wei, Feng; Liang, Ying; Zhou, Jizhi; Xi, Yunfei; Qian, Guangren; Frost, Ray

    2016-02-01

    A novel method has been presented to characterize electron transfer in layered double hydroxides (LDHs) utilizing an investigation combing FTIR and infrared emission spectroscopy. At room temperature, electron could transfer to interlayer Fe3 + through monodentate ligand cyanide, and resulted in a reduction of 40% Fe3 + to Fe2 +. When the environmental temperature increased from 25 to 300 °C, reduction of Fe3 + and Ni2 + increased to 94% and 42%. Furthermore, electron also transferred to interlayer cation through multidentate ligand EDTA. As a result, LDHs has been proven to be an effective electron donor, and FTIR was a feasible tool in characterizing this property by monitoring the valence state of cations. It was also concluded that octahedral units with OH- groups in LDH layer functioned as electron donor centers. Driving force for electron transfer is attributed to the charge density difference between cation layer and probe anion. These results could help to explain the mechanism of various applications of LDHs in catalysis and photocatalysis.

  15. Investigations of FAK inhibitors: a combination of 3D-QSAR, docking, and molecular dynamics simulations studies.

    PubMed

    Cheng, Peng; Li, Jiaojiao; Wang, Juan; Zhang, Xiaoyun; Zhai, Honglin

    2017-05-31

    Focal adhesion kinase (FAK) is one kind of tyrosine kinases that modulates integrin and growth factor signaling pathways, which is a promising therapeutic target because of involving in cancer cell migration, proliferation, and survival. To investigate the mechanism between FAK and triazinic inhibitors and design high activity inhibitors, a molecular modeling integrated with 3D-QSAR, molecular docking, molecular dynamics simulations, and binding free energy calculations was performed. The optimum CoMFA and CoMSIA models showed good reliability and satisfactory predictability (with Q(2) = 0.663, R(2) = 0.987, [Formula: see text] = 0.921 and Q(2) = 0.670, R(2) = 0.981, [Formula: see text] = 0.953). Its contour maps could provide structural features to improve inhibitory activity. Furthermore, a good consistency between contour maps, docking, and molecular dynamics simulations strongly demonstrates that the molecular modeling is reliable. Based on it, we designed several new compounds and their inhibitory activities were validated by the molecular models. We expect our studies could bring new ideas to promote the development of novel inhibitors with higher inhibitory activity for FAK.

  16. Geophysical investigation of a freshwater lens on the island of Langeoog, Germany - Insights from combined HEM, TEM and MRS data

    NASA Astrophysics Data System (ADS)

    Costabel, Stephan; Siemon, Bernhard; Houben, Georg; Günther, Thomas

    2017-01-01

    A multi-method geophysical survey, including helicopter-borne electromagnetics (HEM), transient electromagnetics (TEM), and magnetic resonance sounding (MRS), was conducted to investigate a freshwater lens on the North Sea island of Langeoog, Germany. The HEM survey covers the entire island and gives an overview of the extent of three freshwater lenses that reach depths of up to 45 m. Ground-based TEM and MRS were conducted particularly on the managed western lens to verify the HEM results and to complement the lithological information from existing boreholes. The results of HEM and TEM are in good agreement. Salt- and freshwater-bearing sediments can, as expected, clearly be distinguished due to their individual resistivity ranges. In the resistivity data, a large transition zone between fresh- and saltwater with a thickness of up to 20 m is identified, the existence of which is verified by borehole logging and sampling. Regarding lithological characterisation of the subsurface, the MRS method provides more accurate and reliable results than HEM and TEM. Using a lithological index derived from MRS water content and relaxation time, thin aquitard structures as well as fine and coarse sand aquifers can be distinguished. Complementing the existing borehole data with the lithology information estimated from MRS, we generate a map showing the occurrence of aquitard structures, which significantly improves the hydrogeological model of the island. Moreover, we demonstrate that the estimates of groundwater conductivity in the sand aquifers from geophysical data are in agreement with the fluid conductivity measured in the boreholes.

  17. Facility Designed and Built to Investigate the Combined Effects of Contaminant and Atomic Oxygen on a Light-Transmitting Surface

    NASA Technical Reports Server (NTRS)

    Sechkar, Edward A.; Stueber, Thomas J.; Tutledge, Sharon K.; Banks, Bruce A.

    2000-01-01

    A need exists to investigate changes in the transparency of a light-transmitting surface during simultaneous exposure to a contaminant and an atomic oxygen (AO) flux. This mechanism may be responsible for the degradation of the light-transmitting surfaces of both photovoltaic cells and photodiodes currently in use on many low-Earth-orbit spacecraft. To address this need, researchers from the Electro-Physics Branch of the NASA Glenn Research Center at Lewis Field built such a test system within their AO beam facility. This facility produces an effective AO flux of 1.4 10(exp 16) atoms/sq cm/sec and contains a three-axis positioning system that provides the motion capability necessary for test operations. During testing, a target surface is held directly within the AO beam and close to two contaminant effusion cells. The effusion cells are shielded from the AO beam, and the outgassing contaminant is constrained to move across the target surface when heat is applied to either of the reservoirs. A light source is periodically moved over the target surface, and the transmitted light intensity is checked with a photodiode located below the target. This light source is also periodically checked with a separate photodiode, which is protected from contamination and AO exposure, to allow adjustments necessary to maintain a consistent light intensity.

  18. Structure of Nano-sized CeO2 Materials: Combined Scattering and Spectroscopic Investigations

    SciTech Connect

    Marchbank, Huw R.; Clark, Adam H.; Hyde, Timothy I.; Playford, Helen Y.; Tucker, Matthew G.; Thompsett, David; Fisher, Janet M.; Chapman, Karena W.; Beyer, Kevin A.; Monte, Manuel; Longo, Alessandro; Sankar, Gopinathan

    2016-08-29

    Here, the nature of nano-sized ceria, CeO2, systems were investigated using neutron and X-ray diffraction and X-ray absorption spectroscopy. Whilst both diffraction andtotal pair distribution functions (PDFs) revealed that in all the samples the occupancy of both Ce4+ and O2- are very close to the ideal stoichiometry, the analysis using reverse Monte Carlo technique revealedsignificant disorder around oxygen atoms in the nano sized ceria samples in comparison to the highly crystalline NIST standard.In addition, the analysis reveal that the main differences observed in the pair correlations from various X-ray and neutron diffraction techniques were attributed to the particle size of the CeO2 prepared by the reported three methods. Furthermore, detailed analysis of the Ce L3– and K-edge EXAFS data support this finding; in particular the decrease in higher shell coordination numbers with respect to the NIST standard, are attributed to differences in particle size.

  19. Combined Experimental and Molecular Simulation Investigation of the Individual Effects of Corexit Surfactants on the Aerosolization of Oil Spill Matter.

    PubMed

    Zhang, Zenghui; Avij, Paria; Perkins, Matt J; Liyana-Arachchi, Thilanga P; Field, Jennifer A; Valsaraj, Kalliat T; Hung, Francisco R

    2016-08-04

    We report laboratory aerosolization experiments and classical molecular dynamics (MD) simulations, with the objective of investigating the individual effects of the two Corexit surfactants Span 80 (nonionic) and dioctyl sodium sulfosuccinate (DOSS, ionic), on the aerosolization of oil spill matter to the atmosphere. Our simulation results show that Span 80, DOSS, and the oil alkanes n-pentadecane (C15) and n-triacontane (C30) exhibit deep free energy minima at the air/seawater interface. C15 and C30 exhibit deeper free energy minima at the interface when Span 80 is present, as compared to the situation when DOSS or no surfactants are at the interface. These results suggest that Span 80 makes these oil hydrocarbons more likely to be adsorbed at the surface of seawater droplets and carried out to the atmosphere, relative to DOSS or to the situation where no surfactants are present. These simulation trends are in qualitative agreement with our experimental observations in a bubble-column setup, where larger amounts of oil hydrocarbons are ejected when Span 80 is mixed with oil and injected into the column, as compared to when DOSS is used. Our simulations also indicate that Span 80 has a larger thermodynamic incentive than DOSS to move from the seawater phase and into the air/seawater interface. This observation is also in qualitative agreement with our experimental measurements, which indicate that Span 80 is ejected in larger quantities than DOSS. Our simulations also suggest that DOSS predominantly adopts a perpendicular orientation with respect to the air/seawater interface at a dispersant to oil ratio (DOR) of 1:20, but has a slight preference to lie parallel to the interfaces at a DOR = 1:5; in both cases, DOSS molecules have their tails wide open and stretched. In contrast, Span 80 has a slight preference to align parallel to the interfaces with a coiled conformation at both DOR values.

  20. Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: A combined experimental and theoretical analysis

    NASA Astrophysics Data System (ADS)

    Karabacak, Mehmet; Kose, Etem; Atac, Ahmet; Ali Cipiloglu, M.; Kurt, Mustafa

    2012-11-01

    This work presents the characterization of 2,3-difluorophenylboronic acid (abbreviated as 2,3-DFPBA, C6H3B(OH)2F2) by quantum chemical calculations and spectral techniques. The spectroscopic properties were investigated by FT-IR, FT-Raman UV-Vis, 1H and 13C nuclear magnetic resonance (NMR) techniques. The FT-IR spectrum (4000-400 cm-1) and the FT-Raman spectrum (3500-10 cm-1) in the solid phase were recorded for 2,3-DFPBA. The 1H and 13C NMR spectra were recorded in DMSO solution. The UV-Vis absorption spectra of the 2,3-DFPBA that dissolved in water and ethanol were recorded in the range of 200-400 nm. There are four possible conformers for this molecule. The computational results diagnose the most stable conformer of the 2,3-DFPBA as the trans-cis form. The structural and spectroscopic data of the molecule were obtained for all four conformers from DFT (B3LYP) with 6-311++G (d,p) basis set calculations. The theoretical wavenumbers were scaled and compared with experimental FT-IR and FT-Raman spectra. The complete assignments were performed on the basis of the experimental results and total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method, interpreted in terms of fundamental modes. We obtained good consistency between experimental and theoretical spectra. 13C and 1H NMR chemical shifts of the molecule were calculated by using the gauge-invariant atomic orbital (GIAO) method. The electronic properties, such as excitation energies, absorption wavelengths, HOMO and LUMO energies, were performed by time-dependent DFT (TD-DFT) approach. Finally the calculation results were analyzed to simulate infrared, Raman, NMR and UV spectra of the 2,3-DFPBA which show good agreement with observed spectra.

  1. a Combined Gigahertz and Terahertz Synchrotron-Based Fourier Transform Infrared Spectroscopic Investigation of Ortho-D

    NASA Astrophysics Data System (ADS)

    Albert, Sieghard; Chen, Ziqiu; Fábri, Csaba; Prentner, Robert; Quack, Martin; Zindel, Daniel

    2017-06-01

    Tunneling switching is a fundamental phenomenon of interest in molecular quantum dynamics including also chiral molecules and parity violation. Deuterated phenols have been identified as prototypical achrial candidates. We report the high resolution spectroscopic investigation of the ortho-D-phenol in the GHz and THz ranges following our recent discovery of tunneling switching in its isotopomer meta-D-phenol. Here we report new results on ortho-D-phenol.The pure rotational spectra were recorded in the range of 72-117 GHz and assigned to the syn- and anti- structures in the ground and the first excited torsional states. Specific torsional states were assigned based on a comparison of experimental rotational constants with the quasiadiabatic channel reaction path Hamiltonian (RPH) calculations. The torsional fundamental at 308 cm^{-1} and the first hot band at 275 cm^{-1} were subsequently assigned. The analyses of pure rotational and rovibrational spectra shall be discussed in detail in relation to possible tunneling switching. M. Quack , Fundamental Symmetries and Symmetry Violations from High-resolution Spectroscopy, Handbook of High Resolution Spectroscopy, M. Quack and F. Merkt eds.,John Wiley & Sons Ltd, Chichester, New York, 2001, vol. 1, ch. 18, pp. 659-722. R. Prentner, M. Quack, J. Stohner and M. Willeke, J. Phys. Chem. A 119, 12805-12822 (2015). S. Albert, Z. Chen, C. Fábri, R. Prentner M. Quack and D. Zindel, paper at this meeting. S. Albert, Ph. Lerch, R. Prentner and M. Quack, Angew. Chem. Int. Ed. 52, 346-349 (2013). S. Albert, Z. Chen, C. Fábri,P. Lerch, R. Prentner and M. Quack, Mol.Phys. 114, 2751-2768 (2016) and 71st International Symposium on Molecular Spectroscopy, Urbana-Champaign, USA, June 20-24, Talk FE04 (2016).

  2. Microbial methane turnover at Marmara Sea cold seeps: a combined 16S rRNA and lipid biomarker investigation.

    PubMed

    Chevalier, N; Bouloubassi, I; Birgel, D; Taphanel, M-H; López-García, P

    2013-01-01

    Lipid biomarkers and their stable carbon isotopic composition, as well as 16S rRNA gene sequences, were investigated in sediment cores from active seepage zones in the Sea of Marmara (Turkey) located on the active North Anatolian Fault, to assess processes associated with methane turnover by indigenous microbial communities. Diagnostic (13) C-depleted archaeal lipids of anaerobic methane oxidizers were only found in one core from the South of Çinarcik Basin and consist mainly of archaeol, sn-2 hydroxyarchaeol and various unsaturated pentamethylicosenes. Concurrently, abundant fatty acids (FAs) and a substantial amount of monoalkylglycerolethers (MAGEs), assigned to sulphate-reducing bacteria, were detected with strong (13) C-depletions. Both microbial lipids and their δ(13) C values suggest that anaerobic oxidation of methane with sulphate reduction (AOM/SR) occurs, specially in the 10- to 12-cm depth interval. Lipid biomarker results accompanied by 16S rRNA-based microbial diversity analyses showed that ANME-2 (ANME-2a and -2c) archaea and Desulfosarcina/Desulfococcus and Desulfobulbus deltaproteobacterial clades are the major AOM assemblages, which indicate a shallow AOM community at high methane flux. Apart from the typical AOM lipid biomarker pattern, a (13) C-depleted diunsaturated hydrocarbon, identified as 7,14-tricosadiene, occurred in the inferred maximum AOM interval at 10-12 cm depth. Its isotopic fingerprint implies that its microbial precursor occurs in close association with the AOM communities. Interestingly, the presence of 7,14-tricosadiene coincides with the presence of the so-far uncultured bacterial Candidate Division JS1, often detected in AOM areas. We propose the hypothesis that the JS1 bacterial group could be the potential source of (13) C-depleted tricosadiene. Future testing of this hypothesis is essential to fully determine the role of this bacterial group in AOM. © 2012 Blackwell Publishing Ltd.

  3. Combined experimental and theoretical investigation of the CO 2 adsorption on LaMnO 3+y perovskite oxide

    NASA Astrophysics Data System (ADS)

    Hammami, Ramzi; Batis, Habib; Minot, Christian

    2009-10-01

    The surface interaction of CO 2 with the perovskite-type oxide LaMnO 3+y has been investigated by means of density functional theory calculations and experimental measurements of adsorption isotherms in the temperature range 298-473 K. A (1 0 0) oriented slab of the cubic structure was used for modeling CO 2 adsorption. The reference unit cell contains alternating LaO + layers and MnO2- layers; one slab is LaO +-terminated and the opposite surface is MnO2- terminated. A Freundlich isotherm fitted the experimental data satisfactorily. Analysis of the isosteric heat revealed an energetically heterogeneous character for the lanthanum manganite oxide surface, mainly due to the degree of heterogeneity of the adsorption center and due to the adsorbate-adsorbate lateral interactions. Considering theoretical calculations and thermodynamical approaches, two types of active sites were found to be responsible for irreversible and reversible adsorption of CO 2 as a function of surface coverage and O 2 treatment. Strong adsorption takes place on the surface containing La cations. The strongest adsorption is associated with surface oxygen vacancies, Fs° center. The next strongest adsorption, a flat adaptation of CO 2 molecules with respect to the surface sites, with a strong binding to a surface oxygen, leads to chemisorbed carbonate species. These adsorption modes are chiefly indicative of a high basic character of the lanthanum manganite oxide surface. Several cationic sites formed by lanthanum and manganese cations are able to weakly adsorb CO 2 molecules in perpendicular or bridged forms. The latter adsorption modes suggest a weak acidic character of the manganite adsorbent.

  4. Internal structural changes in keratin fibres resulting from combined hair waving and stress relaxation treatments: a Raman spectroscopic investigation.

    PubMed

    Kuzuhara, A

    2016-04-01

    The objective of our research was to investigate the influence of chemical treatments (reduction, stress relaxation and oxidation) on hair keratin fibres. The structure of cross-sections at various depths of virgin white human hair resulting from permanent waving treatments with stress relaxation process was directly analysed at a molecular level using Raman spectroscopy. In particular, the three disulphide (-SS-) conformations in human hair were compared by S-S band analysis. The gauche-gauche-gauche (GGG) and gauche-gauche-trans (GGT) contents of -SS- groups remarkably decreased, while the trans-gauche-trans (TGT) content was not changed by performing the reduction process with thioglycolic acid. In addition, the high-temperature stress relaxation process after reduction accelerated the disconnection of -SS- (GGG and GGT) groups in the human hair, while the low-temperature stress relaxation process after reduction accelerated the reconnection of -SS- (GGG and GGT) groups. Moreover, the S-O band intensity at 1042 cm(-1) , assigned to cysteic acid, existing in the cuticle region and the surface of the cortex region increased, while the GGG content significantly decreased by performing the oxidation process after the reduction and the high-temperature stress relaxation processes. The author concluded that the high-temperature relaxation process after reduction accelerated the disconnection of -SS- (GGG and GGT) groups, thereby leading to the remarkable local molecular disorganization (an increase in the cysteic acid content and a decrease in the GGG content) on the cuticle and cortex cells during the oxidation process. © 2015 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

  5. Investigation of Karst Cavities and Earth Subsidence with Combined Application of Boring and Geophysics in the Progress of High-Speed Railway Routes

    NASA Astrophysics Data System (ADS)

    Lehmann, Bodo; Pöttler, Rudolf; Radinger, Alexander; Kühne, Manfred

    In Germany there are a lot of new high-speed railways in planning or under construction. One of these is the new Nuremberg - Ingolstadt railway line and the updated line from Ingolstadt to Munich. These two lines will form part of a high-speed trans-European railway link from Scandinavia via Berlin to Munich and Verona. The 78 km railway line construction project has been divided into three contract sections: Contract Section North, mainly characterised by pure earth and bridge works; Contract Section Centre, with the emphasis mainly on tunnel construction; and Contract Section South, combining earthworks and tunnelling. Extensive geophysical investigations combined with borings are carried out in critical areas between Nuremberg and Ingolstadt. The target of this geological exploration phase is mainly the detection of karst pits and earth subsidences (dolines). In this area these geological objects are an important aspect for the stability and permanent serviceability of the high-speed railway routes. The exploration concept on the open stretch consists of combined geological enquiry, geotechnical work, geophysical investigations and borings, which are positioned at the found anomalies of geophysics. The survey leads to a common interpretation of all information and results. After several test campaigns the combination of at least two geophysical methods yields to the best results. Dependent on the thickness of the overburden layer seismics, micro-gravity and/or georadar are applied from the surface. Additionally tomographic methods are used between boreholes for special topics. Important for the success of the investigation in difficult geological areas are the excellent co-operation between all scientists, engineers and technicians (geologists, geotechnicians, geophysicists, driller, consultants, etc.).

  6. The Crustal Structure of Beira High, Central Mozambique - Combined Investigation of Wide-angle Seismic and Potential Field Data

    NASA Astrophysics Data System (ADS)

    Müller, C. O.; Schreckenberger, B.; Heyde, I.; Jokat, W.

    2015-12-01

    the lowermost velocity gradients to allow a sound interpretation of the Beira High origin. The acquired shipborne, magnetic data show a complex magnetic pattern and strong influences by the presence of lava flows and intrusions and require further investigations. We will introduce the latest results of the joint interpretation of seismic and potential field data sets.

  7. Selectivity of a Singly Permeating Ion in Nonselective NaK Channel: Combined QM and MD Based Investigations.

    PubMed

    Sadhu, Biswajit; Sundararajan, Mahesh; Bandyopadhyay, Tusar

    2015-10-08

    Ion channels, such as potassium channels are known to discriminate ions to achieve remarkable selective transportation of K(+) over Na(+) through the membrane. The recently reported NaK ion channel, on the contrary, seems to be an exception, as it is observed to permeate most of the group IA alkali metal cations and hence is suggested to be nonselective in nature. However, does that correspond to a complete annihilation of selectivity inside the selectivity filter (SF) of the channel? What is the origin of such nonselectivity/selectivity, if any? The present computational study is an extensive multiscale modeling approach to find the probable answers to these intriguing questions. Here, we have used density functional theory (DFT) based calculations using a realistic truncated model of SF from the crystal structures of the NaK ion channel to evaluate the binding of various alkali metal ions (Na(+), K(+) and Cs(+)), free from "contamination" due to the absence any other "rivalry" cations, in its different binding sites. Among all of the possible binding sites, a vestibule is noticed to be nonselective and seen to act as a probable binding site only in the presence of multiple ions. Binding sites S3 and S4 are found to be selective for K(+) and Na(+), respectively. As an important observation, we find that calculations on oversimplified models using an isolated ion binding site may lead to an erroneous selectivity trend as it neglects the synergetics of consecutive binding sites on the final outcome. Energy decomposition analysis revealed ion-dipole electrostatics as the major contributing interaction in metal-bound binding sites. Our investigations find that although NaK is permeable to monovalent alkali metal ions, strongly "site specific" selectivity does exist at the three well-defined noncontiguous binding sites of the SF. Different important physicomechanical parameters (such as ligating environment, synergistic influence of binding sites, and topological

  8. A combined paleomagnetic/dating investigation of the upper Jaramillo transition from a volcanic section at Tenerife (Canary Islands)

    NASA Astrophysics Data System (ADS)

    Kissel, C.; Guillou, H.; Laj, C.; Carracedo, J. C.; Perez-Torrado, F.; Wandres, C.; Rodriguez-Gonzalez, A.; Nomade, S.

    2014-11-01

    A coupled paleomagnetic/dating investigation has been conducted on a sequence of 25 successive lava flows, emplaced during the upper transition of the Jaramillo subchron in Tenerife, Canary Islands. This sequence is located along the western wall of the Güímar collapse scar, in the south central part of the island. Nine flows distributed throughout this sequence were dated using unspiked K/Ar and 40Ar/39Ar methods. They bracket the section between 1009±22 ka and 971±21 ka (2σ). A first group of 8 flows at the bottom of the sequence is characterized by normal polarity with paleointensity values of the order of present-day field intensity in the Canary Islands. The virtual geomagnetic poles (VGP) of these 8 flows describe a short loop at high latitudes. Seven overlying flows are transitional in directions and dated between 991±14 ka and 1002±11 ka consistently with published ages of the upper Jaramillo reversal. This second group of flows is characterized by low paleointensity values (around 8-12 μT) that are less than 30% of the present dipole value in Tenerife. The VGPs of the first two transitional flows lie over northeastern Pacific whereas the five following transitional flows have all negative inclinations and their VGPs lie initially over East Antarctica, then describe a northward loop almost reaching New Zealand. The final group of ten flows yield intensities varying between 20 and 35 μT and VGPs close to the southern pole with two of them describing a small amplitude second loop to southeastern Pacific. Assuming a constant extrusion rate as a very first approximation, the distribution of the obtained ages suggests a duration of 7.6±5.6 ka for the transitional interval. The obtained transitional positions of VGPs are consistent with the path reported for the same reversal from North Atlantic sediments but are different from the only other volcanic record from Tahiti. The intensity low characterizing the transitional interval remains the best tie

  9. Genotypic identification of some lactic acid bacteria by amplified fragment length polymorphism analysis and investigation of their potential usage as starter culture combinations in Beyaz cheese manufacture.

    PubMed

    Karahan, A G; Başyiğit Kiliç, G; Kart, A; Sanlidere Aloğlu, H; Oner, Z; Aydemir, S; Erkuş, O; Harsa, S

    2010-01-01

    In this study, 2 different starter culture combinations were prepared for cheesemaking. Starter culture combinations were formed from 8 strains of lactic acid bacteria. They were identified as Lactococcus lactis ssp. lactis (2 strains), Lactobacillus plantarum (5 strains), and Lactobacillus paraplantarum (1 strain) by amplified fragment length polymorphism analysis. The effects of these combinations on the physicochemical and microbiological properties of Beyaz cheeses were investigated. These cheeses were compared with Beyaz cheeses that were produced with a commercial starter culture containing Lc. lactis ssp. lactis and Lc. lactis ssp. cremoris as control. All cheeses were ripened in brine at 4 degrees C for 90 d. Dry matter, fat in dry matter, titratable acidity, pH, salt in dry matter, total N, water-soluble N, and ripening index were determined. Sodium dodecyl sulfate-PAGE patterns of cheeses showed that alpha(S)-casein and beta-casein degraded slightly during the ripening period. Lactic acid bacteria, total mesophilic aerobic bacteria, yeast, molds, and coliforms were also counted. All analyses were repeated twice during d 7, 30, 60, and 90. The starter culture combinations were found to be significantly different from the control group in pH, salt content, and lactobacilli, lactococci, and total mesophilic aerobic bacteria counts, whereas the cheeses were similar in fat, dry matter content, and coliform, yeast, and mold counts. The sensory analysis of cheeses indicated that textural properties of control cheeses presented somewhat lower scores than those of the test groups. The panelists preferred the tastes of treatment cheeses, whereas cheeses with starter culture combinations and control cheeses had similar scores for appearance and flavor. These results indicated that both starter culture combinations are suitable for Beyaz cheese production.

  10. Dosimetric and delivery efficiency investigation for treating hepatic lesions with a MLC-equipped robotic radiosurgery–radiotherapy combined system

    SciTech Connect

    Jin, Lihui Price, Robert A.; Wang, Lu; Meyer, Joshua; Fan, James; Charlie Ma, Chang Ming

    2016-02-15

    Purpose: The CyberKnife M6 (CK-M6) Series introduced a multileaf collimator (MLC) for extending its capability from stereotactic radiosurgery/stereotactic radiotherapy (SBRT) to conventionally fractionated radiotherapy. This work is to investigate the dosimetric quality of plans that are generated using MLC-shaped beams on the CK-M6, as well as their delivery time, via comparisons with the intensity modulated radiotherapy plans that were clinically used on a Varian Linac for treating hepatic lesions. Methods: Nine patient cases were selected and divided into three groups with three patients in each group: (1) the group-one patients were treated conventionally (25 fractions); (2) the group-two patients were treated with SBRT-like hypofractionation (5 fractions); and (3) the group-three patients were treated similar to group-one patients, but with two planning target volumes (PTVs) and two different prescription dose levels correspondingly. The clinically used plans were generated on the ECLIPSE treatment planning system (TPS) and delivered on a Varian Linac (E-V plans). The multiplan (MP) TPS was used to replan these clinical cases with the MLC as the beam device for the CK-M6 (C-M plans). After plans were normalized to the same PTV dose coverage, comparisons between the C-M and E-V plans were performed based on D{sub 99%} (percentage of prescription dose received by 99% of the PTV), D{sub 0.1cm{sup 3}} (the percentage of prescription dose to 0.1 cm{sup 3} of the PTV), and doses received by critical structures. Then, the delivery times for the C-M plans will be obtained, which are the MP TPS generated estimations assuming having an imaging interval of 60 s. Results: The difference in D{sub 99%} between C-M and E-V plans is +0.6% on average (+ or − indicating a higher or lower dose from C-M plans than from E-V plans) with a range from −4.1% to +3.8%, and the difference in D{sub 0.1cm{sup 3}} was −1.0% on average with a range from −5.1% to +2.9%. The PTV

  11. Origin of basaltic magmas of Perşani volcanic field, Romania: A combined whole rock and mineral scale investigation

    NASA Astrophysics Data System (ADS)

    Harangi, Szabolcs; Sági, Tamás; Seghedi, Ioan; Ntaflos, Theodoros

    2013-11-01

    The Perşani volcanic field is a low-volume flux monogenetic volcanic field in the Carpathian-Pannonian region, eastern-central Europe. Volcanic activity occurred intermittently from 1200 ka to 600 ka, forming lava flow fields, scoria cones and maars. Selected basalts from the initial and younger active phases were investigated for major and trace element contents and mineral compositions. Bulk compositions are close to those of the primitive magmas; only 5-12% olivine and minor spinel fractionation occurred at 1300-1350 °C, followed by clinopyroxenes at about 1250 °C and 0.8-1.2 GPa. Melt generation occurred in the depth range from 85-90 km to 60 km. The estimated mantle potential temperature, 1350-1420 °C, is the lowest in the Pannonian Basin. It suggests that no thermal anomaly exists in the upper mantle beneath the Perşani area and that the mafic magmas were formed by decompression melting under relatively thin continental lithosphere. The mantle source of the magmas could be slightly heterogeneous, but is dominantly variously depleted MORB-source peridotite, as suggested by the olivine and spinel composition. Based on the Cr-numbers of the spinels, two coherent compositional groups (0.38-0.45 and 0.23-0.32, respectively) can be distinguished that correspond to the older and younger volcanic products. This indicates a change in the mantle source region during the volcanic activity as also inferred from the bulk rock major and trace element data. The younger basaltic magmas were generated by lower degree of melting, from a deeper and compositionally slightly different mantle source compared to the older ones. The mantle source character of the Perşani magmas is akin to that of many other alkaline basalt volcanic fields in the Mediterranean close to orogenic areas. The magma ascent rate is estimated based on compositional traverses across olivine xenocrysts using variations of Ca content. Two heating events are recognized; the first one lasted about 1

  12. REE and actinide microdistribution in Sahara 97072 and ALHA77295 EH3 chondrites: A combined cosmochemical and petrologic investigation

    NASA Astrophysics Data System (ADS)

    Gannoun, A.; Boyet, M.; El Goresy, A.; Devouard, B.

    2011-06-01

    We report the results of rare earth elements (REEs) and U-Th inventory of individual minerals (oldhamite, enstatite and niningerite) in two of the most unequilibrated and primitive EH3 known so far, ALHA77295 and Sahara 97072. Under the highly reducing condition that prevailed during the formation of enstatite chondrites, REEs are mainly chalcophile and concentrated in oldhamite. The study is guided by detailed petrographic investigations of the individual minerals in chondrules, complex sulfide-metal clasts and enstatite-dominated matrices. We developed two textural parameters in order to resolve the evolution of oldhamite condensates and their residence in the solar gas prior to their accretion in the individual objects or in matrices and relate these textural features to the measured REE patterns of the individual oldhamite crystals. These textural parameters are the crystal habit of oldhamite grains (idiomorphic or anhedral) and their host assemblages. REE concentrations were measured by SIMS and LA-ICPMS. Oldhamite grains display REE enrichments (10-100 × CI). Four types of REE patterns are encountered in oldhamite in ALHA77295. In general the REE distributions cannot be assigned to a specific oldhamite-bearing assemblage. The most represented REE pattern is characterized by both slight to large positive Eu and Yb anomalies and is enriched in light REEs relative to heavy REEs. This pattern is present in 97% of oldhamite in Sahara 97072, suggesting a different source region in the reduced part of the nebula or different parental EH asteroids for the two EH3 chondrites. Different parental asteroids are also supported by MgS-FeS zoning profiles in niningerite grains adjacent to troilite revealing both normal and reverse zoning trends and different MnS contents. The observed homogeneity of REE distribution in oldhamite grains in Sahara 97072 is not related to the mild metamorphic event identified in this meteorite that caused breakdown of the major K- and Rb

  13. Numerical Investigation on Atmospheric-Pressure Dielectric Barrier Discharges Driven by Combined rf and Short-Pulse Sources in Co-Axial Electrodes

    NASA Astrophysics Data System (ADS)

    Wang, Qi; Sun, Ji-zhong; Nozaki, Tomohiro; Wang, De-zhen

    Atmospheric-pressure discharges driven by combined rf and short-pulse sources in co-axial electrodes were investigated in this work using a one-dimensional self-consistent fluid model. It demonstrated that the plasma intensity in the rf discharge could be enhanced drastically when an additional low-duty-ratio pulse source was applied to the discharge. The study investigated how the plasma density varied with the voltage amplitude of the pulse source. Results showed that the discharge mode turned into glow mode as the pulse amplitude exceeded a critical value. Two cases were investigated on the premise that the outer electrode was electrically grounded: in the first case the positive pulse was applied to the inner electrode while in the second case the negative pulse was used instead, and the spatial discharge characteristics were compared.

  14. An investigation and characterization on alginate hydogel dressing loaded with metronidazole prepared by combined inotropic gelation and freeze-thawing cycles for controlled release.

    PubMed

    Sarheed, Omar; Rasool, Bazigha K Abdul; Abu-Gharbieh, Eman; Aziz, Uday Sajad

    2015-06-01

    The purpose of this study was to investigate the effect of combined Ca(2+) cross-linking and freeze-thawing cycle method on metronidazole (model drug) drug release and prepare a wound film dressing with improved swelling property. The hydrogel films were prepared with sodium alginate (SA) using the freeze-thawing method alone or in combination with ionotropic gelation with CaCl2. The gel properties such as morphology, swelling, film thickness, and content uniformity and in vitro dissolution profiles using Franz diffusion cell were investigated. The cross-linking process was confirmed by differential scanning calorimetry (DSC) and Fourier transform infrared (FTIR) spectroscopy. In vitro protein adsorption test, in vivo wound-healing test, and histopathology were also performed. The hydrogel (F2) composed of 6% sodium alginate and 1% metronidazole prepared by combined Ca(2+) cross-linking and freeze-thawing cycles showed good swelling. This will help to provide moist environment at the wound site. With the in vivo wound-healing and histological studies, F2 was found to improve the wound-healing effect compared with the hydrogel without the drug, and the conventional product.

  15. Investigation of the local density of states in self-assembled GeSi/Si(001) nanoislands by combined scanning tunneling and atomic-force microscopy

    SciTech Connect

    Borodin, P. A.; Bukharaev, A. A.; Filatov, D. O. Isakov, M. A.; Shengurov, V. G.; Chalkov, V. Yu.; Denisov, Yu. A.

    2011-03-15

    The local density of states in self-assembled GeSi/Si(001) nanoislands is investigated for the first time by combined tunneling and atomic-force scanning microscopy. Current images and tunneling spectra of individual GeSi/Si(001) islands are obtained. These measurements yield the spatial and energy distributions of the local density of states in GeSi islands, respectively. The tunneling spectroscopy data demonstrate that uncapped Ge{sub 0.3}Si{sub 0.7}/Si(001) islands behave as type-I heterostructures.

  16. Investigation of the Aerodynamic Characteristics of a Model Wing-Propeller Combination and of the Wing and Propeller Separately at Angles of Attack up to 90 Degrees

    NASA Technical Reports Server (NTRS)

    Kuhn, Richard E; Draper, John W

    1956-01-01

    This report presents the results of an investigation conducted in the Langley 300 mph 7- by 10-foot wind tunnel for the purpose of determining the aerodynamic characteristics of a model wing-propeller combination, and of the wing and propeller separately at angles of attack up to 90 degrees. The tests covered thrust coefficients corresponding to free-stream velocities from zero forward speed to the normal range of cruising speeds. The results indicate that increasing the thrust coefficient increases the angle of attack for maximum lift and greatly diminishes the usual reduction in lift above the angle of attack for maximum lift.

  17. Investigation of growth of thin layers of perovskite on native silicon dioxide by a combination of atomic force microscopy and transmission electron microscopy

    NASA Astrophysics Data System (ADS)

    Taghi Khani, A.; Walther, T.

    2013-11-01

    Thin layers of (Sr,Ba)TiO3 perovskite have been grown on native silicon dioxide by pulsed laser deposition at the Technical University of Darmstadt, Germany. Atomic force microscopy (AFM) has been used to investigate the surfaces of the native silicon oxide before and after over-growth by the perovskite in plan-view. Bright-field and dark-field scanning transmission electron microscopy (STEM) in a JEOL 2010F field-emission transmission electron microscope have been combined to investigate the layer stacks of Si/SiO2/(Ba,Sr)TiO3 in cross-section. The aim is to correlate surface roughnesses in plan-view geometry with interface roughness in cross-sectional geometry, with an emphasis on detecting percolation in the perovskite layers if they approach thicknesses of only a few unit cells.

  18. Daily reduction of oral malodor with the use of a sonic tongue brush combined with an antibacterial tongue spray in a randomized cross-over clinical investigation.

    PubMed

    Saad, S; Gomez-Pereira, P; Hewett, K; Horstman, P; Patel, J; Greenman, J

    2016-02-12

    The objective of this clinical investigation was to test the effectiveness on breath odor of a newly designed sonic tongue brush (TongueCare+, TC). It consists of a soft silicone brush optimally designed based on the tongue's anatomy to remove bacterial biofilm from the tongue's complex surface, and it is coupled with a sonic power toothbrush handle. TC was used in combination with an antibacterial tongue spray (BreathRx, BRx) containing 0.09% cetylpyridinium chloride and 0.7% zinc gluconate. A total of 21 participants with oral malodor exceeding the threshold for recognition took part in this cross-over clinical investigation, which consisted of a single use of four treatment arms with one week washout period in between. The treatments consisted of: (1) TC  +  BRx, (2) TC  +  water, (3) BRx and (4) water. Malodor levels and bacterial density were monitored up to 6 h by organoleptic scoring and selective plating, respectively. The organoleptic score and bacterial density were significantly lower after using TC  +  BRx compared to all alternative treatments at all time points. A significant decrease in both parameters was detected after a single use of TC  +  BRx, from levels characteristic of high oral malodor, to barely noticeable levels after treatment and this was maintained up to 6 h. Moreover, we identified a significant positive correlation between bacterial density and organoleptic score, confirming that bacterial tongue biofilm is the root cause of oral malodor in these subjects. The results of this clinical investigation demonstrated that the combined treatment of a sonic tongue brush with the antibacterial tongue spray is able to deliver more than 6 h of fresh breath following a single use. The clinical investigation was registered at the ISRCTN registry under study identification number ISRCTN38199132.

  19. Emplacement and geochemical evolution of highly evolved syenites investigated by a combined structural and geochemical field study: The lujavrites of the Ilímaussaq complex, SW Greenland

    NASA Astrophysics Data System (ADS)

    Ratschbacher, Barbara C.; Marks, Michael A. W.; Bons, Paul D.; Wenzel, Thomas; Markl, Gregor

    2015-08-01

    Structural mapping and the combined study of magmatic to solid-state deformation textures and mineral compositions in highly evolved nepheline syenites (lujavrites) of the alkaline to peralkaline Ilímaussaq complex (South Greenland) reveal detailed insight into the emplacement and geochemical evolution of the melts they crystallized from. Based on magmatic to solid-state flow textures such as foliations and lineations, we propose that the investigated rock sequence forms a sill-like structure with a steep feeder zone that flattens out over a short distance and intrudes into less evolved overlying units as sub-horizontal sheets by roof uplift. Systematic compositional variation of early-magmatic eudialyte-group minerals (EGM) in the investigated rock sequence monitors the geochemical evolution of the lujavrite-forming melt(s). The chlorine contents of EGM decrease successively upwards within the rock sequence, which probably indicates a successive increase of water activity during differentiation, consistent with a change from sodic pyroxene (aegirine) to sodic amphibole (arfvedsonite) in the mineral assemblage. Both REE contents and Fe/Mn ratios of EGM are promising differentiation indicators, which increase and decrease, respectively, upwards within the sequence due to fractional crystallization. This closed-system evolution is interrupted by a shift towards less evolved melt compositions in one lujavrite unit, for which we assume magma recharge. Our study demonstrates the strength of a combined structural and petrological approach to understand the petrogenesis of an igneous body in more detail and highlights their close connection.

  20. Combination of long-acting microcapsules of the D-tryptophan-6 analog of luteinizing hormone-releasing hormone with chemotherapy: investigation in the rat prostate cancer model.

    PubMed Central

    Schally, A V; Redding, T W

    1985-01-01

    The effect of combining hormonal treatment consisting of long-acting microcapsules of the agonist [D-Trp6]LH-RH (the D-tryptophan-6 analog of luteinizing hormone-releasing hormone) with the chemotherapeutic agent cyclophosphamide was investigated in the Dunning R-3327H rat prostate cancer model. Microcapsules of [D-Trp6]LH-RH formulated from poly(DL-lactide-co-glycolide) and calculated to release a controlled dose of 25 micrograms/day were injected intramuscularly once a month. Cyclophosphamide (Cytoxan) (5 mg/kg of body weight) was injected intraperitoneally twice a week. When the therapy was started 90 days after tumor transplantation--at the time that the cancers were well developed-and was continued for 2 months, tumor volume was significantly reduced by the microcapsules or Cytoxan given alone. The combination of these two agents similarly inhibited tumor growth but did not show a synergistic effect. In another study, the treatment was started 2 months after transplantation, when the developing tumors measured 60-70 mm3. Throughout the treatment period of 100 days, the microcapsules of [D-Trp6]LH-RH reduced tumor volume more than Cytoxan did, and the combination of the two drugs appeared to completely arrest tumor growth. Tumor weights also were diminished significantly in all experimental groups, the decrease in weight being smaller in the Cytoxan-treated group than in rats that received the microcapsules. The combination of Cytoxan plus the microcapsules was 10-100 times more effective than the single agents in reducing tumor weights. In both experiments, testes and ventral prostate weights were significantly diminished, serum testosterone was suppressed to undetectable levels, and prolactin values were reduced by administration of microcapsules of [D-Trp6]LH-RH alone or in combination with Cytoxan. These results in rats suggest that combined administration of long acting microcapsules of [D-Trp6]LH-RH with a chemotherapeutic agent, started soon after the

  1. Investigation of Elimination Rate, Persistent Subpopulation Removal, and Relapse Rates of Mycobacterium tuberculosis by Using Combinations of First-Line Drugs in a Modified Cornell Mouse Model

    PubMed Central

    Pertinez, Henry; Ortega-Muro, Fatima; Alameda-Martin, Laura; Liu, Yingjun; Schipani, Alessandro; Davies, Geraint; Coates, Anthony

    2016-01-01

    Currently, the most effective tuberculosis control method involves case finding and 6 months of chemotherapy. There is a need to improve our understanding about drug interactions, combination activities, and the ability to remove persistent bacteria using the current regimens, particularly in relation to relapse. We aimed to investigate the therapeutic effects of three main components, rifampin (RMP), isoniazid (INH), and pyrazinamide (PZA), in current drug regimens using a modified version of the Cornell mouse model. We evaluated the posttreatment levels of persistent Mycobacterium tuberculosis in the organs of mice using culture filtrate derived from M. tuberculosis strain H37Rv. When RMP was combined with INH, PZA, or INH-PZA, significant additive activities were observed compared to each of the single-drug treatments. However, the combination of INH and PZA showed a less significant additive effect than either of the drugs used on their own. Apparent culture negativity of mouse organs was achieved at 14 weeks of treatment with RMP-INH, RMP-PZA, and RMP-INH-PZA, but not with INH-PZA, when conventional tests, namely, culture on solid agar and in liquid broth, indicated that the organs were negative for bacteria. The relapse rates for RMP-containing regimens were not significantly different from a 100% relapse rate at the numbers of mice examined in this study. In parallel, we examined the organs for the presence of culture filtrate-dependent persistent bacilli after 14 weeks of treatment. Culture filtrate treatment of the organs revealed persistent M. tuberculosis. Modeling of mycobacterial elimination rates and evaluation of culture filtrate-dependent organisms showed promise as surrogate methods for efficient factorial evaluation of drug combinations in tuberculosis in mouse models and should be further evaluated against relapse. The presence of culture filtrate-dependent persistent M. tuberculosis is the likely cause of disease relapse in this modified Cornell

  2. An Investigation of the Influence of Body Size and Indentation Asymmetry of the Effectiveness of Body Indentation in Combination with a Cambered Wing

    NASA Technical Reports Server (NTRS)

    Patterson, James C., Jr.; Loving, Donald L.

    1961-01-01

    An investigation has been made of a 450 sweptback cambered wing in combination with an unindented body and a body symmetrically indented with respect to its axes designed for a Mach number of 1.2. The ratio of body frontal area to wing planform area was 0.08 for these wing-body combinations. In order to determine the influence of body size on the effectiveness of indentation, the test data have been compared with previously obtained data for similar configurations having a ratio of body frontal area to wing planform area of 0.04. Also, in order to investigate the relative effectiveness of indentation asymmetry, a specially indented body designed to account for the wing camber and also designed for a Mach number of 1.2 has been included in these tests. The investigation was conducted in the Langley 8-Foot Tunnels Branch at Mach numbers from 0.80 to 1.43 and a Reynolds number of approximately 1.85 x 10(exp 6), based on a mean aerodynamic chord length of 5.955 inches. The data indicate that the configurations with larger ratio of body frontal area to wing planform area had smaller reductions in zero-lift wave drag associated with body indentation than the configurations with smaller ratio of body frontal area to wing planform area. The 0.08-area-ratio configurations also had correspondingly smaller increases in the values of maximum lift-drag ratio than the 0.04-area-ratio configurations. The consideration of wing camber in the body indentation design resulted in a 35.5-percent reduction in zero-lift wave drag, compared with a 21.5-percent reduction associated with the symmetrical indentation, but had a negligible effect on the values of maximum lift-drag ratio.

  3. Investigating the limitations of tree species classification using the Combined Cluster and Discriminant Analysis method for low density ALS data from a dense forest region in Aggtelek (Hungary)

    NASA Astrophysics Data System (ADS)

    Koma, Zsófia; Deák, Márton; Kovács, József; Székely, Balázs; Kelemen, Kristóf; Standovár, Tibor

    2016-04-01

    Airborne Laser Scanning (ALS) is a widely used technology for forestry classification applications. However, single tree detection and species classification from low density ALS point cloud is limited in a dense forest region. In this study we investigate the division of a forest into homogenous groups at stand level. The study area is located in the Aggtelek karst region (Northeast Hungary) with a complex relief topography. The ALS dataset contained only 4 discrete echoes (at 2-4 pt/m2 density) from the study area during leaf-on season. Ground-truth measurements about canopy closure and proportion of tree species cover are available for every 70 meter in 500 square meter circular plots. In the first step, ALS data were processed and geometrical and intensity based features were calculated into a 5×5 meter raster based grid. The derived features contained: basic statistics of relative height, canopy RMS, echo ratio, openness, pulse penetration ratio, basic statistics of radiometric feature. In the second step the data were investigated using Combined Cluster and Discriminant Analysis (CCDA, Kovács et al., 2014). The CCDA method first determines a basic grouping for the multiple circle shaped sampling locations using hierarchical clustering and then for the arising grouping possibilities a core cycle is executed comparing the goodness of the investigated groupings with random ones. Out of these comparisons difference values arise, yielding information about the optimal grouping out of the investigated ones. If sub-groups are then further investigated, one might even find homogeneous groups. We found that low density ALS data classification into homogeneous groups are highly dependent on canopy closure, and the proportion of the dominant tree species. The presented results show high potential using CCDA for determination of homogenous separable groups in LiDAR based tree species classification. Aggtelek Karst/Slovakian Karst Caves" (HUSK/1101/221/0180, Aggtelek NP

  4. An open-label clinical trial to investigate the efficacy and safety of corifollitropin alfa combined with hCG in adult men with hypogonadotropic hypogonadism.

    PubMed

    Nieschlag, Eberhard; Bouloux, Pierre-Marc G; Stegmann, Barbara J; Shankar, R Ravi; Guan, Yanfen; Tzontcheva, Anjela; McCrary Sisk, Christine; Behre, Hermann M

    2017-03-07

    Hypogonadotropic hypogonadism (HH) in men results in insufficient testicular function and deficiencies in testosterone and spermatogenesis. Combinations of human chorionic gonadotropin (hCG) and recombinant follicle-stimulating hormone (recFSH) have been successful in the treatment of HH. Corifollitropin alfa is a long-acting FSH-analog with demonstrated action in women seeking infertility care. The aim of this study was to investigate the efficacy and safety of corifollitropin alfa combined with hCG to increase testicular volume and induce spermatogenesis in men with HH. This was a Phase III, multi-center, open-label, single-arm trial of corifollitropin alfa in azoospermic men aged 18 to 50 years with HH. After 16 weeks of pretreatment of 23 subjects with hCG alone, 18 subjects with normalized testosterone (T) levels who remained azoospermic entered the 52-week combined treatment phase with hCG twice-weekly and 150 μg corifollitropin alfa every other week. The increase in testicular volume (primary efficacy endpoint) and induction of spermatogenesis resulting in a sperm count ≥1 × 10(6)/mL (key secondary efficacy endpoint) during 52 weeks of combined treatment were assessed. Safety was evaluated by the presence of anti-corifollitropin alfa antibodies and the occurrence of adverse events (AEs). Mean (±SD) testicular volume increased from 8.6 (±6.09) mL to 17.8 (±8.93) mL (geometric mean fold increase, 2.30 [95% CI: 2.03, 2.62]); 14 (77.8%) subjects reached a sperm count ≥1 × 10(6)/mL. No subject developed confirmed anti-corifollitropin alfa antibodies during the trial. Treatment was generally well tolerated. Corifollitropin alfa 150 μg administrated every other week combined with twice-weekly hCG for 52 weeks increased testicular volume significantly, and induced spermatogenesis in >75% of men with HH who had remained azoospermic after hCG treatment alone. ClinicalTrials.gov: NCT01709331 .

  5. Investigation on the neutral and anionic BxAlyH2 (x + y = 7, 8, 9) clusters using density functional theory combined with photoelectron spectroscopy.

    PubMed

    Ding, Li-Ping; Shao, Peng; Lu, Cheng; Zhang, Fang-Hui; Ding, Lei; Yuan, Tao Li

    2016-08-17

    The structure and bonding nature of neutral and negatively charged BxAlyH2 (x + y = 7, 8, 9) clusters are investigated with the aid of previously published experimental photoelectron spectra combined with the present density functional theory calculations. The comparison between the experimental photoelectron spectra and theoretical simulated spectra helps to identify the ground state structures. The accuracy of the obtained ground state structures is further verified by calculating their adiabatic electron affinities and vertical detachment energies and comparing them against available experimental data. The results show that the structures of BxAlyH2 transform from three-dimensional to planar structures as the number of boron atoms increases. Moreover, boron atoms tend to bind together forming Bn units. The hydrogen atoms prefer to bind with boron atoms rather than aluminum atoms. The analyses of the molecular orbital on the ground state structures further support the abovementioned results.

  6. Investigating the correlation between white matter and microvasculature changes in aging using large scale optical coherence tomography and confocal fluorescence imaging combined with tissue sectioning

    NASA Astrophysics Data System (ADS)

    Castonguay, Alexandre; Avti, Pramod K.; Moeini, Mohammad; Pouliot, Philippe; Tabatabaei, Maryam S.; Bélanger, Samuel; Lesage, Frédéric

    2015-03-01

    Here, we present a serial OCT/confocal scanner for histological study of the mouse brain. Three axis linear stages combined with a sectioning vibratome allows to cut thru the entire biological tissue and to image every section at a microscopic resolution. After acquisition, each OCT volume and confocal image is re-stitched with adjacent acquisitions to obtain a reconstructed, digital volume of the imaged tissue. This imaging platform was used to investigate correlations between white matter and microvasculature changes in aging mice. Three age groups were used in this study (4, 12, 24 months). At sacrifice, mice were transcardially perfused with a FITC containing gel. The dual imaging capability of the system allowed to reveal different contrast information: OCT imaging reveals changes in refractive indices giving contrast between white and grey matter in the mouse brain, while transcardial perfusion of a FITC shows microsvasculature in the brain with confocal imaging.

  7. Spectroscopic investigation on assisted sonocatalytic damage of bovine serum albumin (BSA) by metronidazole (MTZ) under ultrasonic irradiation combined with nano-sized ZnO

    NASA Astrophysics Data System (ADS)

    Gao, Jingqun; Liu, Bin; Wang, Jun; Jin, Xudong; Jiang, Renzheng; Liu, Lijun; Wang, Baoxin; Xu, Yongnan

    2010-11-01

    The previous work proved that the bovine serum albumin (BSA) could be damaged under the combined action of ultrasonic irradiation and ZnO. In this work, the assisted sonocatalytic damage of BSA using metronidazole (MTZ) as a sensitizer was further investigated by means of UV-vis and fluorescence spectra. The results indicated that the adding of MTZ could obviously promote the sonocatalytic damage of BSA under ultrasonic irradiation in the presence of nano-sized ZnO powder. Furthermore, it was found that the damage degree of BSA was aggravated by some influencing factors except ionic kind and strength. In addition, the damage site of BSA was also studied with synchronous fluorescence technology. It was found that the damage site was mainly at tryptophan (Trp) residue.

  8. Insight into the promiscuous activity of human carbonic anhydrase against the cyanic acid substrate from a combined QM and QM/MM investigation.

    PubMed

    Piazzetta, P; Marino, T; Russo, N

    2014-08-21

    The promiscuous activity of human carbonic anhydrase (hCAII) against a non-physiological cyanic acid substrate has been investigated by using a combined QM and QM/MM level of theory. Results show that the hCAII is able to hydrate the cyanic acid by a reaction mechanism similar to that of the CO2 native substrate. The energy barrier for the nucleophilic attack is found to be 15.6 and 4.3 kcal mol(-1) at QM and QM/MM levels, respectively. This result underlines the importance of taking into account the surrounding residues around the active site in the presence of the substrate having small molecular sizes. The carbamate is strongly stabilized with respect to the bicarbonate of the native substrate indicating a more difficult release of the reaction product.

  9. Spectroscopic investigation on assisted sonocatalytic damage of bovine serum albumin (BSA) by metronidazole (MTZ) under ultrasonic irradiation combined with nano-sized ZnO.

    PubMed

    Gao, Jingqun; Liu, Bin; Wang, Jun; Jin, Xudong; Jiang, Renzheng; Liu, Lijun; Wang, Baoxin; Xu, Yongnan

    2010-11-01

    The previous work proved that the bovine serum albumin (BSA) could be damaged under the combined action of ultrasonic irradiation and ZnO. In this work, the assisted sonocatalytic damage of BSA using metronidazole (MTZ) as a sensitizer was further investigated by means of UV-vis and fluorescence spectra. The results indicated that the adding of MTZ could obviously promote the sonocatalytic damage of BSA under ultrasonic irradiation in the presence of nano-sized ZnO powder. Furthermore, it was found that the damage degree of BSA was aggravated by some influencing factors except ionic kind and strength. In addition, the damage site of BSA was also studied with synchronous fluorescence technology. It was found that the damage site was mainly at tryptophan (Trp) residue. Copyright © 2010 Elsevier B.V. All rights reserved.

  10. Investigation of the Degradation Mechanisms of a Variety of Organic Photovoltaic Devices by Combination of Imaging Techniques—the ISOS-3Inter-laboratory Collaboration

    SciTech Connect

    Germack D.; Rosch, R.; Tanenbaum, D.M.; Jorgensen, M.; Seeland, M.; Barenklau, M.; Hermenau, M.; Voroshazi, E.; Lloyd, M.T.; Galagan, Y.; Zimmermann, B.; Wurfel, U.; Hosel, M.; Dam, H.F.; Gevorgyan, S.A.; Kudret, S.; Maes, W.; Lutsen, L.; Vanderzande, D.; Andriessen, R.; Teran-Escobar, G.; Lira-Cantu, M.; Rivaton, A.; Uzunoglu, G.Y.; Andreasen, B.; Madsen, M.V.; Norrman, K.; Hoppe, H.; Krebs, F.C.

    2012-04-01

    The investigation of degradation of seven distinct sets (with a number of individual cells of n {ge} 12) of state of the art organic photovoltaic devices prepared by leading research laboratories with a combination of imaging methods is reported. All devices have been shipped to and degraded at Risoe DTU up to 1830 hours in accordance with established ISOS-3 protocols under defined illumination conditions. Imaging of device function at different stages of degradation was performed by laser-beam induced current (LBIC) scanning; luminescence imaging, specifically photoluminescence (PLI) and electroluminescence (ELI); as well as by lock-in thermography (LIT). Each of the imaging techniques exhibits its specific advantages with respect to sensing certain degradation features, which will be compared and discussed here in detail. As a consequence, a combination of several imaging techniques yields very conclusive information about the degradation processes controlling device function. The large variety of device architectures in turn enables valuable progress in the proper interpretation of imaging results - hence revealing the benefits of this large scale cooperation in making a step forward in the understanding of organic solar cell aging and its interpretation by state-of-the-art imaging methods.

  11. Investigation of the Degradation Mechanisms of a Variety of Organic Photovoltaic Devices by Combination of Imaging Techniques - The ISOS-3 Inter-Laboratory Collaboration

    SciTech Connect

    Rosch, R.; Tanenbaum, D. M.; Jrgensen, M.; Seeland, M.; Barenklau, M.; Hermenau, M.; Voroshazi, E.; Lloyd, M. T.; Galagan, Y.; Zimmermann, B.; Wurfel, U.; Hosel, M.; Dam, H. F.; Gevorgyan, S. A.; Kudret, S.; Maes, W.; Lutsen, L.; Vanderzande, D.; Andriessen, R.; Teran-Escobar, G.

    2012-04-01

    The investigation of degradation of seven distinct sets (with a number of individual cells of n {>=} 12) of state of the art organic photovoltaic devices prepared by leading research laboratories with a combination of imaging methods is reported. All devices have been shipped to and degraded at Riso DTU up to 1830 hours in accordance with established ISOS-3 protocols under defined illumination conditions. Imaging of device function at different stages of degradation was performed by laser-beam induced current (LBIC) scanning; luminescence imaging, specifically photoluminescence (PLI) and electroluminescence (ELI); as well as by lock-in thermography (LIT). Each of the imaging techniques exhibits its specific advantages with respect to sensing certain degradation features, which will be compared and discussed here in detail. As a consequence, a combination of several imaging techniques yields very conclusive information about the degradation processes controlling device function. The large variety of device architectures in turn enables valuable progress in the proper interpretation of imaging results -- hence revealing the benefits of this large scale cooperation in making a step forward in the understanding of organic solar cell aging and its interpretation by state-of-the-art imaging methods.

  12. Investigation of subcellular localization and dynamics of membrane proteins in living bacteria by combining optical micromanipulation and high-resolution microscopy (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Barroso Peña, Álvaro; Nieves, Marcos; Teper, Konrad; Wedlich-Soldner, Roland; Denz, Cornelia

    2016-09-01

    The plasma membrane serves as protective interface between cells and their environment. It also constitutes a hub for selective nutrient uptake and signal transduction. Increasing evidence over the last years indicates that, similar to eukaryotic cells, lateral membrane organization plays an important role in the regulation of prokaryotic signaling pathways. However, the mechanisms underlying this phenomenon are still poorly understood. Spatiotemporal characterization of bacterial signal transduction demands very sensitive high-resolution microscopy techniques due to the low expression levels of most signaling proteins and the small size of bacterial cells. In addition, direct study of subcellular confinement and dynamics of bacterial signaling proteins during the different stages of the signal transduction also requires immobilization in order to avoid cell displacement caused by Brownian motion, local fluid flows and bacterial self-propulsion. In this work we present a novel approach based on the combination of high resolution imaging and optical manipulation that enables the investigation of the distribution and dynamics of proteins at the bacterial plasma membrane. For this purpose, we combine the versatility of holographic optical tweezers (HOT) with the sensitivity and resolution of total internal reflection fluorescence (TIRF) microscopy. Furthermore, we discuss the implementation of microfluidic devices in our integrated HOT+TIRF system for the control of growth conditions of bacterial cells. The capabilities of our workstation provides thus new valuable insights into the fundamental cellular and physical mechanisms underlying the regulation of bacterial signal transduction.

  13. Using the “target constituent removal combined with bioactivity assay” strategy to investigate the optimum arecoline content in charred areca nut

    PubMed Central

    Peng, Wei; Liu, Yu-Jie; Hu, Mei-Bian; Yan, Dan; Gao, Yong-Xiang; Wu, Chun-Jie

    2017-01-01

    Charred areca nut (CAN) is used to treat dyspepsia and abdominal distension in children. However, reports revealed that arecoline, the most important active constituent of CAN, possesses potential toxicities. This study was designed to investigate the optimum arecoline content in CAN, using the “target constituent removal combined with bioactivity assay” strategy. Based on PTLC method, we prepared CAN lacking all arecoline (WAC-100R) and a series of different ratios of arecoline-removed CAN samples (WAC-Rx). MTT and acute toxicity assays indicated that decreasing content by 50% decreased CAN toxicity significantly. Animal results revealed arecoline contents over 50% could guarantee the beneficial effects of CAN on gastrointestinal tract. Additionally, decreasing arecoline content in CAN by 50% decreased its pro-apoptotic effects significantly. Furthermore, decreasing 50% arecoline content in CAN down-regulated the expressions of Cleaved-Caspase-3, c-jun, c-fos, COX-2, PGE2, and IL-1α. Thus, our results revealed that CAN with 50% arecoline content (WAC-50R) has similar beneficial effects on the gastrointestinal tract to CAN, whereas its toxicity was decreased significantly. Collectively, our study suggested that the strategy of “target constituent removal combined with bioactivity assay” is a promising method to identify the optimum arecoline content in CAN, which is approximately 0.12%. PMID:28054652

  14. A Combination of Hand-held Models and Computer Imaging Programs Helps Students Answer Oral Questions about Molecular Structure and Function: A Controlled Investigation of Student Learning

    PubMed Central

    Peck, Ronald F.; Colton, Shannon; Morris, Jennifer; Chaibub Neto, Elias; Kallio, Julie

    2009-01-01

    We conducted a controlled investigation to examine whether a combination of computer imagery and tactile tools helps introductory cell biology laboratory undergraduate students better learn about protein structure/function relationships as compared with computer imagery alone. In all five laboratory sections, students used the molecular imaging program, Protein Explorer (PE). In the three experimental sections, three-dimensional physical models were made available to the students, in addition to PE. Student learning was assessed via oral and written research summaries and videotaped interviews. Differences between the experimental and control group students were not found in our typical course assessments such as research papers, but rather were revealed during one-on-one interviews with students at the end of the semester. A subset of students in the experimental group produced superior answers to some higher-order interview questions as compared with students in the control group. During the interview, students in both groups preferred to use either the hand-held models alone or in combination with the PE imaging program. Students typically did not use any tools when answering knowledge (lower-level thinking) questions, but when challenged with higher-level thinking questions, students in both the control and experimental groups elected to use the models. PMID:19255134

  15. Investigation of the combined effect of MgO and PEG on the release profile of mefenamic acid prepared via hot-melt extrusion techniques.

    PubMed

    Alshehri, Sultan M; Tiwari, Roshan V; Alsulays, Bader B; Ashour, Eman A; Alshetaili, Abdullah S; Almutairy, Bjad; Park, Jun-Bom; Morott, Joseph; Sandhu, Bhupinder; Majumdar, Soumyajit; Repka, Michael A

    2017-09-01

    This study aimed to investigate the combined effect of magnesium oxide (MgO) as an alkalizer and polyethylene glycol (PEG) as a plasticizer and wetting agent in the presence of Kollidon® 12 PF and 17 PF polymer carriers on the release profile of mefenamic acid (MA), which was prepared via hot-melt extrusion technique. Various drug loads of MA and various ratios of the polymers, PEG 3350 and MgO were blended using a V-shell blender and extruded using a twin-screw extruder (16-mm Prism EuroLab, ThermoFisher Scientific, Carlsbad, CA) at different screw speeds and temperatures to prepare a solid dispersion system. Differential scanning calorimetry and X-ray diffraction data of the extruded material confirmed that the drug existed in the amorphous form, as evidenced by the absence of corresponding peaks. MgO and PEG altered the micro-environmental pH to be more alkaline (pH 9) and increased the hydrophilicity and dispersibility of the extrudates to enhance MA solubility and release, respectively. The in vitro release study demonstrated an immediate release for 2 h with more than 80% drug release within 45 min in matrices containing MgO and PEG in combination with polyvinylpyrrolidone when compared to the binary mixture, physical mixture and pure drug.

  16. A combination of hand-held models and computer imaging programs helps students answer oral questions about molecular structure and function: a controlled investigation of student learning.

    PubMed

    Harris, Michelle A; Peck, Ronald F; Colton, Shannon; Morris, Jennifer; Chaibub Neto, Elias; Kallio, Julie

    2009-01-01

    We conducted a controlled investigation to examine whether a combination of computer imagery and tactile tools helps introductory cell biology laboratory undergraduate students better learn about protein structure/function relationships as compared with computer imagery alone. In all five laboratory sections, students used the molecular imaging program, Protein Explorer (PE). In the three experimental sections, three-dimensional physical models were made available to the students, in addition to PE. Student learning was assessed via oral and written research summaries and videotaped interviews. Differences between the experimental and control group students were not found in our typical course assessments such as research papers, but rather were revealed during one-on-one interviews with students at the end of the semester. A subset of students in the experimental group produced superior answers to some higher-order interview questions as compared with students in the control group. During the interview, students in both groups preferred to use either the hand-held models alone or in combination with the PE imaging program. Students typically did not use any tools when answering knowledge (lower-level thinking) questions, but when challenged with higher-level thinking questions, students in both the control and experimental groups elected to use the models.

  17. A New Animal Model for Investigation of Mechanical Unloading in Hypertrophic and Failing Hearts: Combination of Transverse Aortic Constriction and Heterotopic Heart Transplantation

    PubMed Central

    Stenzig, Justus; Biermann, Daniel; Jelinek, Marisa; Reichenspurner, Hermann; Eschenhagen, Thomas; Ehmke, Heimo; Schwoerer, Alexander P.

    2016-01-01

    Objectives Previous small animal models for simulation of mechanical unloading are solely performed in healthy or infarcted hearts, not representing the pathophysiology of hypertrophic and dilated hearts emerging in heart failure patients. In this article, we present a new and economic small animal model to investigate mechanical unloading in hypertrophic and failing hearts: the combination of transverse aortic constriction (TAC) and heterotopic heart transplantation (hHTx) in rats. Methods To induce cardiac hypertrophy and failure in rat hearts, three-week old rats underwent TAC procedure. Three and six weeks after TAC, hHTx with hypertrophic and failing hearts in Lewis rats was performed to induce mechanical unloading. After 14 days of mechanical unloading animals were euthanatized and grafts were explanted for further investigations. Results 50 TAC procedures were performed with a survival of 92% (46/50). When compared to healthy rats left ventricular surface decreased to 5.8±1.0 mm² (vs. 9.6± 2.4 mm²) (p = 0.001) after three weeks with a fractional shortening (FS) of 23.7± 4.3% vs. 28.2± 1.5% (p = 0.01). Six weeks later, systolic function decreased to 17.1± 3.2% vs. 28.2± 1.5% (p = 0.0001) and left ventricular inner surface increased to 19.9±1.1 mm² (p = 0.0001). Intraoperative graft survival during hHTx was 80% with 46 performed procedures (37/46). All transplanted organs survived two weeks of mechanical unloading. Discussion Combination of TAC and hHTx in rats offers an economic and reproducible small animal model enabling serial examination of mechanical unloading in a truly hypertrophic and failing heart, representing the typical pressure overloaded and dilated LV, occurring in patients with moderate to severe heart failure. PMID:26841021

  18. Investigating patterns and controls of groundwater up-welling in a lowland river by combining Fibre-optic Distributed Temperature Sensing with observations of vertical hydraulic gradients

    NASA Astrophysics Data System (ADS)

    Krause, S.; Blume, T.; Cassidy, N. J.

    2012-06-01

    This paper investigates the patterns and controls of aquifer-river exchange in a fast-flowing lowland river by the conjunctive use of streambed temperature anomalies identified with Fibre-optic Distributed Temperature Sensing (FO-DTS) and observations of vertical hydraulic gradients (VHG). FO-DTS temperature traces along this lowland river reach reveal discrete patterns with "cold spots" indicating groundwater up-welling. In contrast to previous studies using FO-DTS for investigation of groundwater-surface water exchange, the fibre-optic cable in this study was buried in the streambed sediments, ensuring clear signals despite fast flow and high discharges. During the observed summer baseflow period, streambed temperatures in groundwater up-welling locations were found to be up to 1.5 °C lower than ambient streambed temperatures. Due to the high river flows, the cold spots were sharp and distinctly localized without measurable impact on down-stream surface water temperature. VHG patterns along the stream reach were highly variable in space, revealing strong differences even at small scales. VHG patterns alone are indicators of both, structural heterogeneity of the stream bed as well as of the spatial heterogeneity of the groundwater-surface water exchange fluxes and are thus not conclusive in their interpretation. However, in combination with the high spatial resolution FO-DTS data we were able to separate these two influences and clearly identify locations of enhanced exchange, while also obtaining information on the complex small-scale streambed transmissivity patterns responsible for the very discrete exchange patterns. The validation of the combined VHG and FO-DTS approach provides an effective strategy for analysing drivers and controls of groundwater-surface water exchange, with implications for the quantification of biogeochemical cycling and contaminant transport at aquifer-river interfaces.

  19. Experimental investigation of the forces and moments due to sideslip of a series of triangular vertical and horizontal tail combinations at Mach numbers

    NASA Technical Reports Server (NTRS)

    Coletti, Donald E

    1954-01-01

    An experimental investigation was made at Mach numbers of 1.62, 1.93, and 2.41 of a series of tail combinations consisting of triangular vertical tail attached symmetrically to a triangular horizontal tail to determine the lateral force, yawing moment, and rolling moment due to sideslip. The apex angles of both the vertical- and horizontal-tail surfaces were varied systematically in order to obtain results for an appreciable range of operating conditions. The results of the investigation indicated that, for tails having subsonic leading edges and supersonic trailing edges, the lateral-force derivative and the yawing-moment derivative were predicted satisfactorily by the method presented in NACA TN 3071 except when the leading edges approach a sonic condition. The theoretical rolling-moment derivative was in fair agreement with the experimental derivative. For the limited tests in which both the leading and trailing edges were supersonic, the prediction of the lateral-force derivative and the yawing-moment derivative obtained from NACA TN 2412 was in good agreement with the experimental derivatives, whereas the prediction of the rolling-moment derivative was fair.

  20. Abnormal functional-structural cingulum connectivity in mania: combined functional magnetic resonance imaging-diffusion tensor imaging investigation in different phases of bipolar disorder.

    PubMed

    Martino, M; Magioncalda, P; Saiote, C; Conio, B; Escelsior, A; Rocchi, G; Piaggio, N; Marozzi, V; Huang, Z; Ferri, F; Amore, M; Inglese, M; Northoff, G

    2016-10-01

    The objective of the study was to investigate the relationship between structural connectivity (SC) and functional connectivity (FC) in the cingulum in bipolar disorder (BD) and its various phases. We combined resting-state functional magnetic resonance imaging and probabilistic tractographic diffusion tensor imaging to investigate FC and SC of the cingulum and its portions, the SC-FC relationship, and their correlations with clinical and neurocognitive measures on sustained attention in manic (n = 21), depressed (n = 20), and euthymic (n = 20) bipolar patients and healthy controls (HC) (n = 42). First, we found decreased FC between the anterior and posterior parts of the cingulum in manic patients when compared to depressed patients and HC. Second, we observed decreased SC of the cingulum bundle, particularly in its anterior part, in manic patients when compared to HC. Finally, alterations in the cingulum FC (but not SC) correlated with clinical severity scores while changes in the cingulum SC (but not FC) were related with neurocognitive deficits in sustained attention in BD. We demonstrate for the first time a reduction in FC and concomitantly in SC of the cingulum in mania, which correlated with psychopathological and neurocognitive parameters, respectively, in BD. This supports the central role of cingulum connectivity specifically in mania. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  1. Numerical Investigation of the Effect of C/O Mole Ratio on the Performance of Rotary Hearth Furnace Using a Combined Model

    NASA Astrophysics Data System (ADS)

    Liu, Ying; Wen, Zhi; Lou, Guofeng; Li, Zhi; Yong, Haiquan; Feng, Xiaohong

    2014-12-01

    In a rotary hearth furnace (RHF) the direct reduction of composite pellets and processes of heat and mass transfer as well as combustion in the chamber of RHF influence each other. These mutual interactions should be considered when an accurate model of RHF is established. This paper provides a combined model that incorporates two sub-models to investigate the effects of C/O mole ratio in the feed pellets on the reduction kinetics and heat and mass transfer as well as combustion processes in the chamber of a pilot-scale RHF. One of the sub-models is established to describe the direct reduction process of composite pellets on the hearth of RHF. Heat and mass transfer within the pellet, chemical reactions, and radiative heat transfer from furnace walls and combustion gas to the surface of the pellet are considered in the model. The other sub-model is used to simulate gas flow and combustion process in the chamber of RHF by using commercial CFD software, FLUENT. The two sub-models were linked through boundary conditions and heat, mass sources. Cases for pellets with different C/O mole ratio were calculated by the combined model. The calculation results showed that the degree of metallization, the total amounts of carbon monoxide escaping from the pellet, and heat absorbed by chemical reactions within the pellet as well as CO and CO2 concentrations in the furnace increase with the increase of C/O mole ratio ranging from 0.6 to 1.0, when calculation conditions are the same except for C/O molar ratio. Carbon content in the pellet has little influence on temperature distribution in the furnace under the same calculation conditions except for C/O mole ratio in the feed pellets.

  2. Vaginal bleeding in postmenopausal women taking low-dose norethindrone acetate and ethinyl estradiol combinations. The FemHRT Study Investigators.

    PubMed

    Symons, J; Kempfert, N; Speroff, L

    2000-09-01

    hormone replacement therapy regimens is influenced at least in part by vaginal bleeding, the combined norethindrone acetate/ethinyl E2 regimen investigated in these studies may provide a treatment option.

  3. Combined Treatment of Large Hepatocellular Carcinoma with Transcatheter Arterial Chemoembolization and Percutaneous Ethanol Injection with a Multipronged Needle: Experimental and Clinical Investigation

    SciTech Connect

    Kawamura, Rinako; Seki, Toshihito Umehara, Hideto; Ikeda, Kozo; Inokuchi, Ryosuke; Asayama, Toshiki; Yamaguchi, Takashi; Takahashi, Yu; Sakao, Masayuki; Lencioni, Riccardo; Okazaki, Kazuichi

    2012-04-15

    Purpose: This study was designed to evaluate the usefulness of percutaneous ethanol injection (PEI) with a multipronged needle for the treatment of large hepatocellular carcinoma (HCC). An experimental animal study and a clinical investigation were performed. Methods: In the experimental study, 20 ml of 99.5% ethanol was injected into porcine liver in vivo with a multipronged needle (n = 5) or a straight needle (n = 5), and the volumes of coagulation necrosis were compared. In the clinical investigation, PEI was performed in 17 patients (10 men, 7 women; mean age 73.4 {+-} 6.7 years) with single, large HCC (mean tumor diameter, 47.2 {+-} 11.5 mm; range, 32-70 mm) by using a multipronged needle. Fifteen of 17 patients received transarterial chemoembolization (TACE) before PEI. Results: The volume of coagulation in porcine liver in vivo was significantly increased with the multipronged needle compared with the straight needle (longest perpendicular diameters, 34.2 {+-} 3.6 mm Multiplication-Sign 30.2 {+-} 3.6 mm vs. 22.6 {+-} 2.5 mm Multiplication-Sign 19 {+-} 2.2 mm, respectively; P < 0.05). In the clinical trial, initial complete response (CR) of the tumor was achieved in 17 of 17 patients, 7 of whom required two PEI sessions. During the follow-up, local recurrence was detected in 4 of 17 patients at 3-19 months after the procedure, for a rate of sustained local CR of 76%. No major complication occurred. Conclusions: Use of a multipronged needle substantially increases the volume of coagulation in vivo with respect to the conventional PEI technique. Combined TACE and PEI with multipronged needles is a safe and effective option for percutaneous treatment of single, large HCC.

  4. Investigating patterns and controls of groundwater up-welling in a lowland river by combining fibre-optic distributed temperature sensing with observations of vertical head gradients

    NASA Astrophysics Data System (ADS)

    Krause, S.; Blume, T.; Cassidy, N. J.

    2012-01-01

    This paper investigates the patterns and controls of aquifer-river exchange in a fast-flowing lowland river by the conjunctive use of streambed temperature anomalies identified with Fibre-optic Distributed Temperature Sensed (FO-DTS) and observations of vertical hydraulic gradients (VHG). FO-DTS temperature traces along this lowland river reach reveal discrete patterns with "cold spots" indicating groundwater up-welling. In contrast to previous studies using FO-DTS for investigation of groundwater-surface water exchange, the fibre-optic cable in this study was buried in the streambed sediments, ensuring clear signals despite fast flow and high discharges. During the observed summer baseflow period, streambed temperatures in groundwater up-welling locations were found to be up to 1.5 °C lower than ambient streambed temperatures. Due to the high river flows the cold spots were sharp and distinctly localized without measurable impact on downstream surface water temperature. VHG patterns along the stream reach were highly variable in space, revealing strong differences even at small scales. VHG patterns alone are indicators of both, structural heterogeneity of the stream bed as well as of the spatial heterogeneity of the groundwater-surface water exchange fluxes and are thus not conclusive in their interpretation. However, in combination with the high spatial resolution DTS data we were able to separate these two influences and clearly identify locations of enhanced exchange, while also obtaining information on the complex small-scale streambed transmissivity patterns responsible for the very discrete exchange patterns.

  5. Terbinafine in combination with other antifungal agents for treatment of resistant or refractory mycoses: investigating optimal dosing regimens using a physiologically based pharmacokinetic model.

    PubMed

    Dolton, Michael J; Perera, Vidya; Pont, Lisa G; McLachlan, Andrew J

    2014-01-01

    Terbinafine is increasingly used in combination with other antifungal agents to treat resistant or refractory mycoses due to synergistic in vitro antifungal activity; high doses are commonly used, but limited data are available on systemic exposure, and no assessment of pharmacodynamic target attainment has been made. Using a physiologically based pharmacokinetic (PBPK) model for terbinafine, this study aimed to predict total and unbound terbinafine concentrations in plasma with a range of high-dose regimens and also calculate predicted pharmacodynamic parameters for terbinafine. Predicted terbinafine concentrations accumulated significantly during the first 28 days of treatment; the area under the concentration-time curve (AUC)/MIC ratios and AUC for the free, unbound fraction (fAUC)/MIC ratios increased by 54 to 62% on day 7 of treatment and by 80 to 92% on day 28 compared to day 1, depending on the dose regimen. Of the high-dose regimens investigated, 500 mg of terbinafine taken every 12 h provided the highest systemic exposure; on day 7 of treatment, the predicted AUC, maximum concentration (Cmax), and minimum concentration (Cmin) were approximately 4-fold, 1.9-fold, and 4.4-fold higher than with a standard-dose regimen of 250 mg once daily. Close agreement was seen between the concentrations predicted by the PBPK model and the observed concentrations, indicating good predictive performance. This study provides the first report of predicted terbinafine exposure in plasma with a range of high-dose regimens.

  6. Primary combination of phase-field and discrete dislocation dynamics methods for investigating athermal plastic deformation in various realistic Ni-base single crystal superalloy microstructures

    NASA Astrophysics Data System (ADS)

    Gao, Siwen; Rajendran, Mohan Kumar; Fivel, Marc; Ma, Anxin; Shchyglo, Oleg; Hartmaier, Alexander; Steinbach, Ingo

    2015-10-01

    Three-dimensional discrete dislocation dynamics (DDD) simulations in combination with the phase-field method are performed to investigate the influence of different realistic Ni-base single crystal superalloy microstructures with the same volume fraction of {γ\\prime} precipitates on plastic deformation at room temperature. The phase-field method is used to generate realistic microstructures as the boundary conditions for DDD simulations in which a constant high uniaxial tensile load is applied along different crystallographic directions. In addition, the lattice mismatch between the γ and {γ\\prime} phases is taken into account as a source of internal stresses. Due to the high antiphase boundary energy and the rare formation of superdislocations, precipitate cutting is not observed in the present simulations. Therefore, the plastic deformation is mainly caused by dislocation motion in γ matrix channels. From a comparison of the macroscopic mechanical response and the dislocation evolution for different microstructures in each loading direction, we found that, for a given {γ\\prime} phase volume fraction, the optimal microstructure should possess narrow and homogeneous γ matrix channels.

  7. Epithelial glycoprotein-2 expression is subject to regulatory processes in epithelial-mesenchymal transitions during metastases: an investigation of human cancers transplanted into severe combined immunodeficient mice.

    PubMed

    Jojović, M; Adam, E; Zangemeister-Wittke, U; Schumacher, U

    1998-10-01

    The human cell-surface antigen epithelial glycoprotein-2 recognized by the monoclonal antibody MOC-31 is an epithelial tumour-associated glycoprotein expressed in non-squamous carcinomas. MOC-31 immunoreactivity was investigated in human breast, colon, ovarian and lung cancer cell lines, grown either in vitro or in severe combined immunodeficient (SCID) mice as solid tumours and/or metastases. Three of four small-cell lung cancer cell lines (NCI-H69, OH3 and SW2) and three of four ovarian cancer cell lines (SoTu 1, 3 and 4) expressed epithelial glycoprotein-2. In contrast, all three breast (MCF-7, BT20, T47D) and all three colon (HT29, CACO2, SW480) cancer cell lines strongly reacted with monoclonal antibody MOC-31. A notable difference in MOC-31 immunoreactivity was observed in spontaneously formed lung metastases of HT29 colon cancer cells. Whereas larger metastases (> 30 cells) reacted with a similar staining pattern to the primary tumour, smaller metastases did not. These findings indicate that differentiation processes during the epithelial-mesenchymal transition occur in metastases, which lead to a transient loss of epithelial glycoprotein-2 expression during the migratory and early post-migratory period. This loss of antigen expression indicates that the process of metastases formation is a regulatory event, and this transient loss of antigen expression might represent a potential obstacle to antibody-based therapy in the setting of minimal residual disease.

  8. Combined effects of reduced malaxation oxygen levels and storage time on extra-virgin olive oil volatiles investigated by a novel chemometric approach.

    PubMed

    Raffo, Antonio; Bucci, Remo; D'Aloise, Antonio; Pastore, Gianni

    2015-09-01

    Combined effects of oxygen level reduction in the malaxation headspace and storage time up to 6 months on the volatile composition of a monovarietal extra-virgin olive oil (EVOO), obtained from cv. Carboncella olives, were investigated by applying a full factorial design approach (4 oxygen levels × 4 storage times) on EVOOs extracted on an industrial scale in two mills, equipped with "two-phase" and "three-phase" centrifugation systems, respectively. The outcoming data were analysed by the chemometric technique called ANOVA-simultaneous component analysis (ASCA). Both reduction of oxygen malaxation levels and storage time significantly affected the volatile profile of the extracted EVOOs. Reduction of oxygen malaxation levels hindered the formation of lipoxygenase derived volatiles (hexanal, 1-hexanol, (Z)-2-hexenal, (E)-2-hexen-1-ol, (Z)-2-penten-1-ol, 2,4-hexadienals), whereas prolonged storage times were associated with increased levels of autoxidation products (octane, hexanal, C10 hydrocarbons) and other compounds that could originate from exogenous microbial activity (1-octen-3-ol, 6-methyl-5-hepten-2-one, benzaldehyde, methyl salicylate).

  9. Super-cooled liquid water topped sub-arctic clouds and precipitation - investigation based on combination of ground-based in-situ and remote-sensing observations

    NASA Astrophysics Data System (ADS)

    Hirsikko, Anne; Brus, David; O'Connor, Ewan J.; Filioglou, Maria; Komppula, Mika; Romakkaniemi, Sami

    2017-04-01

    In the high and mid latitudes super-cooled liquid water layers are frequently observed on top of clouds. These layers are difficult to forecast with numerical weather prediction models, even though, they have strong influence on atmospheric radiative properties, cloud microphysical properties, and subsequently, precipitation. This work investigates properties of super-cooled liquid water layer topped sub-arctic clouds and precipitation observed with ground-based in-situ (cloud probes) and remote-sensing (a cloud radar, Doppler and multi-wavelength lidars) instrumentation during two-month long Pallas Cloud Experiment (PaCE 2015) in autumn 2015. Analysis is based on standard Cloudnet scheme supplemented with new retrieval products of the specific clouds and their properties. Combination of two scales of observation provides new information on properties of clouds and precipitation in the sub-arctic Pallas region. Current status of results will be presented during the conference. The authors acknowledge financial support by the Academy of Finland (Centre of Excellence Programme, grant no 272041; and ICINA project, grant no 285068), the ACTRIS2 - European Union's Horizon 2020 research and innovation programme under grant agreement No 654109, the KONE foundation, and the EU FP7 project BACCHUS (grant no 603445).

  10. Metabolic Effects of a 24-Week Energy-Restricted Intervention Combined with Low or High Dairy Intake in Overweight Women: An NMR-Based Metabolomics Investigation

    PubMed Central

    Zheng, Hong; Lorenzen, Janne K.; Astrup, Arne; Larsen, Lesli H.; Yde, Christian C.; Clausen, Morten R.; Bertram, Hanne Christine

    2016-01-01

    We investigated the effect of a 24-week energy-restricted intervention with low or high dairy intake (LD or HD) on the metabolic profiles of urine, blood and feces in overweight/obese women by NMR spectroscopy combined with ANOVA-simultaneous component analysis (ASCA). A significant effect of dairy intake was found on the urine metabolome. HD intake increased urinary citrate, creatinine and urea excretion, and decreased urinary excretion of trimethylamine-N-oxide (TMAO) and hippurate relative to the LD intake, suggesting that HD intake was associated with alterations in protein catabolism, energy metabolism and gut microbial activity. In addition, a significant time effect on the blood metabolome was attributed to a decrease in blood lipid and lipoprotein levels due to the energy restriction. For the fecal metabolome, a trend for a diet effect was found and a series of metabolites, such as acetate, butyrate, propionate, malonate, cholesterol and glycerol tended to be affected. Overall, even though these effects were not accompanied by a higher weight loss, the present metabolomics data reveal that a high dairy intake is associated with endogenous metabolic effects and effects on gut microbial activity that potentially impact body weight regulation and health. Moreover, ASCA has a great potential for exploring the effect of intervention factors and identifying altered metabolites in a multi-factorial metabolomic study. PMID:26907339

  11. Investigating the dynamic aspects of drug-protein recognition through a combination of MD and NMR analyses: implications for the development of protein-protein interaction inhibitors.

    PubMed

    Meli, Massimiliano; Pagano, Katiuscia; Ragona, Laura; Colombo, Giorgio

    2014-01-01

    In this paper, we investigate the dynamic aspects of the molecular recognition between a small molecule ligand and a flat, exposed protein surface, representing a typical target in the development of protein-protein interaction inhibitors. Specifically, we analyze the complex between the protein Fibroblast Growth Factor 2 (FGF2) and a recently discovered small molecule inhibitor, labeled sm27 for which the binding site and the residues mainly involved in small molecule recognition have been previously characterized. We have approached this problem using microsecond MD simulations and NMR-based characterizations of the dynamics of the apo and holo states of the system. Using direct combination and cross-validation of the results of the two techniques, we select the set of conformational states that best recapitulate the principal dynamic and structural properties of the complex. We then use this information to generate a multi-structure representation of the sm27-FGF2 interaction. We propose this kind of representation and approach as a useful tool in particular for the characterization of systems where the mutual dynamic influence between the interacting partners is expected to play an important role. The results presented can also be used to generate new rules for the rational expansion of the chemical diversity space of FGF2 inhibitors.

  12. Local atomic structure of chromium bearing precipitates in chromia doped uranium dioxide investigated by combined micro-beam X-ray diffraction and absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Kuri, G.; Mieszczynski, C.; Martin, M.; Bertsch, J.; Borca, C. N.; Delafoy, Ch.

    2014-06-01

    Experimental studies have evidenced the presence of some chromium oxide precipitates in chromia (Cr2O3) doped UO2 fuels, currently being used in many light water reactors. The main objective of this study was to analyze the atomic scale microstructure of these precipitates in a non-destructive way employing modern synchrotron-based X-ray radiation. To investigate UO2 microstructures and chemical compositions of the precipitates an industrial grade fresh Cr2O3-doped UO2 pellet (produced with an initial amount of 0.16 wt.% Cr2O3 powder) was examined using scanning electron microscopy (SEM) and electron probe micro analysis (EPMA). Average grain diameter of the UO2 matrix was measured by SEM image analysis method. Precipitates were detected by EPMA. For all precipitates of micrometer scale analyzed by EPMA the composition was determined to be very close to Cr2O3. The structural property and the next neighbor Cr atomic environment in these precipitates were studied by a combination of more sensitive tools such as micro-focused X-ray diffraction (μ-XRD) and absorption spectroscopy (μ-XAS). According to the XRD data, the chromia precipitates contain structural disorder and have a somewhat distorted lattice structure as compared to that of standard and crystalline α-Cr2O3 hexagonal crystal unit cell. The μ-XAS results provide insight into the local atomic environment of chromium including the oxidation state assignment.

  13. Metabolic Effects of a 24-Week Energy-Restricted Intervention Combined with Low or High Dairy Intake in Overweight Women: An NMR-Based Metabolomics Investigation.

    PubMed

    Zheng, Hong; Lorenzen, Janne K; Astrup, Arne; Larsen, Lesli H; Yde, Christian C; Clausen, Morten R; Bertram, Hanne Christine

    2016-02-23

    We investigated the effect of a 24-week energy-restricted intervention with low or high dairy intake (LD or HD) on the metabolic profiles of urine, blood and feces in overweight/obese women by NMR spectroscopy combined with ANOVA-simultaneous component analysis (ASCA). A significant effect of dairy intake was found on the urine metabolome. HD intake increased urinary citrate, creatinine and urea excretion, and decreased urinary excretion of trimethylamine-N-oxide (TMAO) and hippurate relative to the LD intake, suggesting that HD intake was associated with alterations in protein catabolism, energy metabolism and gut microbial activity. In addition, a significant time effect on the blood metabolome was attributed to a decrease in blood lipid and lipoprotein levels due to the energy restriction. For the fecal metabolome, a trend for a diet effect was found and a series of metabolites, such as acetate, butyrate, propionate, malonate, cholesterol and glycerol tended to be affected. Overall, even though these effects were not accompanied by a higher weight loss, the present metabolomics data reveal that a high dairy intake is associated with endogenous metabolic effects and effects on gut microbial activity that potentially impact body weight regulation and health. Moreover, ASCA has a great potential for exploring the effect of intervention factors and identifying altered metabolites in a multi-factorial metabolomic study.

  14. Investigation by response surface methodology of the combined effect of pH and composition of water-methanol mixtures on the stability of curcuminoids.

    PubMed

    D'Archivio, Angelo Antonio; Maggi, Maria Anna

    2017-03-15

    Response surface methodology, coupled to a full factorial three-level experimental design, was applied to investigate the combined influence of pH (between 7.0 and 8.6) and composition of methanol-water mixtures (between 30 and 70% v/v of methanol content) on the stability of curcumin and its analogues demethoxycurcumin and bisdemethoxycurcumin. The response plots revealed that addition of methanol noticeably improved the stability of curcuminoids, this effect being both pH- and structure-dependent. In the central point of the experimental domain, half-life times of curcumin, demethoxycurcumin and bisdemethoxycurcumin were 3.8±0.2, 27±2 and 251±17h, respectively. Stability of curcuminoids increased at lower pH and higher methanol content and decreased in the opposite vertex of the experimental domain. These results can be interpreted by assuming that addition of methanol to water produces a different variation of pH of the medium and apparent pKa values of the ionisable groups of curcuminoids.

  15. Experimental Investigation of Effects of Moderate Sideslip on the Flow Fields near a 45 Degree Swept-wing-fuselage Combination at Low Speed

    NASA Technical Reports Server (NTRS)

    Alford, William J , Jr; King, Thomas J , Jr

    1957-01-01

    The flow fields near a 45 degree swept-wing-fuselage combination at moderate angles of sideslip (plus-or-minus 8 degrees), as determined experimentally at low speed, are presented as variations with chordwise distance for various spanwise and vertical locations and angles of attack. The results indicated that for positions close to the fuselage (on and near the plane of symmetry) changes in the angle of sideslip caused large changes in the flow-field characteristics and particularly in the local angles of sideslip, which in some cases were nearly double the static angle of sideslip. In general, the effects of changing the angle of sideslip on the flow-field characteristics for all of the outboard underwing locations were qualitatively similar, although conditions at the more inboard and outboard locations were somewhat more severe for lifting conditions than at the one-half semispan location. The chordwise gradients in the flow parameters for the underwing locations were more severe than for the fuselage locations although the effect of changing the angle of sideslip was less severe, in that the incremental changes in the local angles of sideslip were approximately equal to the static angle of sideslip. Flow conditions near the wing tip were found to be critically dependent on vertical location, with the largest sideslip-induced variations occurring at the nearest vertical locations. The results also indicated that for the outboard underwing locations the wing was the predominant factor in disturbing the field of flow for the conditions investigated.

  16. Investigation of the effects of a thin dielectric layer on low-pressure hydrogen capacitive discharges driven by combined radio frequency and pulse power sources

    SciTech Connect

    Sun, Jizhong; Fan, Yu; Zou, Ying; Wang, Dezhen; Stirner, Thomas

    2013-11-15

    Negative hydrogen ion sources, for instance for fusion devices, currently attract considerable attention. To generate the precursors—highly rovibrationally excited hydrogen molecules—for negative hydrogen ions effectively by electron excitation, a thin dielectric layer is introduced to cover the surface of the electrically grounded electrode of two parallel metal plates in a low-pressure hydrogen capacitive discharge driven by combined rf and pulse power sources. To understand the characteristics of such discharges, particle-in-cell simulations are conducted to study the effects that the single dielectric layer would bring onto the discharges. The simulation results show that the dielectric layer leads to a much higher plasma density and a much larger production rate of highly vibrationally excited hydrogen molecules compared to discharges without the dielectric layer on the electrode. Further investigation indicates that the nonlinear oscillation of the electrons induced by the nanosecond-pulse continues until it is finally damped down and does not show any dependence on the pulse plateau-time, which is in stark contrast to the case without the dielectric layer present. The physical reason for this phenomenon is explored and explained.

  17. Development of enteric-coated fixed dose combinations of amorphous solid dispersions of ezetimibe and lovastatin: Investigation of formulation and process parameters.

    PubMed

    Riekes, Manoela K; Dereymaker, Aswin; Berben, Philippe; Augustijns, Patrick; Stulzer, Hellen K; Van den Mooter, Guy

    2017-03-30

    Enteric-coated fixed-dose combinations of ezetimibe and lovastatin were prepared by fluid bed coating aiming to avoid the acidic conversion of lovastatin to its hydroxyacid derivative. In a two-step process, sucrose beads were layered with a glass solution of ezetimibe, lovastatin and Soluplus(®), top-coated with an enteric layer. The impact of different bead size, enteric polymers (Eudragit L100(®) and Eudragit L100-55(®)) and coating time was investigated. Samples were evaluated by X-ray diffraction, scanning electron microscopy, laser diffraction and in vitro studies in 0.1M HCl and phosphate buffer pH 6.8. Results showed that smaller beads tend to agglomerate and release was jeopardized in acidic conditions, most likely due to irregular coating layer. Eudragit L100-55(®) required longer processing, but thinner coating layers provided lower drug release. Both polymers showed low drug release in acidic environment and fast release at pH 6.8. The off-line measurement of the coating thickness determined the ideal coating time as 15 and 30min for Eudragit L100-55(®) and Eudragit L100(®)-based samples, respectively. Both compounds were molecularly dispersed in Soluplus(®), and Eudragit L100(®) formulations showed concave pores on the surface, presenting higher drug release in acidic conditions. Stability studies after 6 months showed unaltered physical properties and drug release.

  18. Testing the limits of sensitivity in a solid-state structural investigation by combined X-ray powder diffraction, solid-state NMR, and molecular modelling.

    PubMed

    Filip, Xenia; Borodi, Gheorghe; Filip, Claudiu

    2011-10-28

    A solid state structural investigation of ethoxzolamide is performed on microcrystalline powder by using a multi-technique approach that combines X-ray powder diffraction (XRPD) data analysis based on direct space methods with information from (13)C((15)N) solid-state Nuclear Magnetic Resonance (SS-NMR) and molecular modeling. Quantum chemical computations of the crystal were employed for geometry optimization and chemical shift calculations based on the Gauge Including Projector Augmented-Wave (GIPAW) method, whereas a systematic search in the conformational space was performed on the isolated molecule using a molecular mechanics (MM) approach. The applied methodology proved useful for: (i) removing ambiguities in the XRPD crystal structure determination process and further refining the derived structure solutions, and (ii) getting important insights into the relationship between the complex network of non-covalent interactions and the induced supra-molecular architectures/crystal packing patterns. It was found that ethoxzolamide provides an ideal case study for testing the accuracy with which this methodology allows to distinguish between various structural features emerging from the analysis of the powder diffraction data.

  19. Investigation of the effect of nanoparticle exposure on the flocculability of activated sludge using particle image velocimetry in combination with the extended DLVO analysis.

    PubMed

    Xu, J; Li, X Y

    2016-07-01

    With the application of nanotechnologies, nanoparticles (NPs) may enter the wastewater collection system, threatening the operation and stability of the treatment process. The present study investigated the effect of short-term exposures of activated sludge (AS) to NPs on the sludge flocculation ability. Three types of NPs, ZnO, TiO2 and SiO2, were used at a concentration level of 100mg/L for the 24-h exposure, and the particle image velocimetry (PIV) technology was employed to track the sludge flocculation dynamics during the tests. The results showed that a short-term exposure of the AS to NPs did not cause deterioration of the sludge in treatment performance and flocculation. According to the PIV detections, the flocculability of the AS actually was enhanced to some extent after the short-term NPs exposure. Flocs formed after the NPs exposure became more fractal with an elongated shape and a rougher surface, as a result of the improved cell attachment. The extended DLVO theory in combination with the thermodynamic analysis can be well applied to describe the enhanced AS flocculation after the NPs exposure. It is apparent that the attachment of NPs onto cells and flocs can effectively reduce the interaction energy barriers, leading to their improved flocculation ability. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Toward the microscopic identification of anions and cations at the ionic liquid|Ag(111) interface: a combined experimental and theoretical investigation.

    PubMed

    Buchner, Florian; Forster-Tonigold, Katrin; Uhl, Benedikt; Alwast, Dorothea; Wagner, Nadja; Farkhondeh, Hanieh; Gross, Axel; Behm, R Jürgen

    2013-09-24

    The interaction between an adsorbed 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, [BMP][TFSA], ionic liquid (IL) layer and a Ag(111) substrate, under ultrahigh-vacuum conditions, was investigated in a combined experimental and theoretical approach, by high-resolution scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and dispersion-corrected density functional theory calculations (DFT-D). Most importantly, we succeeded in unambiguously identifying cations and anions in the adlayer by comparing experimental images with submolecular resolution and simulated STM images based on DFT calculations, and these findings are in perfect agreement with the 1:1 ratio of anions and cations adsorbed on the metal derived from XPS measurements. Different adlayer phases include a mobile 2D liquid phase at room temperature and two 2D solid phases at around 100 K, i.e., a 2D glass phase with short-range order and some residual, but very limited mobility and a long-range ordered 2D crystalline phase. The mobility in the different adlayer phases, including melting of the 2D crystalline phase, was evaluated by dynamic STM imaging. The DFT-D calculations show that the interaction with the substrate is composed of mainly van der Waals and weak electrostatic (dipole-induced dipole) interactions and that upon adsorption most of the charge remains at the IL, leading to attractive electrostatic interactions between the adsorbed species.

  1. Measuring erosion rates of contaminated cohesive sediments using laboratory and in-situ devices in combination: experiences of investigations in River Elbe and Saale

    NASA Astrophysics Data System (ADS)

    Noack, Markus; Gerbersdorf, Sabine; Hillebrand, Gudrun; Kasimir, Petra; Wieprecht, Silke

    2014-05-01

    Deposition of contaminated sediments in areas of no or low flow velocity such as groyne fields or impounded river stretches represent a significant thread to water quality if long-deposited sediments are remobilized during flood and storm events. In contrast to non-cohesive sediments the dynamics of cohesive sediments is not fully understood mainly because of multiple physico-chemical factors and variable biological influence. Hence, site-specific investigations are required to develop water management strategies as well as modelling approaches to predict the dynamic behavior of cohesive material. The Institute for Modelling Hydraulic and Environmental Systems (IWS, University of Stuttgart) has a strong experience in developing measuring strategies and techniques to deal with the complex interactions between biological and sedimentary characteristics regarding erosion and remobilization of cohesive material. Specifically, the detection of critical shear stresses for incipient motion of cohesive particles has been realized for both one laboratory device (SETEG) and an in-situ device. For site-specific investigations ideally both methods should be combined. The first method (SETEG) includes the on-site extraction of sediment cores allowing for depth-dependent analysis under controlled laboratory conditions, while the second one measures the surface only but reduces possible artifacts due to sediment withdrawal and transport. Both methods were applied at groyne fields and deposition areas of the River Elbe and River Saale, which are both heavily affected by pollution of anthropogenic contaminants mainly originating from the release of chemical industry before 1990. Next to the detection of critical shear stresses and erosion rates, further sedimentary attributes are analyzed such as particle size distribution, water content and density as well as biological attributes such as TOC and microbial mass. The analyses of the sediment cores result in vertical profiles for

  2. Identification and characterization of hydrothermally altered zones in granite by combining synthetic clay content logs with magnetic mineralogical investigations of drilled rock cuttings

    NASA Astrophysics Data System (ADS)

    Meller, Carola; Kontny, Agnes; Kohl, Thomas

    2014-10-01

    . Low magnetic susceptibility can also be attributed to primary low magnetite content, if the granite facies changes. In order to interpret magnetic susceptibility from cuttings, contaminations with iron from wear debris of the drilling tools must be eliminated. Provided that the magnetic mineralogy of the granite is known in detail, this method in combination with petrographic investigations is suited to indicate and characterize hydrothermal alteration and the appearance of clay.

  3. Transonic Wind Tunnel Modernization for Experimental Investigation of Dynamic Stall in a Wide Range of Mach Numbers by Plasma Actuators with Combined Energy/Momentum Action

    DTIC Science & Technology

    2015-01-02

    Stall in a Wide Range of Mach Numbers by Plasma Actuators with Combined Energy/ Momentum Action The views, opinions and/or findings contained in this...Plasma Actuators with Combined Energy/ Momentum Action Report Title This equipment grant supported the design and construction of a subsonic variable speed...Actuators with Combined Energy/ Momentum Action FINAL REPORT ARO DURIP Grant No. W911NF-13-1-0328 Start Date: 09/01/2013 PRINCIPAL

  4. Experimental Investigation of Mechanical Behavior of an Oxide/Oxide Ceramic Composite in Interlaminar Shear and under Combined Tension-Torsion Loading

    DTIC Science & Technology

    2014-03-27

    SHEAR AND UNDER COMBINED TENSION- TORSION LOADING THESIS Skyler R. Hilburn, Captain, USAF AFIT-ENY-14-M-26 DEPARTMENT OF THE AIR...OXIDE/OXIDE CERAMIC COMPOSITE IN INTERLAMINAR SHEAR AND UNDER COMBINED TENSION- TORSION LOADING THESIS Presented to the Faculty Department of...MECHNICAL BEHAVIOR OF AN OXIDE/OXIDE CERAMIC COMPOSITE IN INTERLAMINAR SHEAR AND UNDER COMBINED TENSION- TORSION LOADING Skyler R. Hilburn

  5. Combining stable isotopes with contamination indicators: A method for improved investigation of nitrate sources and dynamics in aquifers with mixed nitrogen inputs.

    PubMed

    Minet, E P; Goodhue, R; Meier-Augenstein, W; Kalin, R M; Fenton, O; Richards, K G; Coxon, C E

    2017-11-01

    Excessive nitrate (NO3(-)) concentration in groundwater raises health and environmental issues that must be addressed by all European Union (EU) member states under the Nitrates Directive and the Water Framework Directive. The identification of NO3(-) sources is critical to efficiently control or reverse NO3(-) contamination that affects many aquifers. In that respect, the use of stable isotope ratios (15)N/(14)N and (18)O/(16)O in NO3(-) (expressed as δ(15)N-NO3(-) and δ(18)O-NO3(-), respectively) has long shown its value. However, limitations exist in complex environments where multiple nitrogen (N) sources coexist. This two-year study explores a method for improved NO3(-) source investigation in a shallow unconfined aquifer with mixed N inputs and a long established NO3(-) problem. In this tillage-dominated area of free-draining soil and subsoil, suspected NO3(-) sources were diffuse applications of artificial fertiliser and organic point sources (septic tanks and farmyards). Bearing in mind that artificial diffuse sources were ubiquitous, groundwater samples were first classified according to a combination of two indicators relevant of point source contamination: presence/absence of organic point sources (i.e. septic tank and/or farmyard) near sampling wells and exceedance/non-exceedance of a contamination threshold value for sodium (Na(+)) in groundwater. This classification identified three contamination groups: agricultural diffuse source but no point source (D+P-), agricultural diffuse and point source (D+P+) and agricultural diffuse but point source occurrence ambiguous (D+P±). Thereafter δ(15)N-NO3(-) and δ(18)O-NO3(-) data were superimposed on the classification. As δ(15)N-NO3(-) was plotted against δ(18)O-NO3(-), comparisons were made between the different contamination groups. Overall, both δ variables were significantly and positively correlated (p < 0.0001, rs = 0.599, slope of 0.5), which was indicative of denitrification. An inspection

  6. Clinical, double-blind, placebo-controlled study investigating the combination of acetylsalicylic acid and pseudoephedrine for the symptomatic treatment of nasal congestion associated with common cold.

    PubMed

    Loose, Irene; Winkel, Matthias

    2004-01-01

    It was the aim of this clinical study to demonstrate the efficacy of 1000 mg acetylsalicylic acid (ASA, CAS 50-78-2) in combination with 60 mg pseudoephedrine (PSE, CAS 90-82-4), compared with placebo, in the symptomatic treatment of nasal congestion associated with the common cold. A further aim was to demonstrate the efficacy of 500 mg ASA + 30 mg PSE and of 1000 mg paracetamol (CAS 103-90-2) + 60 mg PSE (active control) in the symptomatic treatment of nasal congestion. The study was designed as a randomized, two-center, double-blind, double-dummy, placebo-controlled, parallel-group, single-dose efficacy and safety trial over 6 h and was carried out in the USA. In total, at two centers, 643 patients who had a history and diagnosis of acute upper respiratory tract infection (URTI), were included; they showed symptoms such as nasal congestion, scratchy/sore throat, headache, generalized muscle ache, earache, runny nose, fever, sneezing etc. The investigational drugs ASA and PSE were both provided as granules in sachets and the granules were dissolved in water before administration; the combined preparation of paracetamol + PSE was administered as commercially available tablets encapsulated for blinding. For all preparations, matching placebos were provided. The primary efficacy variable was the area under the curve for differences from baseline on a nasal congestion scale in the first 2 h after treatment. To be eligible for the study, otherwise healthy volunteers were to present with nasal stuffiness of recent onset that reached a score of at least 6 on the 11-point scale for nasal congestion (0 = not stuffy, 10 = very stuffy). The primary analysis of the primary efficacy variable was calculated by analysis of variance including treatment group, severity (moderate/severe) and center as main strata. The analysis was performed using the intent-to-treat population. All active treatments proved to be statistically significantly superior to placebo with regard to the

  7. [Investigation of combined effectiveness of spiramycin and beta-glucan in mice models of acute toxoplasmosis and determination of IL-10, IL-12 and TNF-α levels].

    PubMed

    Büyükbaba Boral, Ozden; Sönmez Tamer, Gülden; Keçeli Özcan, Sema; Sönmez, Neşe; Işsever, Halim; Tekeli, Fatma

    2012-07-01

    Toxoplasmosis which is caused by Toxoplasma gondii, has a high risk of fetal infection development if the infection occurs during pregnancy. Treatment with oral spiramycin is recommended during pregnancy in order to prevent the transmission of protozoa to fetus and development of infection. Since beta- glucan is known to stimulate the immune system and increase the phagocytic activity of the cells, it has been shown to exhibit immunomodulatory effect on many infectious diseases. The objectives of this study were to investigate the effectiveness of beta-glucan alone and in combination with spiramycin and to determinate the levels of interlökin (IL)-10, IL-12 and tumor nekrosis factor (TNF)-α in mice experimentally infected with T.gondii. For this purpose, four experimental groups each consisting of eight BALB/c mice, were formed with the approval of Ethics Committee for the Animal Experiments. All the mice were infected with 2 ml of suspension containing 2 x 102/ml of trophozoite prepared from T.gondii RH strain (Refik Saydam National Public Health Agency, Parasitology Laboratory of Communicable Diseases Research Department, Ankara, Turkey), by intraperitoneal injection. Twenty-four hours after the infection, beta-glucan (3 mg/day) was given to the beta-glucan group, spiramycin (200 mg/kg/day) to the spiramycin group, beta-glucan (3 mg/day) plus spiramycin (200 mg/kg/day) to the beta-glucan-spiramycin (BG-S) group by oral gavage. The fourth group which was the control group was infected but untreated. The above administration was carried out for seven days. On the 8th day, under anaesthesia, 1 ml normal saline was given into the peritoneum, drawn back later and the number of trophozoites in 1 ml of peritoneal fluid was determined by counting them on the Thoma slide. Moreover, by drawing the heart blood; IL-10, IL-12, TNF-α levels were determined in serum samples by ELISA method (eBioscience Platinum, Austria). The number of trophozoites in the BG-S group was

  8. Review and investigation of unsatisfactory control characteristics involving in stability of pilot-airplane combination and methods for predicting these difficulties from ground tests

    NASA Technical Reports Server (NTRS)

    Phillips, William H; Brown, B Porter; Matthews, James T , Jr

    1953-01-01

    A number of examples are presented of control difficulties not completely covered by existing handling-qualities requirements. 520/3:*:These control difficulties appear to result from a tendency for dynamic instability of the combination of pilot, control system, and airplane. The unsatisfactory characteristics involved have been encountered most frequently with hydraulic-power control systems. The nature of the difficulties may range from a slight interference with the ability of the pilot to hold precisely straight and level flight to a dangerous tendency toward divergent short-period oscillations which require constant attention of the pilot to control. Tests of a bomber and a fighter airplane with experimental power control systems have been made to study this problem further. The results of the investigation show that control difficulties of the type considered have always been associated with a marked phase difference between the pilot's control force and the associated control-surface deflection. The presence of static friction in the control valves of hydraulic-power control systems was found to be the explanation for unsatisfactory characteristics in several airplanes equipped with such systems. The valve friction may cause a phase lag between the pilot's control force and the associated control-surface deflection approaching 180 degrees at small control deflections. Definite limits or simple rules for the tolerable amount of valve friction appear to be difficult to establish because of the large number of variables which may influence the problem.The control characteristics of the airplanes tested were strongly influenced by minor design details of the power control systems.

  9. Analog-Computer Investigation of Effects of Friction and Preload on the Dynamic Longitudinal Characteristics of a Pilot-Airplane Combination

    NASA Technical Reports Server (NTRS)

    Crane, Harold L.

    1961-01-01

    With an electric analog computer, an investigation has been made of the effects of control frictions and preloads on the transient longitudinal response of a fighter airplane during abrupt small attitude corrections. The simulation included the airplane dynamics, powered control system, feel system, and a simple linearized pseudopilot. Control frictions at the stick pivot and at the servo valve as well as preloads of the stick and valve were considered individually and in combinations. It is believed that the results which are presented in the form of time histories and vector diagrams present a more detailed illustration of the effects of stray forces and compensating forces in the longitudinal control system than has previously been available. Consistent with the results of previous studies, the present results show that any of these four friction and preload forces caused some deterioration of the response. However, even a small amount of valve friction caused an oscillatory pitching response during which the phasing of the valve friction was such that it caused energy to be fed into the pitching oscillation of the air-plane. Of the other friction and preload forces which were considered, it was found that stick preload was close to 180 deg. out of phase with valve friction and thus could compensate in large measure for valve friction as long as the cycling of the stick encompassed the trim point. Either stick friction or valve preload provided a smaller stabilizing effect primarily through a reduction in the amplitude of the resultant force vector acting on the control system. Some data were obtained on the effects of friction when the damping or inertia of the control system or the pilot lag was varied.

  10. Analog-computer investigation of effects of friction and preload on the dynamic longitudinal characteristics of a pilot-airplane combination

    NASA Technical Reports Server (NTRS)

    Crane, Harold L

    1957-01-01

    With an electric analog computer, an investigation has been made of the effects of control frictions and preloads on the transient longitudinal response of a fighter airplane during abrupt small attitude corrections. The simulation included the airplane dynamics, powered control system, feel system, and a simple linearized pseudopilot. Control frictions at the stick pivot and at the servo valve as well as preloads of the stick and valve were considered individually and in combinations. It is believed that the results which are presented in the form of time histories and vector diagrams present a more detailed illustration of the effects of stray forces and compensating forces in the longitudinal control system than has previously been available. Consistent with the results of previous studies, the present results show that any of thesefour friction and preload forces caused some deterioration of the response. However, even a small amount of valve friction caused an oscillatory pitching response during which the phasing of the valve friction was such that it caused energy to be fed into the pitching oscillation of the airplane. Of the other friction and preload forces which were considered, it was found that stick preload was close to 180 degrees out of phase with valve friction and thus could compensate in large measure for valve friction as long as the cycling of the stick encompassed the trim point. Either stick friction or valve preload provided a smaller stabilizing effect primarily through a reduction in the amplitude of the resultant force vector acting on the control system. Some data were obtained on the effects of friction when the damping or inertia of the control system or the pilot lag was varied.

  11. Investigating the Vascular Phenotype of Subcutaneously and Orthotopically Propagated PC3 Prostate Cancer Xenografts Using Combined Carbogen Ultrasmall Superparamagnetic Iron Oxide MRI

    PubMed Central

    Burrell, Jake S.; Walker-Samuel, Simon; Boult, Jessica K.R.; Baker, Lauren C.J.; Jamin, Yann; Halliday, Jane; Waterton, John C.; Robinson, Simon P.

    2016-01-01

    Abstract The aim of this study was to use the combined carbogen-ultrasmall superparamagnetic iron oxide (CUSPIO) magnetic resonance imaging (MRI) method, which uses spatial correlations in independent susceptibility imaging biomarkers, to investigate and compare the impact of tumor size and anatomical site on vascular structure and function in vivo. Mice bearing either subcutaneous or orthotopic PC3 LN3 prostate tumors were imaged at 7 T, using a multi-gradient echo sequence to quantify R2∗, before and during carbogen (95% O2/5% CO2) breathing, and subsequently following intravenous administration of USPIO particles. Carbogen and USPIO-induced changes in R2∗ were used to inform on hemodynamic vasculature and fractional blood volume (%), respectively. The CUSPIO imaging data were also segmented to identify and assess five categories of R2∗ response. Small and large subcutaneous and orthotopic tumor cohorts all exhibited significantly (P < 0.05) different median baseline R2∗, ΔR2∗carbogen, and fractional blood volume. CUSPIO imaging showed that small subcutaneous tumors predominantly exhibited a negative ΔR2∗carbogen followed by a positive ΔR2∗USPIO, consistent with a well perfused tumor vasculature. Large subcutaneous tumors exhibited a small positive ΔR2∗carbogen and relatively low fractional blood volume, suggesting less functional vasculature. Orthotopic tumors revealed a large, positive ΔR2∗carbogen, consistent with vascular steal, and which may indicate that vascular function is more dependent on site of implantation than tumor size. Regions exhibiting significant ΔR2∗carbogen, but no significant ΔR2∗USPIO, suggesting transient vascular shutdown over the experimental timecourse, were apparent in all 3 cohorts. CUSPIO imaging can inform on efficient drug delivery via functional vasculature in vivo, and on appropriate tumor model selection for pre-clinical therapy trials PMID:27748709

  12. Investigating the Vascular Phenotype of Subcutaneously and Orthotopically Propagated PC3 Prostate Cancer Xenografts Using Combined Carbogen Ultrasmall Superparamagnetic Iron Oxide MRI.

    PubMed

    Burrell, Jake S; Walker-Samuel, Simon; Boult, Jessica K R; Baker, Lauren C J; Jamin, Yann; Halliday, Jane; Waterton, John C; Robinson, Simon P

    2016-10-01

    The aim of this study was to use the combined carbogen-ultrasmall superparamagnetic iron oxide (CUSPIO) magnetic resonance imaging (MRI) method, which uses spatial correlations in independent susceptibility imaging biomarkers, to investigate and compare the impact of tumor size and anatomical site on vascular structure and function in vivo. Mice bearing either subcutaneous or orthotopic PC3 LN3 prostate tumors were imaged at 7 T, using a multi-gradient echo sequence to quantify R2, before and during carbogen (95% O2/5% CO2) breathing, and subsequently following intravenous administration of USPIO particles. Carbogen and USPIO-induced changes in R2 were used to inform on hemodynamic vasculature and fractional blood volume (%), respectively. The CUSPIO imaging data were also segmented to identify and assess five categories of R2 response. Small and large subcutaneous and orthotopic tumor cohorts all exhibited significantly (P < 0.05) different median baseline R2, ΔR2carbogen, and fractional blood volume. CUSPIO imaging showed that small subcutaneous tumors predominantly exhibited a negative ΔR2carbogen followed by a positive ΔR2USPIO, consistent with a well perfused tumor vasculature. Large subcutaneous tumors exhibited a small positive ΔR2carbogen and relatively low fractional blood volume, suggesting less functional vasculature. Orthotopic tumors revealed a large, positive ΔR2carbogen, consistent with vascular steal, and which may indicate that vascular function is more dependent on site of implantation than tumor size. Regions exhibiting significant ΔR2carbogen, but no significant ΔR2USPIO, suggesting transient vascular shutdown over the experimental timecourse, were apparent in all 3 cohorts. CUSPIO imaging can inform on efficient drug delivery via functional vasculature in vivo, and on appropriate tumor model selection for pre-clinical therapy trials.

  13. Investigating Sodium Storage Mechanisms in Tin Anodes: A Combined Pair Distribution Function Analysis, Density Functional Theory, and Solid-State NMR Approach

    DOE PAGES

    Stratford, Joshua M.; Mayo, Martin; Allan, Phoebe K.; ...

    2017-05-04

    Here, the alloying mechanism of high-capacity tin anodes for sodium-ion batteries is investigated using a combined theoretical and experimental approach. Ab initio random structure searching (AIRSS) and high-throughput screening using a species-swap method provide insights into a range of possible sodium–tin structures. These structures are linked to experiments using both average and local structure probes in the form of operando pair distribution function analysis, X-ray diffraction, and 23Na solid-state nuclear magnetic resonance (ssNMR), along with ex situ 119Sn ssNMR. Through this approach, we propose structures for the previously unidentified crystalline and amorphous intermediates. The first electrochemical process of sodium insertionmore » into tin results in the conversion of crystalline tin into a layered structure consisting of mixed Na/Sn occupancy sites intercalated between planar hexagonal layers of Sn atoms (approximate stoichiometry NaSn3). Following this, NaSn2, which is predicted to be thermodynamically stable by AIRSS, forms; this contains hexagonal layers closely related to NaSn3, but has no tin atoms between the layers. NaSn2 is broken down into an amorphous phase of approximate composition Na1.2Sn. Reverse Monte Carlo refinements of an ab initio molecular dynamics model of this phase show that the predominant tin connectivity is chains. Further reaction with sodium results in the formation of structures containing Sn–Sn dumbbells, which interconvert through a solid-solution mechanism. These structures are based upon Na5–xSn2, with increasing occupancy of one of its sodium sites commensurate with the amount of sodium added. ssNMR results indicate that the final product, Na15Sn4, can store additional sodium atoms as an off-stoichiometry compound (Na15+xSn4) in a manner similar to Li15Si4.« less

  14. Investigating the complex mechanism of B migration in a magnetic-tunnel-junction trilayer structure—a combined study using XPS and TOF-SIMS

    NASA Astrophysics Data System (ADS)

    Ying, Ji-Feng; Ji, Rong; Ter Lim, Sze; Tran, Michael N.; Wang, Chen Chen; Ernult, Franck

    2016-02-01

    The magnetic-tunnel-junction (MTJ) structure is the core of many important devices, such as magnetic recording head and STT-RAM. CoFeB/MgO/CoFeB tri-layer thin-film stack is a widely researched MTJ structure. In this tri-layer, the functional property of the MTJ, i.e. its TMR ratio, is critically dependent on the crystal orientation of the CoFe grains. In order for the desired (1 0 0) out of plane texture to develop in the CoFeB layers, B needs to be engineered to be expelled out of these CoFeB layers, and diffuse or migrate into the adjacent layers. Ta is usually used as a seed layer adjacent to the MTJ structure. In this work, we investigated the important B-migration mechanisms within this MTJ structure through a combined XPS/TOF-SIMS study. Specifically, we tried to elucidate the possible physical/chemical interactions between the B and Ta that could happen with different film stack designs. Previous works have shown that there might be two possible B-migration mechanisms. One mechanism is direct B diffusion into the adjacent Ta layer during annealing. The other B-migration mechanism is through the formation of TaBOx species, in which B could be carried out by the Ta diffusion. In particular, through studying a series of film stacks, we discussed the circumstances under which one of these B-migration mechanisms becomes dominant. Furthermore, we discussed how these B-migration mechanisms facilitated the B expulsion in a common MTJ structure.

  15. A comparative investigation into relative bond strengths of Damon3, Damon3MX, and APC II brackets using different primer and adhesive combinations.

    PubMed

    Izadi, Maryam I; Sherriff, Martyn; Cobourne, Martyn T

    2012-12-01

    This investigation measured and compared shear bond strength (SBS) and adhesive remnant indices (ARIs) of Damon3 and Damon3MX brackets bonded with their recommended primer/adhesive combination or Transbond XT primer/adhesive, with APC II brackets bonded using Transbond XT. Sixty non-carious human third molars were collected and randomly divided into six equal groups of 10. Amongst these, one group was used to standardize the testing methodology, with the remainder constituting the five experimental groups. Upper right central incisor brackets represented each bracket type. Specifically, Damon3 brackets were bonded using either OrthoSolo primer/Blugloo (recommended) or Transbond XT primer/adhesive; Damon3MX brackets were bonded using OrthoSolo primer/Grengloo (recommended) or Transbond XT primer/adhesive, and APC II brackets were bonded with Transbond XT primer. Brackets were debonded by shear force using an Instron machine and the SBS measured. Scores for ARI were determined for all groups after bracket failure by magnified inspection of the tooth surface. Logrank tests showed a significantly higher SBS with Damon3 brackets bonded with OrthoSolo/Blugloo compared with Transbond XT, but no significant differences between the SBS of Damon3MX brackets bonded with OrthoSolo/Grengloo compared with Transbond XT. There were no significant differences in SBS of all three bracket types when bonded with Transbond XT. Pearson's chi-square test showed no difference in the locus of debond. All three adhesive systems are reliable when bonding Damon3 and Damon3MX brackets. Some caution should be taken when using Damon3 brackets bonded with OrthoSolo/Blugloo due to the higher SBS, although no enamel fractures were noted in this study.

  16. Combining simplicity with cost-effectiveness: Investigation of potential counterfeit of proton pump inhibitors through simulated formulations using thin-layer chromatography.

    PubMed

    Bhatt, Nejal M; Chavada, Vijay D; Sanyal, Mallika; Shrivastav, Pranav S

    2016-11-18

    A simple, accurate and precise high-performance thin-layer chromatographic method has been developed and validated for the analysis of proton pump inhibitors (PPIs) and their co-formulated drugs, available as binary combination. Planar chromatographic separation was achieved using a single mobile phase comprising of toluene: iso-propranol: acetone: ammonia 5.0:2.3:2.5:0.2 (v/v/v/v) for the analysis of 14 analytes on aluminium-backed layer of silica gel 60 FG254. Densitometric determination of the separated spots was done at 290nm. The method was validated according to ICH guidelines for linearity, precision and accuracy, sensitivity, specificity and robustness. The method showed good linear response for the selected drugs as indicated by the high values of correlation coefficients (≥0.9993). The limit of detection and limit of quantiation were in the range of 6.9-159.2ng/band and 20.8-478.1ng/band respectively for all the analytes. The optimized conditions afforded adequate resolution of each PPI from their co-formulated drugs and provided unambiguous identification of the co-formulated drugs from their homologous retardation factors (hRf). The only limitation of the method was the inability to separate two PPIs, rabeprazole and lansoprazole from each other. Nevertheless, it is proposed that peak spectra recording and comparison with standard drug spot can be a viable option for assignment of TLC spots. The method performance was assessed by analyzing different laboratory simulated mixtures and some marketed formulations of the selected drugs. The developed method was successfully used to investigate potential counterfeit of PPIs through a series of simulated formulations with good accuracy and precision. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Perfusion dynamics in lower limb reconstruction: Investigating postoperative recovery and training using combined white light photospectroscopy and laser Doppler (O2C(®)).

    PubMed

    Henton, John M D; Simmons, Jonathan M H; Hettiaratchy, Shehan; Jain, Abhilash

    2015-09-01

    Postoperative regimes designed to acclimatise lower limb free flaps to the changing flow dynamics of standing (flap training exercises) are widely employed despite a paucity of evidence for their use. This study utilises non-invasive monitoring of perfusion parameters to investigate flap training at the microcirculatory level. Eight prospective patients undergoing lower limb reconstruction with anterolateral thigh fasciocutaneous free flaps were enrolled. Combined tissue photospectroscopy and laser Doppler (O2C, LEA, Germany) was used to assess perfusion during five days of postoperative limb elevation and a subsequent three day flap training regime. Superficial Oxygen saturation (SO2), Haemoglobin concentration (rHb) and Flow measurements were taken. Readings were compared to pre-training control measurements. In the first five postoperative days of limb elevation, there were no significant changes in perfusion parameters. On commencement of flap training, 5 min of leg dependency resulted in mean decreases in SO2 of 45% on day 1 (p = 0.05) and 56% on day 2 (p = 0.02). Haemoglobin concentrations increased by 20% on day 1 (p = 0.01) and 26% on day 2 (p = 0.02). Flow decreased by 67% on day 1 (p = 0.19) and 78% day 2 (p = 0.03). On day 3 changes were observed to a lesser degree and only rHb increases remained statistically significant (p = 0.01). Prior to flap training, lower limb dependency causes reduced oxygenation, increased venous pooling and decreased flow consistent with venous congestion. Following a three day training regime, flap perfusion begins to accommodate for these changes. These findings provide a rationale for flap training, although further work is required to explain the mechanisms. Copyright © 2015 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

  18. A Combined Experimental and Computational Investigation on the Synthesis of Acetaldehyde [CH3CHO(X 1A')] in Interstellar Ices

    NASA Astrophysics Data System (ADS)

    Bennett, Chris J.; Jamieson, Corey S.; Osamura, Yoshihiro; Kaiser, Ralf I.

    2005-05-01

    The synthetic routes to form acetaldehyde [CH3CHO(X 1A')] in extraterrestrial ices were investigated experimentally in a contamination-free ultrahigh vacuum scattering machine. Binary ice mixtures of carbon monoxide [CO(X 1Σ+)] and methane [CH4(X 1A1)] were condensed at 10 K onto a silver monocrystal and irradiated with 5 keV electrons to mimic the electronic energy transfer processes initiated by MeV cosmic-ray particle-induced δ-electrons in the ``ultratrack'' of MeV ion trajectories; the carbon monoxide-methane ices served as model compounds to simulate neighboring COCH4 molecules in astrophysical ices, as present in cold molecular clouds and in cometary matter. Upon completion of the high-energy processing, the ice samples sublimed during the heating phase to 293 K, thus releasing the remaining reactants as well as the newly formed molecules into the gas phase. The experiment was monitored on line and in situ via a Fourier transform infrared (FTIR) spectrometer in absorption-reflection-absorption mode (solid state) and a quadrupole mass spectrometer (gas phase). Our investigations were combined with electronic structure calculations. At 10 K, the primary reaction step involved the cleavage of the carbon-hydrogen bond of the methane molecule via an electronic energy transfer process from the impinging electron to the methane molecule to form a methyl radical [CH3(X 2A''2)] plus a hydrogen atom [H(2S1/2)]. The H atom contains the excess energy in the form of translational motion; suprathermal hydrogen atoms can add to the carbon-oxygen triple bond of the carbon monoxide molecule, overcoming the entrance barrier, to yield the formyl radical [HCO(X 2A')]. Depending on the reactant geometry inside the matrix cage, the formyl radical recombined barrierlessly with the neighboring methyl radical inside the ices at 10 K. Upon warming of the ice sample, the acetaldehyde molecules sublime into the gas phase. This process mimics the sublimation of molecules from the

  19. In vitro solubility, dissolution and permeability studies combined with semi-mechanistic modeling to investigate the intestinal absorption of desvenlafaxine from an immediate- and extended release formulation.

    PubMed

    Franek, F; Jarlfors, A; Larsen, F; Holm, P; Steffansen, B

    2015-09-18

    Desvenlafaxine is a biopharmaceutics classification system (BCS) class 1 (high solubility, high permeability) and biopharmaceutical drug disposition classification system (BDDCS) class 3, (high solubility, poor metabolism; implying low permeability) compound. Thus the rate-limiting step for desvenlafaxine absorption (i.e. intestinal dissolution or permeation) is not fully clarified. The aim of this study was to investigate whether dissolution and/or intestinal permeability rate-limit desvenlafaxine absorption from an immediate-release formulation (IRF) and Pristiq(®), an extended release formulation (ERF). Semi-mechanistic models of desvenlafaxine were built (using SimCyp(®)) by combining in vitro data on dissolution and permeation (mechanistic part of model) with clinical data (obtained from literature) on distribution and clearance (non-mechanistic part of model). The model predictions of desvenlafaxine pharmacokinetics after IRF and ERF administration were compared with published clinical data from 14 trials. Desvenlafaxine in vivo dissolution from the IRF and ERF was predicted from in vitro solubility studies and biorelevant dissolution studies (using the USP3 dissolution apparatus), respectively. Desvenlafaxine apparent permeability (Papp) at varying apical pH was investigated using the Caco-2 cell line and extrapolated to effective intestinal permeability (Peff) in human duodenum, jejunum, ileum and colon. Desvenlafaxine pKa-values and octanol-water partition coefficients (Do:w) were determined experimentally. Due to predicted rapid dissolution after IRF administration, desvenlafaxine was predicted to be available for permeation in the duodenum. Desvenlafaxine Do:w and Papp increased approximately 13-fold when increasing apical pH from 5.5 to 7.4. Desvenlafaxine Peff thus increased with pH down the small intestine. Consequently, desvenlafaxine absorption from an IRF appears rate-limited by low Peff in the upper small intestine, which "delays" the predicted

  20. Investigation of the effect of chlormethiazole on cerebral chemistry in neurosurgical patients: a combined study of microdialysis and a neuroprotective agent

    PubMed Central

    Hutchinson, P J; O'Connell, M T; Coles, J P; Chatfield, D A; Coleman, M R; Al-Rawi, P G; Kett-White, C R; Gupta, A K; Menon, D K; Boniface, S J; Heazell, M; Kirkpatrick, P J; Pickard, J D

    2002-01-01

    ventilated patients with severe head injury. There was no evidence of hypotension or withdrawal seizures. Combining a pilot clinical study of a neuro-protective agent with multimodality monitoring is feasible and, despite the lack of effect on physiological and chemical parameters in this study, may be a useful adjunct to the development of neuro-protective drugs in the future. Further investigation of the capability of microdialysis in this setting is required. By investigating the effect of a drug on surrogate end-points, it may be possible to identify promising agents from small pilot clinical studies before embarking on large phase III clinical trials. PMID:11874391

  1. Investigation of Arctic mixed-phase clouds by combining airborne remote sensing and in situ observations during VERDI, RACEPAC and ACLOUD

    NASA Astrophysics Data System (ADS)

    Ehrlich, André; Bierwirth, Eike; Borrmann, Stephan; Crewell, Susanne; Herber, Andreas; Hoor, Peter; Jourdan, Olivier; Krämer, Martina; Lüpkes, Christof; Mertes, Stephan; Neuber, Roland; Petzold, Andreas; Schnaiter, Martin; Schneider, Johannes; Weigel, Ralf; Weinzierl, Bernadett; Wendisch, Manfred

    2016-04-01

    To improve our understanding of Arctic mixed-phase clouds a series of airborne research campaigns has been initiated by a collaboration of German research institutes. Clouds in areas dominated by a close sea-ice cover were observed during the research campaign Vertical distribution of ice in Arctic mixed-phase clouds (VERDI, April/May 2012) and the Radiation-Aerosol-Cloud Experiment in the Arctic Circle (RACEPAC, April/May 2014) which both were based in Inuvik, Canada. The aircraft (Polar 5 & 6, Basler BT-67) operated by the Alfred Wegener Institute for Polar and Marine Research, Germany did cover a wide area above the Canadian Beaufort with in total 149 flight hours (62h during VERDI, 87h during RACEPAC). For May/June 2017 a third campaign ACLOUD (Arctic Clouds - Characterization of Ice, aerosol Particles and Energy fluxes) with base in Svalbard is planned within the Transregional Collaborative Research Centre TR 172 ArctiC Amplification: Climate Relevant Atmospheric and SurfaCe Processes, and Feedback Mechanisms (AC)3 to investigate Arctic clouds in the transition zone between open ocean and sea ice. The aim of all campaigns is to combine remote sensing and in-situ cloud, aerosol and trace gas measurements to investigate interactions between radiation, cloud and aerosol particles. While during VERDI remote sensing and in-situ measurements were performed by one aircraft subsequently, for RACEPAC and ACLOUD two identical aircraft are coordinated at different altitudes to horizontally collocate both remote sensing and in-situ measurements. The campaign showed that in this way radiative and microphysical processes in the clouds can by studied more reliably and remote sensing methods can be validated efficiently. Here we will illustrate the scientific strategy of the projects including the progress in instrumentation. Differences in the general synoptic and sea ice situation and related changes in cloud properties at the different locations and seasons will be

  2. Clinical development of combination strategies in immunotherapy: are we ready for more than one investigational product in an early clinical trial?

    PubMed

    Perez-Gracia, Jose L; Berraondo, Pedro; Martinez-Forero, Ivan; Alfaro, Carlos; Suarez, Natalia; Gurpide, Alfonso; Sangro, Bruno; Hervas-Stubbs, Sandra; Ochoa, Carmen; Melero, Jose A; Melero, Ignacio

    2009-09-01

    Stimulating the innate and adaptive immunity against cancer necessitates the tricking of a system evolved to fight microbial pathogens and directing its activity towards transformed self-tissue. Efficacious interventions to start and sustain the response will probably require a number of agents to tamper simultaneously or sequentially with several immune mechanisms. Although master switches controlling various functions may exist, the goal of a curative immune response will probably demand the combined actions of several therapeutic components. Synergy occurs when drugs interact in ways that enhance or magnify one or more effects or side effects. In cancer immunotherapy, two agents that have minor or no therapeutic effects as single agents can be powerful when combined. Mouse experimentation provides multiple examples of synergistic combinations. Elements to be combined include chiefly: tumor vaccines, adoptive T-cell therapies, cytokines, costimulatory molecules, molecular deactivation of immunosuppressive or tolerogenic pathways and immunostimulatory monoclonal antibodies. These novel therapies, even as single agents, are extremely complex products to be developed owing to the associated biomolecules, cell therapies or gene therapies. At present, drug-development programs are run individually for each immunotherapeutic agent and combinations are considered only at a later stage in clinical development, even in the absence of formal compulsory regulations to prevent clinical trials with combinations. As a result, instead of the search for maximal efficacy, ease of combination with standard treatments, intellectual property management, regulations and business-based decisions often guide the way. Even though the maximal effort must be made in order to prevent adverse effects in patients, it seems reasonable that combination pilot trials should be performed at an early stage, following safe completion of Phase I trials. These trials should be performed based on

  3. Investigating CH4 production in an oxic plant-soil system -a new approach combining isotopic labelling (13C) and inhibitors

    NASA Astrophysics Data System (ADS)

    Lenhart, Katharina; Keppler, Frank

    2017-04-01

    Typically, aerated soil are net sinks of atmospheric methane (CH4), being highest in native ecosystems (pristine forests > managed forests > grasslands > crop fields). However, this does not exclude a simultaneous endogenic CH4 production in the plant-soil system, which cannot be detected simply via CH4 flux measurements. Methanogenic archaea producing CH4 under anoxic conditions were thought to be the only biotic source of CH4 in the soil. However, until recently a non-archaeal pathway of CH4 formation is known where CH4 is produced under oxic conditions in plants (Keppler et al. 2006) and fungi (Lenhart et al. 2012). Additionally, abiotic formation of CH4 from soil organic matter was reported (Jugold et al. 2012) and may be ubiquitous in terrestrial ecosystems. The major goal of this project was to determine soil endogenic CH4 sources and to estimate their contribution to the endogenic CH4 production. Especially the effect of plants and fungi on soil CH4 production was investigated. Therefore, a series of experiments was carried out on field fresh soil collected in a grassland and a forest ecosystem under controlled laboratory conditions. By combining selective inhibitors and 13C labelling, CH4 production rates of several CH4 sources were quantified. The major difficulty was to detect the comparatively small flux of CH4 production against the background of the high CH4 consumption rates due to methanotrophic bacteria. Therefore, we supplemented bare soil and soil with vegetation with selective inhibitors and 13C labelled substrates in a closed chamber system. In a first step, CH4 production was determined by the inhibition of CH4 oxidizing bacteria with Difluoromethane (DFM, 2ml l-1). In the following, a 13C labelled substrate (either CO2, Acetate, or Methionine -S-CH3 labelled) was added in combination with a specific inhibitor -either for archaeal methanogenesis (Bromoethanesulfonate), bacteria (Streptomycin), or fungi (Captan, Cycloheximide). Gas samples were

  4. DPT tautomerization of the long A∙A Watson-Crick base pair formed by the amino and imino tautomers of adenine: combined QM and QTAIM investigation.

    PubMed

    Brovarets', Ol'ha O; Zhurakivsky, Roman O; Hovorun, Dmytro M

    2013-10-01

    Combining quantum-mechanical (QM) calculations with quantum theory of atoms in molecules (QTAIM) and using the methodology of sweeps of the energetic, electron-topological, geometric and polar parameters, which describe the course of the tautomerization along the intrinsic reaction coordinate (IRC), we showed for the first time that the biologically important A∙A base pair (Cs symmetry) formed by the amino and imino tautomers of adenine (A) tautomerizes via asynchronous concerted double proton transfer (DPT) through a transition state (TS), which is the A(+)∙A(-) zwitterion with the separated charge, with Cs symmetry. The nine key points, which can be considered as electron-topological "fingerprints" of the asynchronous concerted A∙A ↔A ∙A tautomerization process via the DPT, were detected and completely investigated along the IRC of the A∙A*↔A*∙A tautomerization. Based on the sweeps of the H-bond energies, it was found that intermolecular antiparallel N6Н⋯N6 (7.01 kcal mol(-1)) and N1H⋯N1 (6.88 kcal mol(-1)) H-bonds are significantly cooperative and mutually reinforce each other. It was shown for the first time that the A∙A ↔A ∙A tautomerization is assisted by the third C2H⋯HC2 dihydrogen bond (DHB), which, in contrast to the two others N6H⋯N6 and N1H⋯N1 H-bonds, exists within the IRC range from -2.92 to 2.92 Å. The DHB cooperatively strengthens, reaching its maximum energy 0.42 kcal mol(-1) at IRC = -0.52 Å and minimum energy 0.25 kcal mol(-1) at IRC = -2.92 Å, and is accompanied by strengthening of the two other aforementioned classical H-bonds. We established that the C2H⋯HC2 DHB completely satisfies the electron-topological criteria for H-bonding, in particular Bader's and all eight "two-molecule" Koch and Popelier's criteria. The positive value of the Grunenberg's compliance constant (5.203 Å/mdyn) at the TSA∙A ↔A ∙A proves that the C2H⋯HC2 DHB is a stabilizing interaction. NBO analysis predicts transfer

  5. Quantifying weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl: a combined computational and experimental investigation of NMR chemical shifts in the solid state.

    PubMed

    Uldry, Anne-Christine; Griffin, John M; Yates, Jonathan R; Pérez-Torralba, Marta; María, M Dolores Santa; Webber, Amy L; Beaumont, Maximus L L; Samoson, Ago; Claramunt, Rosa María; Pickard, Chris J; Brown, Steven P

    2008-01-23

    Weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl, for which single-crystal diffraction structures reveal close CH...O=C and C[triple bond]CH...N[triple bond]C distances, is investigated in a study that combines the experimental determination of 1H, 13C, and 15N chemical shifts by magic-angle spinning (MAS) solid-state NMR with first-principles calculations using plane-wave basis sets. An optimized synthetic route, including the isolation and characterization of intermediates, to 4-cyano-4'-ethynylbiphenyl at natural abundance and with 13C[triple bond]13CH and 15N[triple bond]C labeling is described. The difference in chemical shifts calculated, on the one hand, for the full crystal structure and, on the other hand, for an isolated molecule depends on both intermolecular hydrogen bonding interactions and aromatic ring current effects. In this study, the two effects are separated computationally by, first, determining the difference in chemical shift between that calculated for a plane (uracil) or an isolated chain (4-cyano-4'-ethynylbiphenyl) and that calculated for an isolated molecule and by, second, calculating intraplane or intrachain nucleus-independent chemical shifts that quantify the ring current effects caused by neighboring molecules. For uracil, isolated molecule to plane changes in the 1H chemical shift of 2.0 and 2.2 ppm are determined for the CH protons involved in CH...O weak hydrogen bonding; this compares to changes of 5.1 and 5.4 ppm for the NH protons involved in conventional NH...O hydrogen bonding. A comparison of CH bond lengths for geometrically relaxed uracil molecules in the crystal structure and for geometrically relaxed isolated molecules reveals differences of no more than 0.002 A, which corresponds to changes in the calculated 1H chemical shifts of at most 0.1 ppm. For the C[triple bond]CH...N[triple bond]C weak hydrogen bonds in 4-cyano-4'-ethynylbiphenyl, the calculated molecule to chain changes are of similar magnitude

  6. Experimental investigation of a general real-time 3D target localization method using sequential kV imaging combined with respiratory monitoring.

    PubMed

    Cho, Byungchul; Poulsen, Per; Ruan, Dan; Sawant, Amit; Keall, Paul J

    2012-11-21

    The goal of this work was to experimentally quantify the geometric accuracy of a novel real-time 3D target localization method using sequential kV imaging combined with respiratory monitoring for clinically realistic arc and static field treatment delivery and target motion conditions. A general method for real-time target localization using kV imaging and respiratory monitoring was developed. Each dimension of internal target motion T(x, y, z; t) was estimated from the external respiratory signal R(t) through the correlation between R(t(i)) and the projected marker positions p(x(p), y(p); t(i)) on kV images by a state-augmented linear model: T(x, y, z; t) = aR(t) + bR(t - τ) + c. The model parameters, a, b, c, were determined by minimizing the squared fitting error ∑‖p(x(p), y(p); t(i)) - P(θ(i)) · (aR(t(i)) + bR(t(i) - τ) + c)‖(2) with the projection operator P(θ(i)). The model parameters were first initialized based on acquired kV arc images prior to MV beam delivery. This method was implemented on a trilogy linear accelerator consisting of an OBI x-ray imager (operating at 1 Hz) and real-time position monitoring (RPM) system (30 Hz). Arc and static field plans were delivered to a moving phantom programmed with measured lung tumour motion from ten patients. During delivery, the localization method determined the target position and the beam was adjusted in real time via dynamic multileaf collimator (DMLC) adaptation. The beam-target alignment error was quantified by segmenting the beam aperture and a phantom-embedded fiducial marker on MV images and analysing their relative position. With the localization method, the root-mean-squared errors of the ten lung tumour traces ranged from 0.7-1.3 mm and 0.8-1.4 mm during the single arc and five-field static beam delivery, respectively. Without the localization method, these errors ranged from 3.1-7.3 mm. In summary, a general method for real-time target localization using kV imaging and respiratory

  7. Combined geophysical surveys and coring data to investigate the pattern of the Watukosek fault system around the Lusi eruption site, Indonesia.

    NASA Astrophysics Data System (ADS)

    Husein, Alwi; Mazzini, Adriano; Lupi, Matteo; Mauri, Guillaume; Kemna, Andreas; Hadi, Soffian; Santosa, Bagus

    2016-04-01

    The Lusi mud eruption is located in the Sidoarjo area, Indonesia and is continuously erupting hot mud since its birth in May 2006. The Watukosek fault system originates from the neighboring Arjuno-Welirang volcanic complex extending towards the NE of Java. After the 27-06-2006 M 6.3 earthquake this fault system was reactivated and hosted numerous hot mud eruptions in the Sidoarjo area. Until now, no targeted investigations have been conducted to understand the geometry of the faults system crossing the Lusi eruption site. A comprehensive combined electrical resistivity and self-potential (SP) survey was performed in the 7 km2 area inside the Lusi embankment that had been built to contain the erupted mud and to prevent flooding of the surrounding roads and settlements. The goal of the geophysical survey is to map the near-surface occurrence of the Watukosek fault system upon which Lusi resides, delineate its spatial pattern, and monitor its development. We completed six lines of resistivity measurements using Wenner configuration and SP measurements using roll-along technique. Three subparallel lines were located to the north and to the south of the main crater. Each line was approximately W-E oriented extending for ~1.26 km. The surveyed regions consist of mud breccia (containing clayey-silty-sandy mixture with clast up to ~10 cm in size). The geophysical data have been complemented with a N-S oriented profile consisting of 6 cores (~30m long) drilled in the dry area inside the Lusi embankment. The resistivity data were inverted into 2-D resistivity images with a maximum penetration depth of almost 200 m. These images consistently reveal a region of about 300 m in width (between 30-90 m depth) characterized by anomalous resistivities, which are lower than the values observed in the surrounding area. The results of the SP data correspond well with the resistivity profiles in the anomalous parts, which suggests that their origin is related to fluid flow paths in the

  8. A pilot study to investigate the effects of combined dehumidification and HEPA filtration on dew point and airborne mold spore counts in day care centers.

    PubMed

    Bernstein, J A; Levin, L; Crandall, M S; Perez, A; Lanphear, B

    2005-12-01

    Meteorological factors such as relative humidity directly correlate with airborne fungal levels outdoors and indoors. While dehumidification alone is effective at reducing moisture necessary for mold growth, it is inadequate as a single intervention as it does not remove viable and non-viable fungal spores that are potentially allergenic. The purpose of this pilot study was to investigate whether dehumidification in combination with high-efficiency particulate arrestance (HEPA) filtration is effective at reducing airborne mold spore levels in day care centers. Two day care centers within a 2-mile radius of each other were selected. Day care center A was 2 years old with eight rooms while day care center B was 15 years old with six rooms. A high efficiency Santa Fe dehumidification unit equipped with a HEPA filter was installed in half the rooms (intervention) of each day care facility. Electronic HOBO data loggers continuously measured outdoor and indoor room dew point and temperature every 2 h throughout the study. Dew point and airborne fungal spore measurements from selected rooms with controlled air conditions were analyzed by comparing baseline measurements to those obtained at subsequent time periods over 1 year. Regression models accounted for correlations between measurements in the same room over time. Intervention resulted in a lowered average dew point from baseline by 8.8 degrees C compared with a decrease of 7.1 degrees C in non-intervention rooms across all time periods in both facilities (P<0.001). Fungal analyses demonstrated lower baseline (P=0.06) and follow-up means in intervention rooms (P<0.05), however the change from baseline to end of follow-up differed between intervention and non-intervention rooms in the two facilities. Log transformation was applied to approximate normality of fungal measurements. Dehumidification with HEPA filtration was effective at controlling indoor dew point in both facilities and at reducing airborne culturable

  9. Investigation of Combined Action of Food Supplement's and Ionizing Radiation on the Cytogenetic Damage Induction and Ehrlich Ascite Carcinoma Growth on Mice in Vivo

    NASA Astrophysics Data System (ADS)

    Sorokina, Svetlana; Zaichkina, Svetlana; Dyukina, Alsu; Rozanova, Olga; Balakin, Vladimir; Peleshko, Vladimir; Romanchenko, Sergey; Smirnova, Helena; Aptikaeva, Gella; Shemyakov, Alexander

    In recent ten years one of the major problems of modern radiobiology is the study of radiation protective mechanisms with the help of different substances as well as activation of internal resources of the organism. Internal resources mean such phenomena as hormesis and adaptive response which represent cell or body reaction on low doses of inducing factors and predetermine their further high dose effect resistance. At present special interest is attracted by studies of biological effects of low-dose-rate high-LET radiation because of searching for new types of radiation for more effective cancer therapy and searching for new methods of radiation protection. Since natural biologically active substances have low toxicity and are capable of affecting physiological processes taking place in human’s organism and increasing organism’s natural defense system, the interest to protective means of vegetal origin and search of special food supplements intensifies every year. The purpose of this study is to investigate the combined influence of food supplement, low dose rate high-LET radiation simulating high-altitude flight conditions and X-ray radiations on radiosensitivity, induction of radiation adaptive response (RAR) and growth of Ehrlich ascite carcinoma as well. Experiments were performed with males of SHK mice at the age of two months. The animals were being irradiated with low-dose-rate high-LET radiation with the dose of 11,6 cGy (0,5 cGy/day) behind the concrete shield of the 70 GeV protons accelerator (Protvino). The X-ray irradiation was carried out on the RTH device with a voltage of 200 kV (1 Gy/min; Pushchino). The diet composition included products containing big amount of biologically active substances, such as: soybeam meat, buckwheat, lettuce leaves and drug of cod-liver oil. Four groups of mice were fed with selected products mentioned above during the whole irradiation period of 22 days. The control groups received the same food without irradiation

  10. ASP9853, an inhibitor of inducible nitric oxide synthase dimerization, in combination with docetaxel: Preclinical investigation and a Phase I study in advanced solid tumors

    PubMed Central

    Luke, Jason J.; LoRusso, Patricia; Shapiro, Geoffrey I.; Krivoshik, Andrew; Schuster, Robin; Yamazaki, Takao; Arai, Yukinori; Fakhoury, Allam; Dmuchowski, Carl; Infante, Jeffrey R.

    2016-01-01

    Purpose ASP9853 is an inhibitor of iNOS dimerization, which results in decreased NO production. Here we report preclinical pharmacology of ASP9853 and the impact of ASP9853 in combination with a taxane on tumor volume in vivo. In addition, a Phase I open-label study of ASP9853 plus docetaxel was conducted to assess this combination in patients with advanced solid tumors. Methods The preclinical efficacy of ASP9853 in combination with a taxane was studied in tumor-bearing mice. In the clinic, patients with solid tumors that had progressed or failed to respond to previous therapies were treated with once daily ASP9853 in combination with docetaxel once every 3 weeks to assess safety and tolerability and to determine the maximum tolerated dose (MTD) and the recommended Phase II dose (RP2D) of the combination. Results ASP9853 in combination with docetaxel showed greater tumor growth inhibition than docetaxel alone against non-small lung cancer xenografts. Twenty patients were treated with ASP9853 and docetaxel. Five patients experienced neutropenic dose limiting toxicities. Owing to overall toxicity that limited further dose escalation, the ASP9853 concentrations predicted for efficacy based on the preclinical data were not achieved. Due to toxicity and lack of clear efficacy, the study was terminated without determination of MTD or RP2D. Conclusions Inhibition of iNOS by ASP9853 in combination with docetaxel was not tolerable and resulted in the possible potentiation of neutropenia. Manipulation of the iNOS pathway, with or without chemotherapy, appears to be more complicated than initially expected. PMID:26811179

  11. Preclinical Investigations of PM01183 (Lurbinectedin) as a Single Agent or in Combination with Other Anticancer Agents for Clear Cell Carcinoma of the Ovary

    PubMed Central

    Takahashi, Ryoko; Mabuchi, Seiji; Kawano, Mahiru; Sasano, Tomoyuki; Matsumoto, Yuri; Kuroda, Hiromasa; Kozasa, Katsumi; Hashimoto, Kae; Sawada, Kenjiro; Kimura, Tadashi

    2016-01-01

    Objective The objective of this study was to evaluate the antitumor effects of lurbinectedin as a single agent or in combination with existing anticancer agents for clear cell carcinoma (CCC) of the ovary, which is regarded as an aggressive, chemoresistant, histological subtype. Methods Using human ovarian CCC cell lines, the antitumor effects of lurbinectedin, SN-38, doxorubicin, cisplatin, and paclitaxel as single agents were assessed using the MTS assay. Then, the antitumor effects of combination therapies involving lurbinectedin and 1 of the other 4 agents were evaluated using isobologram analysis to examine whether these combinations displayed synergistic effects. The antitumor activity of each treatment was also examined using cisplatin-resistant and paclitaxel-resistant CCC sublines. Finally, we determined the effects of mTORC1 inhibition on the antitumor activity of lurbinectedin-based chemotherapy. Results Lurbinectedin exhibited significant antitumor activity toward chemosensitive and chemoresistant CCC cells in vitro. An examination of mouse CCC cell xenografts revealed that lurbinectedin significantly inhibits tumor growth. Among the tested combinations, lurbinectedin plus SN-38 resulted in a significant synergistic effect. This combination also had strong synergistic effects on both the cisplatin-resistant and paclitaxel-resistant CCC cell lines. Everolimus significantly enhanced the antitumor activity of lurbinectedin-based chemotherapies. Conclusions Lurbinectedin, a new agent that targets active transcription, exhibits antitumor activity in CCC when used as a single agent and has synergistic antitumor effects when combined with irinotecan. Our results indicate that lurbinectedin is a promising agent for treating ovarian CCC, both as a first-line treatment and as a salvage treatment for recurrent lesions that develop after platinum-based or paclitaxel treatment. PMID:26986199

  12. [Investigation of oxidative stress and antioxidant defense in patients with hepatitis B virus infection and the effect of interferon-alpha plus lamivudine combination therapy on oxidative stress].

    PubMed

    Acar, Ali; Görenek, Levent; Aydin, Ahmet; Eyigün, Can Polat; Eken, Ayşe; Sayal, Ahmet; Pahsa, Alaaddin

    2009-07-01

    The aim of our study is to determine the role of oxidative stress on hepatic damage in patients with acute and chronic hepatitis B virus (HBV) infection and the efficacy of antioxidant-enzyme system against oxidative stress. Furthermore, the effect of interferon-alpha (IFN-alpha) plus lamivudine therapy on oxidative stress was also investigated. Nineteen patients with acute hepatitis B virus (AHBV) infection, 17 patients with chronic hepatitis B virus (CHBV) infection, 24 inactive HBsAg carriers and 21 healthy controls were included in the study. In control and patient groups, serum alanine-aminotransferase (ALT) and aspartate aminotransferase (AST) levels, erythrocyte malondialdehyde (MDA) levels, erythrocyte superoxide dismutase (CuZn-SOD) and glutathione peroxidase (GSH-Px) activities were measured. In CHBV group, after IFN-alpha plus lamivudine therapy for 6 months, these parameters were measured again. In all patient groups erythrocyte MDA levels were detected higher than control group (p < 0.05). Activity of CuZn-SOD was found to be the highest in AHBV (p < 0.05), and the lowest before the treatment in CHBV group (p < 0.05) compared with other groups. Activity of GSH-Px was found to be the highest in AHBV compared with inactive HBsAg carriers (p < 0.05) and CHBV group before treatment (p < 0.05). Activity of GSH-Px was found to be the lowest in CHBV group before treatment compared with other groups (p < 0.05). In CHBV group there was a significant decrease of MDA levels after treatment (p < 0.05) while there was a significant increase in activity of CuZn-SOD and GSH-Px compared with pretreatment levels (p < 0.05). A significant positive correlation was determined between MDA values and serum ALT levels, before and after the treatment (p < 0.05). Detection of the increase of MDA levels which is a product of lipid peroxidation in all patient groups, indicates that the oxidative stress is increased in HBV infection. Correlation between the levels of erythrocyte

  13. Deformable registration of the inflated and deflated lung in cone-beam CT-guided thoracic surgery: Initial investigation of a combined model- and image-driven approach

    PubMed Central

    Uneri, Ali; Nithiananthan, Sajendra; Schafer, Sebastian; Otake, Yoshito; Stayman, J. Webster; Kleinszig, Gerhard; Sussman, Marc S.; Prince, Jerry L.; Siewerdsen, Jeffrey H.

    2013-01-01

    Purpose: Surgical resection is the preferred modality for curative treatment of early stage lung cancer, but localization of small tumors (<10 mm diameter) during surgery presents a major challenge that is likely to increase as more early-stage disease is detected incidentally and in low-dose CT screening. To overcome the difficulty of manual localization (fingers inserted through intercostal ports) and the cost, logistics, and morbidity of preoperative tagging (coil or dye placement under CT-fluoroscopy), the authors propose the use of intraoperative cone-beam CT (CBCT) and deformable image registration to guide targeting of small tumors in video-assisted thoracic surgery (VATS). A novel algorithm is reported for registration of the lung from its inflated state (prior to pleural breach) to the deflated state (during resection) to localize surgical targets and adjacent critical anatomy. Methods: The registration approach geometrically resolves images of the inflated and deflated lung using a coarse model-driven stage followed by a finer image-driven stage. The model-driven stage uses image features derived from the lung surfaces and airways: triangular surface meshes are morphed to capture bulk motion; concurrently, the airways generate graph structures from which corresponding nodes are identified. Interpolation of the sparse motion fields computed from the bounding surface and interior airways provides a 3D motion field that coarsely registers the lung and initializes the subsequent image-driven stage. The image-driven stage employs an intensity-corrected, symmetric form of the Demons method. The algorithm was validated over 12 datasets, obtained from porcine specimen experiments emulating CBCT-guided VATS. Geometric accuracy was quantified in terms of target registration error (TRE) in anatomical targets throughout the lung, and normalized cross-correlation. Variations of the algorithm were investigated to study the behavior of the model- and image-driven stages

  14. Investigation in a model system of the effects of combinations of anthrax and pertussis vaccines administered to service personnel in the 1991 Gulf War.

    PubMed

    Rijpkema, Sjoerd G; Adams, Trudy; Rigsby, Peter; Xing, Dorothy K; Corbel, Michael J

    2005-01-01

    The toxicity and immunogenicity of the anthrax and pertussis vaccine combinations used in the 1991 Gulf War was assessed in NIH, A/J and Balb/c mice. Inoculation of pertussis vaccines, vaccine combinations, or aluminium salt caused illness, splenomegaly and significant weight loss. Although some animals recovered eventually, a lethal form of ascites developed in some NIH mice and body weights of A/J and Balb/c mice remained below normal levels. Inoculation of anthrax vaccine produced little effect. Exposure to diluted vaccine combinations produced less serious side effects of shorter duration. Single vaccinations induced specific IgG1 antibodies whereas a mixture of IgG1 and IgG2a was produced after multiple injections. Antigen stimulation of spleen cells from mice exposed to pertussis vaccines induced high levels of NO and IL-6, whereas stimulated spleen cells from mice exposed to anthrax vaccine produced only low levels of IL-6. In mice, pertussis vaccines act as an adjuvant for anthrax vaccine, but these vaccines are also the major cause of toxicity of the vaccine combination. The relatively high vaccine dose used, together with the low sensitivity of mice to anthrax toxin, emphasises that caution should be exercised in applying these results to human recipients of these vaccines.

  15. Integrating Mixed Method Data in Psychological Research: Combining Q Methodology and Questionnaires in a Study Investigating Cultural and Psychological Influences on Adolescent Sexual Behavior

    ERIC Educational Resources Information Center

    Franz, Anke; Worrell, Marcia; Vögele, Claus

    2013-01-01

    In recent years, combining quantitative and qualitative research methods in the same study has become increasingly acceptable in both applied and academic psychological research. However, a difficulty for many mixed methods researchers is how to integrate findings consistently. The value of using a coherent framework throughout the research…

  16. Integrating Mixed Method Data in Psychological Research: Combining Q Methodology and Questionnaires in a Study Investigating Cultural and Psychological Influences on Adolescent Sexual Behavior

    ERIC Educational Resources Information Center

    Franz, Anke; Worrell, Marcia; Vögele, Claus

    2013-01-01

    In recent years, combining quantitative and qualitative research methods in the same study has become increasingly acceptable in both applied and academic psychological research. However, a difficulty for many mixed methods researchers is how to integrate findings consistently. The value of using a coherent framework throughout the research…

  17. An integrated use of multiple biomarkers to investigate the individual and combined effect of copper and cadmium on the marine green mussel (Perna viridis).

    PubMed

    Goswami, Prasun; Hariharan, G; Godhantaraman, Nallamuthu; Munuswamy, Natesan

    2014-01-01

    The present study documents individual and combined sub-lethal effect of one redox active (copper) and one non-redox active (cadmium) metal on green mussel (Perna viridis). The mussels were exposed to 60 μg L(-1) of Cu and 150 μg L(-1) of Cd (individually and in combination) for 21 days. Histopathological and ultrastructural studies revealed significant metal induced alterations such as vacuolization, fusion of gill lamellae, enhance mucous deposition, hyperplasia and necrosis in gills. Antioxidant enzyme assays revealed significant increase in superoxide dismutase (SOD), glutathione S-transferase (GST) and glutathione peroxidase (GPx) activity. Similarly, single exposure to Cd and Cu caused significant induction in Malate dehydrogenase (MDH) activity. However, combined Cu+Cd exposure modulated suppression in MDH activity. Unlike MDH, Cu and Cd individual exposure resulted in a decrease in esterase (EST) activity, but their combined exposure caused an induction. Non-enzymatic biomarkers such as lipid peroxidation (LPO) and metallothionein (MT) levels showed no significant change in response to Cu exposure, whereas, individual Cd exposure or Cd exposure in combination with Cu caused significant changes in their levels. Comet assay revealed a significant increase in DNA damage upon metal exposure. These results indicate that Cu (redox active) and Cd (non-redox active) can induce measurable physiological, biochemical as well as genotoxic perturbations in mussels even at sub-lethal concentrations. A monitoring programme based on the biomarkers discussed here would be useful to study the effect of metal pollutants reaching the coastal waters.

  18. Multiscale investigation on the effects of additional weight bearing in combination with low-magnitude high-frequency vibration on bone quality of growing female rats.

    PubMed

    Zhang, Tianlong; Gao, Jiazi; Fang, Juan; Gong, He

    2017-03-14

    This study aimed to explore the effects of additional weight bearing in combination with low-magnitude high-frequency vibration (LMHFV; 45 Hz, 0.3 g) on bone quality. One hundred twenty rats were randomly divided into ten groups; namely, sedentary (SED), additional weight bearing in which the rat wears a backpack whose weight is x% of the body weight (WBx; x = 5, 12, 19, 26), basic vibration (V), and additional weight bearing in combination with LMHFV in which the rat wears a backpack whose weight is x% of the body weight (Vx; x = 5, 12, 19, 26). The experiment was conducted for 12 weeks, 7 days per week, and 15 min per day. A three-point bending mechanical test, micro computed tomography, and a nanoindentation test were used. Serum samples were analyzed chemically. Failure load in V19 rats was significantly lower than that in SED rats (P < 0.05). Vx (x = 5, 12, 19, 26) rats showed poor microarchitectures. The content of tartrate-resistant acid phosphatase 5b was significantly higher in Vx (x = 5, 12, 19, 26) rats than that in SED rats (P < 0.05). V26 rats demonstrated comparatively better nanomechanical properties of materials than the other vibrational groups. Additional weight bearing in combination with LMHFV negatively affected the macromechanical properties and microarchitecture of bone. Heavy additional weight bearing, such as 26% of body weight, in combination with LMHFV was able to improve the nanomechanical properties of growing bone material compared with LMHFV. A combined mechanical stimulation was used, which may provide useful information to understand the mechanism of this mechanical stimulation on bone.

  19. A pilot study to investigate the combined use of Botulinum toxin type-a and ankle foot orthosis for the treatment of spastic foot in chronic hemiplegic patients.

    PubMed

    Pradon, Didier; Hutin, Emilie; Khadir, Simon; Taiar, Redha; Genet, François; Roche, Nicolas

    2011-10-01

    Botulinum toxin is commonly used to treat spastic equinus foot. This treatment seems to improve gait in hemiplegic patients when used alone or combined with an ankle-foot orthosis. However, the nature and effects of this improvement have until now rarely been studied. The aim of this study was to quantify the impact of a Botulinum toxin injection in the triceps surae of hemiplegic patients with equinus foot, used either alone or in combination with an ankle-foot orthosis, on the kinematics and dynamics of the paretic lower limb, and to determine the advantage of combining an ankle-foot orthosis with this pharmacological treatment. Patients were assessed using gait analysis to measure spatio-temporal, kinematic and dynamic parameters of the gait cycle before Botulinum toxin injection and then 3 and 6weeks after injection. Eight chronic hemiplegics following central nervous system lesion were included. Botulinum toxin injection led to an increase in velocity, peak ankle dorsiflexion during stance phase, and peak knee flexion during swing phase. It also resulted in an increased peak plantarflexion moment. Use of ankle-foot orthosis led to a specific increase in peak ankle dorsiflexion during swing phase and also increased peak plantarflexion moment. The results indicate that combined Botulinum toxin injection of the triceps surae and wearing an ankle-foot orthosis is more effective than the use of Botulinum toxin only. Use of an ankle-foot orthosis increases ankle dorsiflexion during the swing phase and does not reduce the benefits gained by the use of Botulinum toxin in stance phase. Copyright © 2011 Elsevier Ltd. All rights reserved.

  20. A Comparative Investigation of the Combined Effects of Pre-Processing, Wavelength Selection, and Regression Methods on Near-Infrared Calibration Model Performance.

    PubMed

    Wan, Jian; Chen, Yi-Chieh; Morris, A Julian; Thennadil, Suresh N

    2017-07-01

    Near-infrared (NIR) spectroscopy is being widely used in various fields ranging from pharmaceutics to the food industry for analyzing chemical and physical properties of the substances concerned. Its advantages over other analytical techniques include available physical interpretation of spectral data, nondestructive nature and high speed of measurements, and little or no need for sample preparation. The successful application of NIR spectroscopy relies on three main aspects: pre-processing of spectral data to eliminate nonlinear variations due to temperature, light scattering effects and many others, selection of those wavelengths that contribute useful information, and identification of suitable calibration models using linear/nonlinear regression . Several methods have been developed for each of these three aspects and many comparative studies of different methods exist for an individual aspect or some combinations. However, there is still a lack of comparative studies for the interactions among these three aspects, which can shed light on what role each aspect plays in the calibration and how to combine various methods of each aspect together to obtain the best calibration model. This paper aims to provide such a comparative study based on four benchmark data sets using three typical pre-processing methods, namely, orthogonal signal correction (OSC), extended multiplicative signal correction (EMSC) and optical path-length estimation and correction (OPLEC); two existing wavelength selection methods, namely, stepwise forward selection (SFS) and genetic algorithm optimization combined with partial least squares regression for spectral data (GAPLSSP); four popular regression methods, namely, partial least squares (PLS), least absolute shrinkage and selection operator (LASSO), least squares support vector machine (LS-SVM), and Gaussian process regression (GPR). The comparative study indicates that, in general, pre-processing of spectral data can play a significant

  1. FIRST INVESTIGATION OF THE COMBINED IMPACT OF IONIZING RADIATION AND MOMENTUM WINDS FROM A MASSIVE STAR ON A SELF-GRAVITATING CORE

    SciTech Connect

    Ngoumou, Judith; Hubber, David; Dale, James E.; Burkert, Andreas

    2015-01-01

    Massive stars shape the surrounding interstellar matter (ISM) by emitting ionizing photons and ejecting material through stellar winds. To study the impact of the momentum from the wind of a massive star on the surrounding neutral or ionized material, we implemented a new HEALPix-based momentum-conserving wind scheme in the smoothed particle hydrodynamics (SPH) code SEREN. A qualitative study of the impact of the feedback from an O7.5-like star on a self-gravitating sphere shows that on its own, the transfer of momentum from a wind onto cold surrounding gas has both a compressing and dispersing effect. It mostly affects gas at low and intermediate densities. When combined with a stellar source's ionizing ultraviolet (UV) radiation, we find the momentum-driven wind to have little direct effect on the gas. We conclude that during a massive star's main sequence, the UV ionizing radiation is the main feedback mechanism shaping and compressing the cold gas. Overall, the wind's effects on the dense gas dynamics and on the triggering of star formation are very modest. The structures formed in the ionization-only simulation and in the combined feedback simulation are remarkably similar. However, in the combined feedback case, different SPH particles end up being compressed. This indicates that the microphysics of gas mixing differ between the two feedback simulations and that the winds can contribute to the localized redistribution and reshuffling of gas.

  2. Investigation of the chemical mixing state of individual Asian dust particles by the combined use of electron probe X-ray microanalysis and Raman microspectrometry.

    PubMed

    Sobanska, Sophie; Hwang, HeeJin; Choël, Marie; Jung, Hae-Jin; Eom, Hyo-Jin; Kim, HyeKeong; Barbillat, Jacques; Ro, Chul-Un

    2012-04-03

    In this work, quantitative electron probe X-ray microanalysis (EPMA) and Raman microspectrometry (RMS) were applied in combination for the first time to characterize the complex internal structure and physicochemical properties of the same ensemble of Asian dust particles. The analytical methodology to obtain the chemical composition, mixing state, and spatial distribution of chemical species within single particles through the combined use of the two techniques is described. Asian dust aerosol particles collected in Incheon, Korea, during a moderate dust storm event were examined to assess the applicability of the methodology to resolve internal mixtures within single particles. Among 92 individual analyzed particles, EPMA and RMS identified 53% of the particles to be internally mixed with two or more chemical species. Information on the spatial distribution of chemical compounds within internally mixed individual particles can be useful for deciphering the particle aging mechanisms and sources. This study demonstrates that the characterization of individual particles, including chemical speciation and mixing state analysis, can be performed more in detail using EPMA and RMS in combination than with the two single-particle techniques alone.

  3. A proof of concept study investigating the feasibility of combining iPAM robot assisted rehabilitation with functional electrical stimulation to deliver whole arm exercise in stroke survivors.

    PubMed

    O'Connor, Rory J; Jackson, Andrew; Makower, Sophie G; Cozens, Alastair; Levesley, Martin

    2014-01-01

    Rehabilitation robots can provide exercise for stroke survivors with weakness at the shoulder and elbow, but most do not facilitate hand movements. The aim was to combine robotics and functional electrical stimulation to facilitate exercise in stroke survivors with upper limb impairment. iPAM Mk II was used to assist active reaching in combination with an Odstock Pace stimulator to assist hand opening. The ABILHAND, Action Research Arm Test (ARAT) and the Stroke Impact Scale (SIS) were recorded at baseline and completion. Nine participants (eight males and one female; mean age = 58 years) were recruited; mean time since stroke was 16 months (range = 6-64). The ABILHAND at baseline was -2.73, improving to -1.45 at follow-up (p = 0.038). The ARAT changed from 4.1 to 2.6 (p = 0.180), and the SIS from 49 to 60 (p = 0.019). This study demonstrates that it is possible to combine two technologies in stroke rehabilitation.

  4. Investigation on fatigue strength of a shaft with diameter enlarged partially by combination of a cyclic bending load with an axial compressive load

    NASA Astrophysics Data System (ADS)

    Zhu, X.; Kuwahara, Y.; Okabe, N.; Ogi, K.; Ikuta, F.

    2009-12-01

    This paper investigates fatigue strength and existence of mechanical damage experimentally and analytically. In particular, first, we carry out rotary bending fatigue tests and investigate fatigue strength for smooth specimens and specimen processed using the working method. Secondly, we measure Vickers hardness value to investigate strain hardening, and observe microstructure to investigate microstructure change in the diameter-enlargement part. Finally, we simulate stress and strain distribution in the processed part during the processing, using finite element method (FEM), and calculate stress concentration rate and plastic strain. And we predict the existence of mechanical damage in the processed part during the processing experimentally and numerical-analytically. The results of the experiments and analyses indicate that the fatigue damage is not generated in the processed part during the processing in the discussed range of the diameter-enlargement rate D/D0<1.8, through comparing with the smooth specimens.

  5. Investigation on fatigue strength of a shaft with diameter enlarged partially by combination of a cyclic bending load with an axial compressive load

    NASA Astrophysics Data System (ADS)

    Zhu, X.; Kuwahara, Y.; Okabe, N.; Ogi, K.; Ikuta, F.

    2010-03-01

    This paper investigates fatigue strength and existence of mechanical damage experimentally and analytically. In particular, first, we carry out rotary bending fatigue tests and investigate fatigue strength for smooth specimens and specimen processed using the working method. Secondly, we measure Vickers hardness value to investigate strain hardening, and observe microstructure to investigate microstructure change in the diameter-enlargement part. Finally, we simulate stress and strain distribution in the processed part during the processing, using finite element method (FEM), and calculate stress concentration rate and plastic strain. And we predict the existence of mechanical damage in the processed part during the processing experimentally and numerical-analytically. The results of the experiments and analyses indicate that the fatigue damage is not generated in the processed part during the processing in the discussed range of the diameter-enlargement rate D/D0<1.8, through comparing with the smooth specimens.

  6. Calculational and Experimental Investigations of the Pressure Effects on Radical - Radical Cross Combinations Reactions: C2H5 + C2H3

    NASA Technical Reports Server (NTRS)

    Fahr, Askar; Halpern, Joshua B.; Tardy, Dwight C.

    2007-01-01

    Pressure-dependent product yields have been experimentally determined for the cross-radical reaction C2H5 + C2H3. These results have been extended by calculations. It is shown that the chemically activated combination adduct, 1-C4H8*, is either stabilized by bimolecular collisions or subject to a variety of unimolecular reactions including cyclizations and decompositions. Therefore the "apparent" combination/disproportionation ratio exhibits a complex pressure dependence. The experimental studies were performed at 298 K and at selected pressures between about 4 Torr (0.5 kPa) and 760 Torr (101 kPa). Ethyl and vinyl radicals were simultaneously produced by 193 nm excimer laser photolysis of C2H5COC2H3 or photolysis of C2H3Br and C2H5COC2H5. Gas chromatograph/mass spectrometry/flame ionization detection (GC/MS/FID) were used to identify and quantify the final reaction products. The major combination reactions at pressures between 500 (66.5 kPa) and 760 Torr are (1c) C2H5 + C2H3 yields 1-butene, (2c) C2H5 + C2H5 yields n-butane, and (3c) C2H3 + C2H3 yields 1,3-butadiene. The major products of the disproportionation reactions are ethane, ethylene, and acetylene. At moderate and lower pressures, secondary products, including propene, propane, isobutene, 2-butene (cis and trans), 1-pentene, 1,4-pentadiene, and 1,5-hexadiene are also observed. Two isomers of C4H6, cyclobutene and/or 1,2-butadiene, were also among the likely products. The pressure-dependent yield of the cross-combination product, 1-butene, was compared to the yield of n-butane, the combination product of reaction (2c), which was found to be independent of pressure over the range of this study. The [ 1-C4H8]/[C4H10] ratio was reduced from approx.1.2 at 760 Torr (101 kPa) to approx.0.5 at 100 Torr (13.3 kPa) and approx.0.1 at pressures lower than about 5 Torr (approx.0.7 kPa). Electronic structure and RRKM calculations were used to simulate both unimolecular and bimolecular processes. The relative importance

  7. Calculational and Experimental Investigations of the Pressure Effects on Radical - Radical Cross Combinations Reactions: C2H5 + C2H3

    NASA Technical Reports Server (NTRS)

    Fahr, Askar; Halpern, Joshua B.; Tardy, Dwight C.

    2007-01-01

    Pressure-dependent product yields have been experimentally determined for the cross-radical reaction C2H5 + C2H3. These results have been extended by calculations. It is shown that the chemically activated combination adduct, 1-C4H8*, is either stabilized by bimolecular collisions or subject to a variety of unimolecular reactions including cyclizations and decompositions. Therefore the "apparent" combination/disproportionation ratio exhibits a complex pressure dependence. The experimental studies were performed at 298 K and at selected pressures between about 4 Torr (0.5 kPa) and 760 Torr (101 kPa). Ethyl and vinyl radicals were simultaneously produced by 193 nm excimer laser photolysis of C2H5COC2H3 or photolysis of C2H3Br and C2H5COC2H5. Gas chromatograph/mass spectrometry/flame ionization detection (GC/MS/FID) were used to identify and quantify the final reaction products. The major combination reactions at pressures between 500 (66.5 kPa) and 760 Torr are (1c) C2H5 + C2H3 yields 1-butene, (2c) C2H5 + C2H5 yields n-butane, and (3c) C2H3 + C2H3 yields 1,3-butadiene. The major products of the disproportionation reactions are ethane, ethylene, and acetylene. At moderate and lower pressures, secondary products, including propene, propane, isobutene, 2-butene (cis and trans), 1-pentene, 1,4-pentadiene, and 1,5-hexadiene are also observed. Two isomers of C4H6, cyclobutene and/or 1,2-butadiene, were also among the likely products. The pressure-dependent yield of the cross-combination product, 1-butene, was compared to the yield of n-butane, the combination product of reaction (2c), which was found to be independent of pressure over the range of this study. The [ 1-C4H8]/[C4H10] ratio was reduced from approx.1.2 at 760 Torr (101 kPa) to approx.0.5 at 100 Torr (13.3 kPa) and approx.0.1 at pressures lower than about 5 Torr (approx.0.7 kPa). Electronic structure and RRKM calculations were used to simulate both unimolecular and bimolecular processes. The relative importance

  8. Combined application of neutron and synchrotron radiation for investigation of the influence of dimethyl sulfoxide on the structure and properties of the dipalmitoylphosphatidylcholine membrane

    SciTech Connect

    Kiselev, M. A.

    2007-05-15

    The influence of dimethyl sulfoxide (DMSO) on the structure and properties of the dipalmitoylphosphatidylcholine membrane was studied at positive temperatures by a combination of X-ray diffraction and small-angle neutron scattering. Penetration of DMSO molecules into the lipid membrane was found to depend on the mole fraction of DMSO in an aqueous solution, X{sub DMSO}. At X{sub DMSO} > 0.08 the SO group penetrates into the bilayer polar region, thus resulting in structural alterations. At X{sub DMSO} > 0.2 defects in the membrane surface are developed.

  9. Preliminary Investigation of a Conical Spike Inlet in Combination with a Vertical-wedge Auxiliary Inlet at Mach Number 1.9

    NASA Technical Reports Server (NTRS)

    Beke, Andrew; Allen, John L; Williams, Thomas

    1955-01-01

    Pressure-recovery characteristics of a nacelle-type-spike inlet in combination with a vertical-wedge auxiliary scoop are presented for a free-stream Mach number of 1.9 at zero angle of attack. The auxiliary scoop provided 17 percent additional air flow with a drop in critical pressure recovery from 0.86 to 0.81. However, in terms of inlet-engine matching, the pressure recovery of the undersized spike inlet operating at a specified corrected air flow increased with the scoop open, for example, from 0.69 to 0.81.

  10. p-Si(1 1 1):H/ionic liquid interface investigated through a combination of electrochemical measurements and reflection high energy electron diffraction surface analysis in vacuum

    NASA Astrophysics Data System (ADS)

    Watanabe, Ko; Maruyama, Shingo; Matsumoto, Yuji

    2016-07-01

    A combination study of electrochemical measurements and reflection high energy electron diffraction (RHEED) surface analysis experiments in a vacuum was first demonstrated to characterize a p-Si(1 1 1):H/ionic liquid interface. Mott-Schottky plot analysis was made to successfully not only evaluate the acceptor density and flat band potential of the p-Si(1 1 1):H, but also get some insight into its surface states. Furthermore, the electric double layer capacitance and specific adsorption properties at the IL/Si(1 1 1):H interface as well as the electrochemical interface stability will be discussed in this paper.

  11. An investigator-blinded, randomized study to compare the efficacy of combined CBT for alcohol use disorders and social anxiety disorder versus CBT focused on alcohol alone in adults with comorbid disorders: the Combined Alcohol Social Phobia (CASP) trial protocol

    PubMed Central

    2013-01-01

    Background Alcohol use disorders and social anxiety disorder are common and disabling conditions that frequently co-exist. Although there are efficacious treatments for each disorder, only two randomized controlled trials of interventions for these combined problems have been published. We developed a new integrated treatment for comorbid Social Anxiety Disorder and Alcohol Use Disorder based on established Motivational Interviewing (MI) and Cognitive Behaviour Therapy (CBT) interventions for the separate disorders. Compared to established MI/CBT for alcohol use disorders this new intervention is hypothesised to lead to greater reductions in symptoms of social anxiety and alcohol use disorder and to produce greater improvements in quality of life. Higher levels of alcohol dependence will result in relatively poorer outcomes for the new integrated treatment. Methods/design A randomised controlled trial comparing 9 sessions of individual integrated treatment for alcohol and social phobia with 9 sessions of treatment for alcohol use problems alone is proposed. Randomisation will be stratified for stable antidepressant use. Post treatment clinical assessments of alcohol consumption and diagnostic status at 3 and 6 month follow-up will be blind to allocation. Discussion The proposed trial addresses a serious gap in treatment evidence and could potentially define the appropriate treatment for a large proportion of adults affected by these problems. Trial registration Australian New Zealand Clinical Trials Registry: ACTRN12608000228381. PMID:23895258

  12. An investigator-blinded, randomized study to compare the efficacy of combined CBT for alcohol use disorders and social anxiety disorder versus CBT focused on alcohol alone in adults with comorbid disorders: the Combined Alcohol Social Phobia (CASP) trial protocol.

    PubMed

    Baillie, Andrew J; Sannibale, Claudia; Stapinski, Lexine A; Teesson, Maree; Rapee, Ronald M; Haber, Paul S

    2013-07-30

    Alcohol use disorders and social anxiety disorder are common and disabling conditions that frequently co-exist. Although there are efficacious treatments for each disorder, only two randomized controlled trials of interventions for these combined problems have been published. We developed a new integrated treatment for comorbid Social Anxiety Disorder and Alcohol Use Disorder based on established Motivational Interviewing (MI) and Cognitive Behaviour Therapy (CBT) interventions for the separate disorders. Compared to established MI/CBT for alcohol use disorders this new intervention is hypothesised to lead to greater reductions in symptoms of social anxiety and alcohol use disorder and to produce greater improvements in quality of life. Higher levels of alcohol dependence will result in relatively poorer outcomes for the new integrated treatment. A randomised controlled trial comparing 9 sessions of individual integrated treatment for alcohol and social phobia with 9 sessions of treatment for alcohol use problems alone is proposed. Randomisation will be stratified for stable antidepressant use. Post treatment clinical assessments of alcohol consumption and diagnostic status at 3 and 6 month follow-up will be blind to allocation. The proposed trial addresses a serious gap in treatment evidence and could potentially define the appropriate treatment for a large proportion of adults affected by these problems. Australian New Zealand Clinical Trials Registry: ACTRN12608000228381.

  13. Investigation of the synergistic effects for p-nitrophenol mineralization by a combined process of ozonation and electrolysis using a boron-doped diamond anode.

    PubMed

    Qiu, Cuicui; Yuan, Shi; Li, Xiang; Wang, Huijiao; Bakheet, Belal; Komarneni, Sridhar; Wang, Yujue

    2014-09-15

    Electrolysis and ozonation are two commonly used technologies for treating wastewaters contaminated with nitrophenol pollutants. However, they are often handicapped by their slow kinetics and low yields of total organic carbon (TOC) mineralization. To improve TOC mineralization efficiency, we combined electrolysis using a boron-doped diamond (BDD) anode with ozonation (electrolysis-O3) to treat a p-nitrophenol (PNP) aqueous solution. Up to 91% TOC was removed after 60 min of the electrolysis-O3 process. In comparison, only 20 and 44% TOC was respectively removed by individual electrolysis and ozonation treatment conducted under similar reaction conditions. The result indicates that when electrolysis and ozonation are applied simultaneously, they have a significant synergy for PNP mineralization. This synergy can be mainly attributed to (i) the rapid degradation of PNP to carboxylic acids (e.g., oxalic acid and acetic acid) by O3, which would otherwise take a much longer time by electrolysis alone, and (ii) the effective mineralization of the ozone-refractory carboxylic acids to CO2 by OH generated from multiple sources in the electrolysis-O3 system. The result suggests that combining electrolysis with ozonation can provide a simple and effective way to mutually compensate the limitations of the two processes for degradation of phenolic pollutants. Copyright © 2014 Elsevier B.V. All rights reserved.

  14. [Investigating mechanism of toxicity reduction by combination of Glycyrrhizae Radix et Rhizoma and Aconiti Lateralis Radix Preparata on terms of proteins self-assembly].

    PubMed

    Li, Bing-jie; Shen, Yong; Liao, Ri-tao; Gao, Guan-zhen; Ke, Li-jing; Zhou, Jian-wu; Rao, Ping-fan

    2015-02-01

    The combination of Glycyrrhizae Radix et Rhizoma and Aconiti Lateralis Radix Preparata can increase efficacy and decrease toxicity. This study started from the phenomena of protein self-assembly in the mixed decoction of Glycyrrhizae Radix et Rhizoma with Aconiti Lateralis Radix Preparata. The attenuated mechanism was explored between the combination of Glycyrrhizae Radix et Rhizoma and Aconiti Lateralis Radix Preparata by using the protein of Glycyrrhizae Radix et Rhizoma and aconitine which was the major toxic component of Aconiti Lateralis Radix Preparata. Glycyrrhizae Radix et Rhizoma protein with aconitine could form stable particles which particle mean diameter was (206.2 ± 2.02) nm and (238.20 ± 1.23) nm at pH 5.0 in normal temperature. Through the mouse acute toxicity experiment found that injection of aconitine monomer all mice were killed, and injection of Glycyrrhizae Radix et Rhizoma protein-aconitine particles with the same content of aconitine all mice survived. Survey the stability of Glycyrrhizae Radix et Rhizoma protein-aconitine shows that the colloid particles is stable at room temperature, and it has the possibility to candidate drug carrier. Glycyrrhizae Radix et Rhizoma protein can reduce the toxicity of aconitine through self-assembly.

  15. The crocidolite fibres interaction with human mesothelial cells as investigated by combining electron microscopy, atomic force and scanning near-field optical microscopy.

    PubMed

    Andolfi, Laura; Trevisan, Elisa; Zweyer, Marina; Prato, Stefano; Troian, Barbara; Vita, Francesca; Borelli, Violetta; Soranzo, Maria Rosa; Melato, Mauro; Zabucchi, Giuliano

    2013-03-01

    In this study, we have performed a morphological analysis of crocidolite fibres interaction with mesothelial cells (MET5A) by combining conventional electron microscopy with atomic force (AFM) and scanning near-field optical microscopy (SNOM). After 6-h exposure at a crocidolite dose of 5 μg cm(-2), 90% of MET5A cells interact with fibres that under these conditions have a low cytotoxic effect. SEM images point out that fibres can be either engulfed by the cells that lose their typical morphology or they can accumulate over or partially inside the cells, which preserve their typical spread morphology. By using AFM we are able to directly visualize the entry-site of nanometric-sized fibres at the plasma membrane of the spread mesothelial cells. More importantly, the crocidolite fibres that are observed to penetrate the plasma membrane in SNOM topography can be simultaneously followed beneath the cell surface in the SNOM optical images. The analysis of SNOM data demonstrates the entrance of crocidolite fibres in proximity of nuclear compartment, as observed also in the TEM images. Our findings indicate that the combination of conventional electron microscopy with novel nanoscopic techniques can be considered a promising approach to achieve a comprehensive morphological description of the interaction between asbestos fibres and mesothelial cells that represents the early event in fibre pathogenesis.

  16. A combined atomic force microscopy imaging and docking study to investigate the complex between p53 DNA binding domain and Azurin.

    PubMed

    Bizzarri, Anna Rita; Di Agostino, Silvia; Andolfi, Laura; Cannistraro, Salvatore

    2009-01-01

    The tumor suppressor p53 interacts with the redox copper protein Azurin (AZ) forming a complex which is of some relevance in biomedicine and cancer therapy. To obtain information on the spatial organization of this complex when it is immobilized on a substrate, we have used tapping mode-atomic force microscopy (TM-AFM) imaging combined with computational docking. The vertical dimension and the bearing volume of the DNA binding domain (DBD) of p53, anchored to functionalized gold substrate through exposed lysine residues, alone and after deposing AZ, have been measured by TM-AFM. By a computational docking approach, a three-dimensional model for the DBD of p53, before and after addition of AZ, have been predicted. Then we have calculated the possible arrangements of these biomolecular systems on gold substrate by finding a good agreement with the related experimental distribution of the height. The potentiality of the approach combining TM-AFM imaging and computational docking for the study of biomolecular complexes immobilized on substrates is briefly discussed.

  17. The combination of analytical-scale HPLC separation with a TR-FRET assay to investigate JAK2 inhibitory compounds in a Boysenberry drink.

    PubMed

    McGhie, Tony K; Martin, Harry; Lunken, Rona C M

    2012-11-01

    We report the detection of JAK2 inhibitory activity in a Boysenberry (Rubus loganbaccus x R. baileyanus Britt.) drink using a combination of analytical-scale high performance liquid chromatography (HPLC) with a high-sensitivity time-resolved fluorescence coupled with fluorescence resonance energy transfer (TR-FRET) method. Phytochemical components of a Boysenberry drink were separated by reversed phase HPLC , and 84 separate fractions were collected. HPLC fractions corresponding to the ellagitannin and ellagic acid peaks observed in the chromatogram inhibited JAK2 activity. Anthocyanins, while they were the major phytochemical components of the Boysenberry drink, had no JAK2 inhibitory activity even though anthocyanins have previously been shown to be anti-inflammatory. This study demonstrates the usefulness of combining rapid analytical-scale HPLC separation with a highly sensitive fluorescence bioassay for characterising bioactivity in complex plant extracts. Ellagic acid was found to have an IC(50) of 92 nM against JAK2 and complete inhibition of JAK2 activity was observed in HPLC fractions of Boysenberry extract which had been diluted several hundred fold. To the best of our knowledge, this is the first demonstration that ellagitannins and other natural ellagic acid analogues are potent inhibitors of JAK2. Thus a drink containing Boysenberry juice concentrate may have anti-inflammatory properties.

  18. Design, development, and demonstration of a fully LabVIEW controlled in situ electrochemical Fourier transform infrared setup combined with a wall-jet electrode to investigate the electrochemical interface of nanoparticulate electrocatalysts under reaction conditions.

    PubMed

    Nesselberger, Markus; Ashton, Sean J; Wiberg, Gustav K H; Arenz, Matthias

    2013-07-01

    We present a detailed description of the construction of an in situ electrochemical ATR-FTIR setup combined with a wall-jet electrode to investigate the electrocatalytic properties of nanoparticulate catalysts in situ under controlled mass transport conditions. The presented setup allows the electrochemical interface to be probed in combination with the simultaneous determination of reaction rates. At the same time, the high level of automation allows it to be used as a standard tool in electrocatalysis research. The performance of the setup was demonstrated by probing the oxygen reduction reaction on a platinum black catalyst in sulfuric electrolyte.

  19. Investigating infection processes with a workflow from organic chemistry to biophysics: the combination of metabolic glycoengineering, super-resolution fluorescence imaging and proteomics.

    PubMed

    Seibel, Jürgen; König, Simone; Göhler, Antonia; Doose, Sören; Memmel, Elisabeth; Bertleff, Nadja; Sauer, Markus

    2013-02-01

    Infectious diseases continue to be one of the major threats to public health. In the initial events of infection, glycoproteins of human cells interact with surface proteins of bacteria or viruses, the so-called environmental adhesins. In order to pinpoint the driving forces during infection, it is necessary to study the adhesive properties of human cell surface glycoproteins with regard to their primary amino acid sequence and post-translational modifications. The authors discuss how recent developments in seemingly independent fields of the natural sciences, bio-organic synthesis, biophysical visualization and bioanalysis, open the door for a promising interdisciplinary approach to study human infection processes. The use of special synthesized carbohydrate labels, in combination with new super-resolution imaging approaches, allows access to both mapping and identification of cell surface glycoproteins well below the diffraction limit. The methodology will clarify which surface molecules are involved in bacterial adherence with potential implications for bacterial and viral infection prevention.

  20. An investigation of the effects of separating pressure on the efficiency and the reliability of three-circuit combined-cycle power plants with steam reheating

    NASA Astrophysics Data System (ADS)

    Lukyanova, T. S.; Trukhniy, A. D.

    2012-04-01

    The authors discuss the influence of selection of the separating pressure in designing three-circuit combined-cycle power plants (CCPP) with steam reheating on their technical and economical characteristics. The changes occurring in steam flow rates in the circuits, as well as in the efficiency of the waste heat recovery boiler (WHRB), the dryness factor, heat drops, the capacity and the efficiency of the steam turbine cylinders, the efficiency of the steam turbine and the CCPP as a whole, with the changes in the separating pressure, have been analyzed. It has been shown that the optimum separating pressure for the steam-power cycle with subcritical steam conditions ranges from 2.0 to 2.5 MPa.

  1. Investigation of the fine structure around the copper site in copper/zinc superoxide dismutase by XANES combined with ab initio calculations

    NASA Astrophysics Data System (ADS)

    Wang, Yu; Jin, Sheng; Li, Jiong; Zhou, Jing; Zhang, Linjuan; Wang, Jianqiang; Zhang, Shuo; Wei, Xiangjun; Jiang, Zheng; Huang, Yuying; Cui, Peixin; Zhao, Haifeng; Chu, Wangsheng

    2017-08-01

    Copper/zinc superoxide dismutase (CuZnSOD) is an important enzyme that plays a crucial role in protecting oxygen-metabolizing cells against harmful effects of superoxide free-radicals. In this work, the three-dimensional local structure around the copper-binding site in pH 7.0 buffer solution was determined using X-ray absorption near-edge spectroscopy (XANES) combined with ab initio calculations in the framework of the multiple-scattering theory performed by MXAN. Extremely accurate bond distances and bond angle information between ligands were returned. The result confirmed that the copper ion binds four conserved His residues and a water molecule in CuZnSOD and prefers a five-coordinated in a distorted square pyramidal geometry.

  2. Mushroom tyrosinase: A model system to combine experimental investigation of enzyme-catalyzed reactions, data handling using R, and enzyme-inhibitor structural studies.

    PubMed

    Nairn, Robert; Cresswell, Will; Nairn, Jacqueline

    2015-01-01

    The activity of mushroom tyrosinase can be measured by monitoring the conversion of phenolic compounds into quinone derivatives using spectrophotometry. This article describes a series of experiments which characterize the functional properties of tyrosinase, the analysis of the resulting data using R to determine the kinetic parameters, and the exploration of the structural properties of tyrosinase-inhibitor complexes. Tyrosinase assay development and subsequent activity measurements, in the presence of varying pH, substrate concentration and inhibitors, offers the opportunity to learn the enzyme characterization skills relevant to a research laboratory setting. Combining the activity studies with an exploration of the nature of the tyrosinase-inhibitor interactions enables a structural understanding of the experimental observations. © 2015 The International Union of Biochemistry and Molecular Biology.

  3. An investigation of ionospheric upper transition height variations at low and equatorial latitudes deduced from combined COSMIC and C/NOFS measurements

    NASA Astrophysics Data System (ADS)

    Yang, Changjun; Zhao, Biqiang; Zhu, Jie; Yue, Xinan; Wan, Weixing

    2017-10-01

    In this study we propose the combination of topside in-situ ion density data from the Communication/Navigation Outage Forecast System (C/NOFS) along with the electron density profile measurement from Constellation Observing System for Meteorology, Ionosphere & Climate (COSMIC) satellites Radio Occultation (RO) for studying the spatial and temporal variations of the ionospheric upper transition height (hT) and the oxygen ion (O+) density scale height. The latitudinal, local time and seasonal distributions of upper transition height show more consistency between hT re-calculated by the profile of the O+ using an α-Chapman function with linearly variable scale height and that determined from direct in-situ ion composition measurements, than with constant scale height and only the COSMIC data. The discrepancy in the values of hT between the C/NOFS measurement and that derived by the combination of COSMIC and C/NOFS satellites observations with variable scale height turns larger as the solar activity decreases, which suggests that the photochemistry and the electrodynamics of the equatorial ionosphere during the extreme solar minimum period produce abnormal structures in the vertical plasma distribution. The diurnal variation of scale heights (Hm) exhibits a minimum after sunrise and a maximum around noon near the geomagnetic equator. Further, the values of Hm exhibit a maximum in the summer hemisphere during daytime, whereas in the winter hemisphere the maximum is during night. Those features of Hm consistently indicate the prominent role of the vertical electromagnetic (E × B) drift in the equatorial ionosphere.

  4. An investigation of ionospheric upper transition height variations at low and equatorial latitudes deduced from combined COSMIC and C/NOFS measurements

    NASA Astrophysics Data System (ADS)

    Zhao, Biqiang

    2017-04-01

    In this study we propose the combination of topside in-situ ion density data from the Communication/Navigation Outage Forecast System (C/NOFS) along with the electron density profile measurement from Constellation Observing System for Meteorology, Ionosphere & Climate (COSMIC) satellites Radio Occultation (RO) for studying the spatial and temporal variations of the ionospheric upper transition height (hT) and the oxygen ion (O+) density scale height. The latitudinal, local time and seasonal distributions of upper transition height show more consistency between hT re-calculated by the profile of the O+ using an a-Chapman function with linearly variable scale height and that determined from direct in-situ ion composition measurements, than with constant scale height and only the COSMIC data. The discrepancy in the values of hT between the C/NOFS measurement and that derived by the combination of COSMIC and C/NOFS satellites observations with variable scale height turns larger as the solar activity decreases, which suggests that the photochemistry and the electrodynamics of the equatorial ionosphere during the extreme solar minimum period produce abnormal structures in the vertical plasma distribution. The diurnal variation of scale heights (Hm) exhibits a minimum after sunrise and a maximum around noon near the geomagnetic equator. Further, the values of Hm exhibit a maximum in the summer hemisphere during daytime, whereas in the winter hemisphere the maximum is during night. Those features of Hm consistently indicate the prominent role of the vertical electromagnetic (E×B) drift in the equatorial ionosphere.

  5. The Effect of ACL Reconstruction on Kinematics of the Knee with Combined ACL Injury and Subtotal Medial Meniscectomy - an in-vitro robotic investigation

    PubMed Central

    Seon, Jong Keun; Gadikota, Hemanth R.; Kozanek, Michal; Oh, Luke S.; Gill, Thomas J.; Li, Guoan

    2009-01-01

    Purpose The aims of this study were to determine: 1) the kinematic effect of subtotal medial meniscectomy on ACL deficient knee and 2) the effect of ACL reconstruction on kinematics of the knee with combined ACL deficiency and subtotal medial meniscectomy under an anterior tibial and a simulated quadriceps loads. Methods Eight human cadaveric knees were sequentially tested using a robotic testing system under 4 conditions: intact, ACL deficiency, ACL deficiency with subtotal medial meniscectomy, and single bundle ACL reconstruction using a bone-patellar tendon-bone graft. Knee kinematics were measured at 0°, 15°, 30°, 60°, and 90° of flex ion under an anterior tibial load of 130 N and a quadriceps muscle load of 400 N. Results Subtotal medial meniscectomy in ACL deficient knee significantly increased anterior and lateral tibial translations under the anterior tibial and quadriceps loads (P < 0.05). These kinematic changes were larger at high flexion (≥ 60°) than at low flexion angles. ACL reconstructio n in knees with ACL deficiency and subtotal medial meniscectomy significantly reduced the increased anterior tibial translation, but could not restore anterior translation to the intact level with differences ranging from 2.6 mm at 0° to 5.5 mm at 30° of flexion. ACL reconstruction did not significantly affect the medial-lateral translation and internal-external tibial rotation in the presence of subtotal meniscectomy. Conclusions Subtotal medial meniscectomy in knees with ACL deficiency altered knee kinematics, especially at high flexion angles. ACL reconstruction significantly reduced the increased tibial translation in knees with combined ACL deficiency and subtotal medial meniscectomy, but could not restore the knee kinematics to the intact knee level. Clinical Relevance This study suggests that meniscus is an important secondary stabilizer against anterior and lateral tibial translations and should be preserved in the setting of ACL reconstruction for

  6. The effect of anterior cruciate ligament reconstruction on kinematics of the knee with combined anterior cruciate ligament injury and subtotal medial meniscectomy: an in vitro robotic investigation.

    PubMed

    Seon, Jong Keun; Gadikota, Hemanth R; Kozanek, Michal; Oh, Luke S; Gill, Thomas J; Li, Guoan

    2009-02-01

    The aims of this study were to determine: (1) the kinematic effect of subtotal medial meniscectomy on the anterior cruciate ligament (ACL)-deficient knee and (2) the effect of ACL reconstruction on kinematics of the knee with combined ACL deficiency and subtotal medial meniscectomy under anterior tibial and simulated quadriceps loads. Eight human cadaveric knees were sequentially tested using a robotic testing system under 4 conditions: intact, ACL deficiency, ACL deficiency with subtotal medial meniscectomy, and single-bundle ACL reconstruction using a bone-patellar tendon-bone graft. Knee kinematics were measured at 0 degrees, 15 degrees, 30 degrees, 60 degrees, and 90 degrees of flexion under an anterior tibial load of 130 N and a quadriceps muscle load of 400 N. Subtotal medial meniscectomy in the ACL-deficient knee significantly increased anterior and lateral tibial translations under the anterior tibial and quadriceps loads (P < .05). These kinematic changes were larger at high flexion (>or=60 degrees) than at low flexion angles. ACL reconstruction in knees with ACL deficiency and subtotal medial meniscectomy significantly reduced the increased anterior tibial translation, but could not restore anterior translation to the intact level with differences ranging from 2.6 mm at 0 degrees to 5.5 mm at 30 degrees of flexion. ACL reconstruction did not significantly affect the medial-lateral translation and internal-external tibial rotation in the presence of subtotal meniscectomy. Subtotal medial meniscectomy in knees with ACL deficiency altered knee kinematics, especially at high flexion angles. ACL reconstruction significantly reduced the increased tibial translation in knees with combined ACL deficiency and subtotal medial meniscectomy, but could not restore the knee kinematics to the intact knee level. This study suggests that meniscus is an important secondary stabilizer against anterior and lateral tibial translations and should be preserved in the setting of

  7. Investigations into the application of a combination of bioventing and biotrickling filter technologies for soil decontamination processes--a transition regime between bioventing and soil vapour extraction.

    PubMed

    Magalhães, S M C; Ferreira Jorge, R M; Castro, P M L

    2009-10-30

    Bioventing has emerged as one of the most cost-effective in situ technologies available to address petroleum light-hydrocarbon spills, one of the most common sources of soil pollution. However, the major drawback associated with this technology is the extended treatment time often required. The present study aimed to illustrate how an intended air-injection bioventing technology can be transformed into a soil vapour extraction effort when the air flow rates are pushed to a stripping mode, thus leading to the treatment of the off-gas resulting from volatilisation. As such, a combination of an air-injection bioventing system and a biotrickling filter was applied for the treatment of contaminated soil, the latter aiming at the treatment of the emissions resulting from the bioventing process. With a moisture content of 10%, soil contaminated with toluene at two different concentrations, namely 2 and 14 mg g soil(-1), were treated successfully using an air-injection bioventing system at a constant air flow rate of ca. 0.13 dm(3) min(-1), which led to the removal of ca. 99% toluene, after a period of ca. 5 days of treatment. A biotrickling filter was simultaneously used to treat the outlet gas emissions, which presented average removal efficiencies of ca. 86%. The proposed combination of biotechnologies proved to be an efficient solution for the decontamination process, when an excessive air flow rate was applied, reducing both the soil contamination and the outlet gas emissions, whilst being able to reduce the treatment time required by bioventing only.

  8. Investigation of Coupled Surface and Bulk Reaction Phenomena Using Combined-Backscatter-Conversion Electron and Backscatter-Photon Mossbauer Spectroscopy (CEAPS)

    DTIC Science & Technology

    1988-08-30

    Electron and Backscatter-Photon Mossbauer Soec roscopv ( CEAPS ) 12. PERSONAL AUTHOR(S) -Dr. Bruce J. Tatarchuk. Department of ChemicallEgnern 13a. TYPE...AVAILABILITY OF ABSTRACT 21. ABSTRACT SECURITY CLASSIFICATION OUNCLASSIFIEDi’UNLIMITEO PJ SAME AS RPT. 0 OTIC USERS Unclassified 22a. NAME OF RESPONSIBLE...obsolete. SECURITY CLASSIFICATION OF THIS PAGE 7 88 1Q11 54 ,. .6 A.8 8- 111 4 COMPLETED PROJECT SUMMARY TITLE: Investigation of Coupled Surface and

  9. Combined long term monitoring approach to investigate flow fields and changes in floodplain geomorphology using stationary ADCPs, sediment traps and geodetic surveys

    NASA Astrophysics Data System (ADS)

    Bölscher, Jens; Schulte, Achim

    2017-04-01

    The success of plans and measures to restore floodplains and designate new flood retention areas for rivers depends on a fundamental understanding of the boundary conditions during flood events. Hydraulic conditions interact directly with vegetation and morphology and have a decisive impact on sedimentation and erosion. While the technical development of numerical and physical modelling of floodplain hydraulics has made a great progress during the last decades, up till now field investigations during flood events and for several years are very seldom. In this context, changes in geomorphology and the impact of different types of vegetation structures on the flow field has been systematically studied over a period of several years at floodplain sites of the Upper Rhine. Using sediment traps and geodetic surveys, yearly and spatial changes of sedimentation and erosion as well as the evolution of floodplain geomorphology could be investigated over a period of nine years. Besides this, the overall aim of this investigation was to carry out in situ flow velocity measurements during entire flood events to get better information about the evolution of hydraulics under different conditions and to understand under which circumstances erosion and sedimentation take place at typical riparian vegetation sites. The decisive impact of vegetation on hydraulics was monitored online via remote control for several flood events with two Acoustic Doppler Current Profilers which were mounted at the floodplain bottom. The design of experiment allows comparative studies of flow fields under the influence of different types of riparian vegetation and under non-stationary conditions, for longer periods and with respect to differences in the flow field caused by willows and grass. After completion of the installation in 2001, several investigations were carried out since then. Concerning the results of this experimental design, particular importance is attached to describing and comparing

  10. [To investigate the safety and efficacy of indocyanine green-assisted vitrectomy combined with internal limiting membrane peeling for treatment of idiopathic macular epiretinal membranes].

    PubMed

    Shi, Xiang; Sun, Xiaodong

    2016-05-01

    To observe the efficacy of indocyanine green-assisted vitrectomy combined with internal limiting membrane peeling for treatment of idiopathic macular epiretinal membranes(IMEM). Retrospectively studied 60 patients with IMEM who all underwent the surgery of vitrectomy combined with internal limiting membrane peeling from 2011 to 2013. Best corrected visual acuity (BCVA), intraocular pressure(NCT), slit-lamp examination, fundus photography, optical coherence tomography (OCT) were committed. Patients were followed for 6 months. They were divided into two groups according to whether indocyanine green(ICG) was used or not with 32 members in ICG group and 28 members in none ICG group. They were divided into two groups according to the intergrity or disruption of the ellipsoid zone (EZ band) with 26 members in EZ band intergrity group and 34 members in EZ band disruption group. Age ranged from 28 to 79 years and the average age was 60.3 ± 10.9. Twenty-five males and 35 females were included. Twenty-five left eyes and 35 right eyes were incorporate. Among the 60 patients, 38 cases (63.33%) underwent visual acuity improvement after operation(BCVA improved at least 2 rows) and 21 (35%)patients' vision remained the same(BCVA changes less than 2 rows), while only one patient(1.67%) experienced decreased visual acuity(BCVA decline at least 2 rows). Average best corrected visual acuity (BCVA) (LogMar)and central retina thickness(CRT) (μm)of all patients preoperationwere 0.85 ± 0.44 and 578.45±144.61 respectively, which were 0.57±0.40 , 466.31±87.80 for one month and 0.54±0.42, 442.33± 98.92 three and six months postoperation(P<0.05). Compared to group of disruption EZ band, the BCVA of group of integral EZ band was better(P<0.05). 15 of 26 members in group of integral EZ band came up with EZ band cells loss in one month after operation and recovered by three or six months later. There was no statistical significance in BCVA and CRT between ICG group and none ICG group

  11. Combined use of computed tomography and the lattice-Boltzmann method to investigate the influence of pore geometry of porous media on the permeability tensor

    NASA Astrophysics Data System (ADS)

    Striblet, J. C.; Rush, L.; Floyd, M.; Porter, M. L.; Al-Raoush, R. I.

    2011-12-01

    The objective of this work was to investigate the impact of pore geometry of porous media on the permeability tensor. High-resolution, three-dimensional maps of natural sand systems, comprising a range of grain sizes and shapes were obtained using Synchrotron microtomography. The lattice-Boltzmann (LB) method was used to simulate saturated flow through these packs to characterize the impact of particle shape on the permeability tensor. LB computations of permeability tensor and their dependency on the internal structure of porous media will be presented and discussed.

  12. Combining self-organizing mapping and supervised affinity propagation clustering approach to investigate functional brain networks involved in motor imagery and execution with fMRI measurements.

    PubMed

    Zhang, Jiang; Liu, Qi; Chen, Huafu; Yuan, Zhen; Huang, Jin; Deng, Lihua; Lu, Fengmei; Zhang, Junpeng; Wang, Yuqing; Wang, Mingwen; Chen, Liangyin

    2015-01-01

    Clustering analysis methods have been widely applied to identifying the functional brain networks of a multitask paradigm. However, the previously used clustering analysis techniques are computationally expensive and thus impractical for clinical applications. In this study a novel method, called SOM-SAPC that combines self-organizing mapping (SOM) and supervised affinity propagation clustering (SAPC), is proposed and implemented to identify the motor execution (ME) and motor imagery (MI) networks. In SOM-SAPC, SOM was first performed to process fMRI data and SAPC is further utilized for clustering the patterns of functional networks. As a result, SOM-SAPC is able to significantly reduce the computational cost for brain network analysis. Simulation and clinical tests involving ME and MI were conducted based on SOM-SAPC, and the analysis results indicated that functional brain networks were clearly identified with different response patterns and reduced computational cost. In particular, three activation clusters were clearly revealed, which include parts of the visual, ME and MI functional networks. These findings validated that SOM-SAPC is an effective and robust method to analyze the fMRI data with multitasks.

  13. A ray of venom: Combined proteomic and transcriptomic investigation of fish venom composition using barb tissue from the blue-spotted stingray (Neotrygon kuhlii).

    PubMed

    Baumann, Kate; Casewell, Nicholas R; Ali, Syed A; Jackson, Timothy N W; Vetter, Irina; Dobson, James S; Cutmore, Scott C; Nouwens, Amanda; Lavergne, Vincent; Fry, Bryan G

    2014-09-23

    Fish venoms remain almost completely unstudied despite the large number of species. In part this is due to the inherent nature of fish venoms, in that they are highly sensitive to heat, pH, lyophilisation, storage and repeated freeze-thawing. They are also heavily contaminated with mucus, which makes proteomic study difficult. Here we describe a novel protein-handling protocol to remove mucus contamination, utilising ammonium sulphate and acetone precipitation. We validated this approach using barb venom gland tissue protein extract from the blue-spotted stingray Neotrygon kuhlii. We analysed the protein extract using 1D and 2D gels with LC-MS/MS sequencing. Protein annotation was underpinned by a venom gland transcriptome. The composition of our N. kuhlii venom sample revealed a variety of protein types that are completely novel to animal venom systems. Notably, none of the detected proteins exhibited similarity to the few toxin components previously characterised from fish venoms, including those found in other stingrays. Putative venom toxins identified here included cystatin, peroxiredoxin and galectin. Our study represents the first combined survey of gene and protein composition from the venom apparatus of any fish and our novel protein handling method will aid the future characterisation of toxins from other unstudied venomous fish lineages. These results show an efficient manner for removing mucus from fish venoms. These results are the first insights into the evolution of proteins present on stingrayvenom barbs. Copyright © 2014 Elsevier B.V. All rights reserved.

  14. Altered hub configurations within default mode network following acupuncture at ST36: a multimodal investigation combining fMRI and MEG.

    PubMed

    You, Youbo; Bai, Lijun; Dai, Ruwei; Cheng, Hao; Liu, Zhenyu; Wei, Wenjuan; Tian, Jie

    2013-01-01

    Acupuncture, an externally somatosensory stimulation in the Traditional Chinese Medicine, has been proposed about its modulations on the brain's default mode network (DMN). However, it is still unknown on how the internal brain resting networks are modulated and what inferences can be made about the physiological processes underlying these changes. Combining high spatial resolution of functional magnetic resonance imaging (fMRI) with high temporal resolution of magnetoencephalography (MEG), in the current multimodal study, we sought to explore spatiotemporally whether or not band-specific DMN hub configurations would be induced by verum acupuncture, compared with sham control. Spatial independent component analysis was applied to fMRI data, followed by the discrete regional sources seeded into MEG data. Partial correlation analysis was further adopted to estimate the intrinsic functional connectivity and network hub configurations. One of the most striking findings is that the posterior cingulate cortex is not only validated as a robust DMN hub, but served as a hub only within the delta and gamma bands following the verum acupuncture, compared with its consistently being a DMN hub in sham control group. Our preliminary results may provide a new perspective to lend support for the specificity of neural mechanism underlying acupuncture.

  15. Effect-directed investigation and interactive effect of organic toxicants in landfill leachates combining Microtox test with RP-HPLC fractionation and GC/MS analysis.

    PubMed

    Lei, Lei; Aoyama, Isao

    2010-10-01

    Landfill leachates contain a large amount of unknown harmful compounds derived from domestic and industrial sources. A toxicity effect-directed approach was used to identify biologically active compounds in three landfill leachate samples (S1-S3) by combining the Microtox test with reverse-phase high performance liquid chromatography (RP-HPLC) fractionation and gas chromatography/mass spectrometry (GC/MS) analysis. Organic toxicants were recovered from coarse fractions only in S1 and in S2. Fine fractionation exhibited a somewhat different toxicity pattern in S1 and S2. GC/MS analysis positively identified Bisphenol A (BPA) and 4-t-butylphenol (4-t-BP) in both samples, N-ethyltoluenesulfoneamide (NETSA) was detected only in S1. However, their concentrations were not high enough to be responsible for the observed toxicity in original samples. A synergistic effect among detected organic compounds (BPA, NETSA, and 4-t-BP) was demonstrated. Each compound present at 1/7 of its individual EC(50), might lead to undesirable mixture toxicity, which indicated that interactive effects may, to a certain extent, play a role in landfill leachates with complex matrices. The results from further hydrophobicity analysis and estrogen receptor (ER) competitive binding assays of fraction 13 of both samples gave evidence that some possible toxicants that failed to be identified by GC/MS might be endocrine disrupting chemical(s) (EDC) with a log K (ow) range of 3.5-3.7 in both samples.

  16. Investigation of Chemical Exchange at Intermediate Exchange Rates using a Combination of Chemical Exchange Saturation Transfer (CEST) and Spin-Locking methods (CESTrho)

    PubMed Central

    Kogan, Feliks; Singh, Anup; Cai, Keija; Haris, Mohammad; Hariharan, Hari; Reddy, Ravinder

    2011-01-01

    Proton exchange imaging is important as it allows for visualization and quantification of the distribution of specific metabolites with conventional MRI. Current exchange mediated MRI methods suffer from poor contrast as well as confounding factors that influence exchange rates. In this study we developed a new method to measure proton exchange which combines chemical exchange saturation transfer (CEST) and T1ρ magnetization preparation methods (CESTrho). We demonstrated that this new CESTrho sequence can detect proton exchange in the slow to intermediate exchange regimes. It has a linear dependence on proton concentration which allows it to be used to quantitatively measure changes in metabolite concentration. Additionally, the magnetization scheme of this new method can be customized to make it insensitive to changes in exchange rate while retaining its dependency on solute concentration. Finally, we showed the feasibility of using CESTrho in vivo. This sequence is able to detect proton exchange at intermediate exchange rates and is unaffected by the confounding factors that influence proton exchange rates thus making it ideal for the measurement of metabolites with exchangeable protons in this exchange regime. PMID:22009759

  17. Investigation of retinal microstructure in healthy eyes and dry age-related macular degeneration using a combined AO-OCT-SLO system

    NASA Astrophysics Data System (ADS)

    Wells-Gray, Elaine M.; Choi, Stacey S.; Ohr, Matthew; Cebulla, Colleen M.; Doble, Nathan

    2017-02-01

    Combined adaptive optics (AO) optical coherence tomography (OCT) scanning laser ophthalmoscopy (SLO) imaging allows simultaneous en face and cross sectional views of the retina. We describe improvements to our AO-OCT-SLO system and highlight its resolution capability and clinical utility by presenting results from 3 control and 4 dry agerelated macular degeneration (AMD) subjects. From a group of subjects with healthy eyes, OCT A-scans were grouped as originating from cones or rods and were averaged. The resulting reflectance profiles were then used to identify the location of cone and rod segments. Results for rods and cones were compared, with the focus on inner segment (IS) and outer segment (OS) structures and where these cells embed into the retinal pigment epithelium (RPE). In the AMD patients, cone IS and OS lengths were measured over and around drusen for two retinal regions (fovea-2° and 2°-4°), and those results were correlated to drusen height. For the fovea-2° region, the drusen height that caused statistically significant shortening of cone ISL and OSL compared to the unaffected adjacent area were 40 μm and 50 μm respectively (p = 0.009, and p < 0.001, respectively). For the 2°-4° region, the equivalent drusen heights that caused significant shortening of segment length were 60 μm for IS (p = 0.017) and 80 μm for OS (p < 0.001)

  18. A Review of the Combination of Experimental Measurements and Fibril-Reinforced Modeling for Investigation of Articular Cartilage and Chondrocyte Response to Loading

    PubMed Central

    Wilson, Wouter; Isaksson, Hanna; Jurvelin, Jukka S.; Herzog, Walter; Korhonen, Rami K.

    2013-01-01

    The function of articular cartilage depends on its structure and composition, sensitively impaired in disease (e.g. osteoarthritis, OA). Responses of chondrocytes to tissue loading are modulated by the structure. Altered cell responses as an effect of OA may regulate cartilage mechanotransduction and cell biosynthesis. To be able to evaluate cell responses and factors affecting the onset and progression of OA, local tissue and cell stresses and strains in cartilage need to be characterized. This is extremely challenging with the presently available experimental techniques and therefore computational modeling is required. Modern models of articular cartilage are inhomogeneous and anisotropic, and they include many aspects of the real tissue structure and composition. In this paper, we provide an overview of the computational applications that have been developed for modeling the mechanics of articular cartilage at the tissue and cellular level. We concentrate on the use of fibril-reinforced models of cartilage. Furthermore, we introduce practical considerations for modeling applications, including also experimental tests that can be combined with the modeling approach. At the end, we discuss the prospects for patient-specific models when aiming to use finite element modeling analysis and evaluation of articular cartilage function, cellular responses, failure points, OA progression, and rehabilitation. PMID:23653665

  19. DPT tautomerisation of the G·A(syn) and A*·G*(syn) DNA mismatches: a QM/QTAIM combined atomistic investigation.

    PubMed

    Brovarets', Ol'ha O; Hovorun, Dmytro M

    2014-05-21

    By applying a combined QM and QTAIM atomistic computational approach we have established for the first time that the G·A(syn) and A*·G*(syn) DNA mismatches (rare tautomers are marked with an asterisk), causing spontaneous transversions with substantially various probabilities, radically differ from each other in their ability to tautomerise through the double proton transfer (DPT). The A*·G*(syn) mismatch tautomerises quite easily (ΔΔG(TS) ≈ 4·kT at room temperature) into the A·G*(syn) mismatch through the asynchronous concerted mechanism, whereas the G·A(syn) base mispair does not tautomerise via the DPT at all, since there is no local minimum corresponding to the tautomerised G*·A*(syn) mismatch on the potential energy surface. It was established that the A·G*(syn) base mispair is a dynamically unstable H-bonded complex with an extremely short lifetime of 2.17 × 10(-13) s. Consequently, the obtained results allow us to believe that spontaneous or forced dissociation of both the G·A(syn) and A*·G*(syn) DNA mismatches by the DNA-polymerase occurs with the preservation of the tautomeric status of the bases.

  20. Combining self-organizing mapping and supervised affinity propagation clustering approach to investigate functional brain networks involved in motor imagery and execution with fMRI measurements

    PubMed Central

    Zhang, Jiang; Liu, Qi; Chen, Huafu; Yuan, Zhen; Huang, Jin; Deng, Lihua; Lu, Fengmei; Zhang, Junpeng; Wang, Yuqing; Wang, Mingwen; Chen, Liangyin

    2015-01-01

    Clustering analysis methods have been widely applied to identifying the functional brain networks of a multitask paradigm. However, the previously used clustering analysis techniques are computationally expensive and thus impractical for clinical applications. In this study a novel method, called SOM-SAPC that combines self-organizing mapping (SOM) and supervised affinity propagation clustering (SAPC), is proposed and implemented to identify the motor execution (ME) and motor imagery (MI) networks. In SOM-SAPC, SOM was first performed to process fMRI data and SAPC is further utilized for clustering the patterns of functional networks. As a result, SOM-SAPC is able to significantly reduce the computational cost for brain network analysis. Simulation and clinical tests involving ME and MI were conducted based on SOM-SAPC, and the analysis results indicated that functional brain networks were clearly identified with different response patterns and reduced computational cost. In particular, three activation clusters were clearly revealed, which include parts of the visual, ME and MI functional networks. These findings validated that SOM-SAPC is an effective and robust method to analyze the fMRI data with multitasks. PMID:26236217

  1. Combined theoretical and time-resolved photoluminescence investigations of [Mo₆Brⁱ₈Br(a)₆]²⁻ metal cluster units: evidence of dual emission.

    PubMed

    Costuas, K; Garreau, A; Bulou, A; Fontaine, B; Cuny, J; Gautier, R; Mortier, M; Molard, Y; Duvail, J-L; Faulques, E; Cordier, S

    2015-11-21

    The combined time-resolved photoluminescence (PL) and theoretical study performed on luminescent [Mo6Br(i)8Br(a)6](2-)-based systems unambiguously shows that their NIR-luminescence is due to at least two emissive states. By quantum chemical studies, we show for the first time that important geometrical relaxations occur at the triplet states either by the outstretching of an apex away from the square plane of the Mo6 octahedron or by the elongation of one Mo-Mo bond. Experimental PL measurements demonstrate that the external environment (counter-ions, crystal packing) of the cluster has a noticeable impact on its relaxation processes. Temperature and excitation wavelength dependence of the two components of the luminescence spectra is representative of multiple competitive de-excitation processes in contradiction with Kasha's rule. Our results also demonstrate that the relaxation processes before and after emission can be tracked via fast time-resolved spectroscopy. They also show that the surroundings of the luminescent cluster unit and the excitation wavelength could be modulated for target applications.

  2. Solvation Mechanism of Task-Specific Ionic Liquids in Water: A Combined Investigation Using Classical Molecular Dynamics and Density Functional Theory.

    PubMed

    Yuvaraj, Surya V J; Zhdanov, Ravil K; Belosludov, Rodion V; Belosludov, Vladimir R; Subbotin, Oleg S; Kanie, Kiyoshi; Funaki, Kenji; Muramatsu, Atsushi; Nakamura, Takashi; Kawazoe, Yoshiyuki

    2015-10-08

    The solvation behavior of task-specific ionic liquids (TSILs) containing a common, L-histidine derived imidazolium cation [C20H28N3O3](+) and different anions, bromide-[Br](-) and bis(trifluoromethylsulfonyl)amide-[NTF2](-), in water is examined, computationally. These amino acid functionalized ionic liquids (ILs) are taken into account because of their ability to react with rare earth metal salts. It has been noted that the TSIL with [Br](-) is more soluble than its counterpart TSIL with [NTF2](-), experimentally. In this theoretical work, the combined classical molecular dynamics (CMD) and density functional theory (DFT) calculations are performed to study the behavior of the bulk phase of these two TSILs in the vicinity of water (H2O) molecules with different concentrations. Initially, all the constructed systems are equilibrated using the CMD method. The final structures of the equilibrated systems are extracted for DFT calculations. Under CMD operation, the radial distribution function (RDF) plots and viscosity of TSILs are analyzed to understand the effect of water on TSILs. In the DFT regime, binding energy per H2O, charge transfer, charge density mapping, and electronic density of states (EDOS) analyses are done. The CMD results along with the DFT results are consolidated to support the hydrophilic and hydrophobic nature of the TSILs. Interestingly, we have found a strong correlation between the viscosity and the EDOS results that leads to an understanding of the hydration properties of the TSILs.

  3. Combining ocean numerical model and SAR imagery to investigate the occurrence of oil pollution, a case study for the Java Sea

    NASA Astrophysics Data System (ADS)

    Setiawan, A.; Putri, M. R.; Gade, M.; Pohlmann, T.; Mayer, B.

    2017-01-01

    IndoNACE is an abbreviation of Indo nesian Seas N umerical A ssessment of the C oastal E nvironment, a pilot study between Indonesia and Germany that combining analysis of oil spills from SAR images and numerical tracer studies from 3-D numerical model. Aim of this study is to understand the observed seasonal variations in marine oil pollution. Within this study, a visual inspection of all available SAR images is performed in order to generate maps of oil pollution occurrence in the Java Sea. Afterward, a set of numerical models is applied to trace back the origin of oil pollution. Our results showed that by analysing 706 ENVISAT ASAR images, the highest number of oil spills occurrence in the Java Sea was found during the transition monsoons, i.e. March to May and September to November. Assuming Marine Protected Area (MPA) of Seribu Islands as the end position of oil trajectory, we found that the origins of oil pollutions in that area were mostly from north and east.

  4. The development of a combined b-mode, ARFI, and spectral Doppler ultrasound imaging system for investigating cardiovascular stiffness and hemodynamics

    NASA Astrophysics Data System (ADS)

    Doherty, Joshua R.; Dumont, Douglas M.; Trahey, Gregg E.

    2011-03-01

    The progression of atherosclerotic disease, caused by the formation of plaques within arteries, is a complex process believed to be a function of the localized mechanical properties and hemodynamic loading associated with the arterial wall. It is hypothesized that measurements of vascular stiffness and wall-shear rate (WSR) may provide important information regarding vascular remodeling, endothelial function, and the growth of soft-lipid filled plaques that could help a clinician better diagnose a patient's risk of clinical events such as stroke. To that end, the approach taken in this work was to combine conventional B-mode, Acoustic Radiation Force Impulse (ARFI), Shear Wave Elasticity Imaging (SWEI), and spectral Doppler techniques into a single imaging system capable of simultaneously measuring the tissue displacements and WSR throughout the cardiac cycle and over several heartbeats. Implemented on a conventional scanner, the carotid arteries of human subjects were scanned to demonstrate the initial in vivo feasibility of the method. Two non-invasive ultrasound based imaging methods, SAD-SWEI and SAD-Gated Imaging, were developed that measure ARF-induced on-axis tissue displacements, off-axis transverse wave velocities, and WSR throughout the cardiac cycle. Human carotid artery scans were performed in vivo on 5 healthy subjects. Statistical differences were observed in both on-axis proximal wall displacements and transverse wave velocities during diastole compared to systole.

  5. Effect of water content on thermal oxidation of oleic acid investigated by combination of EPR spectroscopy and SPME-GC-MS/MS.

    PubMed

    Chen, Hongjian; Cao, Peirang; Li, Bo; Sun, Dewei; Wang, Yong; Li, Jinwei; Liu, Yuanfa

    2017-04-15

    Promotion of water to the thermal oxidation of oleic acid was detected by the combination of EPR, SPME-GC-MS/MS and GC. Spin-trapping technique was used to identify and quantify the radical species formed during thermal oxidation of oleic acid by using DMPO as electron spin trap. The most abundant radical species were identified as DMPO-alkyl radical adducts. EPR intensity plateau of the samples with 5% water content was 140% higher than the samples without water. It implies oleic acid samples with high water content had high level of oxidation rates. The proportion of aldehydes of the samples with 2% water content was the maximum about 59.97%. Among the formed products, (E,E)-2,4-decadienal has genotoxic and cytotoxic effects, whose percentage was nearly twice comparing with that of 5-0% water content. This study demonstrated that higher water content in frying systems would contribute to seriously oxidation and degradation of oleic acids.

  6. Investigation of chemical exchange at intermediate exchange rates using a combination of chemical exchange saturation transfer (CEST) and spin-locking methods (CESTrho).

    PubMed

    Kogan, Feliks; Singh, Anup; Cai, Keija; Haris, Mohammad; Hariharan, Hari; Reddy, Ravinder

    2012-07-01

    Proton exchange imaging is important as it allows for visualization and quantification of the distribution of specific metabolites with conventional MRI. Current exchange mediated MRI methods suffer from poor contrast as well as confounding factors that influence exchange rates. In this study we developed a new method to measure proton exchange which combines chemical exchange saturation transfer and T(1)(ρ) magnetization preparation methods (CESTrho). We demonstrated that this new CESTrho sequence can detect proton exchange in the slow to intermediate exchange regimes. It has a linear dependence on proton concentration which allows it to be used to quantitatively measure changes in metabolite concentration. Additionally, the magnetization scheme of this new method can be customized to make it insensitive to changes in exchange rate while retaining its dependency on solute concentration. Finally, we showed the feasibility of using CESTrho in vivo. This sequence is able to detect proton exchange at intermediate exchange rates and is unaffected by the confounding factors that influence proton exchange rates thus making it ideal for the measurement of metabolites with exchangeable protons in this exchange regime.

  7. Extracellular polymeric substances dependence of surface interactions of Bacillus subtilis with Cd(2+) and Pb(2+): An investigation combined with surface plasmon resonance and infrared spectra.

    PubMed

    Zhang, Peng; Chen, You-Peng; Peng, Meng-Wen; Guo, Jin-Song; Shen, Yu; Yan, Peng; Zhou, Qiu-Hong; Jiang, Juan; Fang, Fang

    2017-03-24

    Microbial extracellular polymeric substances (EPS) play an important role in resisting the shock load of toxic contaminants to microbial aggregates. In order to investigate the surface interaction process of bacteria with heavy metals, in this work, the kinetics and affinity of heavy metal (CdCl2 and PbCl2) binding on Bacillus subtilis with EPS and without EPS were determined using in situ surface plasmon resonance. The binding mechanism between bacteria (with EPS and without EPS) and heavy metals was probed using Fourier-transform infrared spectra. The effect of heavy metals on aggregations of microbial cells with EPS and without EPS was investigated. The results showed that both the binding of Pb(2+) and Cd(2+) to bacteria with EPS had a similar kinetics process, however Pb(2+) bound to bacterial surface without EPS more firmly compared with Cd(2+). From our results we theorized that heavy metals changed the protein secondary structures of bacteria without EPS protection, that EPS reduced the influence of heavy metals on microbial aggregation, and that Pb(2+) inhibited cell aggregation more easily compared with Cd(2+) in the absence of EPS.

  8. Investigation of the dominant hydration structures among the ionic species in aqueous solution: Novel quantum mechanics/molecular mechanics simulations combined with the theory of energy representation

    NASA Astrophysics Data System (ADS)

    Takahashi, Hideaki; Ohno, Hajime; Yamauchi, Toshihiko; Kishi, Ryohei; Furukawa, Shin-ichi; Nakano, Masayoshi; Matubayasi, Nobuyuki

    2008-02-01

    In the present work, we have performed quantum chemical calculations to determine preferable species among the ionic complexes that are present in ambient water due to the autodissociation of water molecule. First, we have formulated the relative population of the hydrated complexes with respect to the bare ion (H3O+ or OH -) in terms of the solvation free energies of the relevant molecules. The solvation free energies for various ionic species (H3O+, H5O2+, H7O3+, H9O4+ or OH -, H3O2-, H5O3-, H7O4-, H9O5-), categorized as proton or hydroxide ion in solution, have been computed by employing the QM/MM-ER method recently developed by combining the quantum mechanical/molecular mechanical (QM/MM) approach with the theory of energy representation (ER). Then, the computed solvation free energies have been used to evaluate the ratio of the populations of the ionic complexes to that of the bare ion (H3O+ or OH -). Our results suggest that the Zundel form, i.e., H5O2+, is the most preferable in the solution among the cationic species listed above though the Eigen form (H9O4+) is very close to the Zundel complex in the free energy, while the anionic fragment from water molecules mostly takes the form of OH -. It has also been found that the loss of the translational entropy of water molecules associated with the formation of the complex plays a role in determining the preferable size of the cluster.

  9. Combining caesium-137 measurements and suspended sediment load data to investigate the sediment response of a small catchment in southern Italy

    NASA Astrophysics Data System (ADS)

    Porto, P.; Walling, D. E.; La Spada, C.; Mallimo, N.

    2015-03-01

    A long-term measurement programme was operated in southern Italy during the 1960s and 1970s, to provide information on the suspended sediment yields from the main river basins. Information obtained for the rivers of Calabria suggests that suspended sediment yields in this area are relatively low. However, there is evidence that the intensity of land degradation within the upstream catchments is substantially higher than suggested by the values of specific sediment yield and there is a need to explore the relationship between on-site soil loss and downstream sediment yield more closely. Monitoring time-integrated erosion rates over large areas has traditionally required extensive long-term measurement programmes employing experimental plots. The fallout radionuclide caesium-137 (137Cs) offers an alternative means of documenting medium-term rates of soil loss. This paper describes the use of 137Cs measurements and the available sediment load data to explore the links between soil erosion, sediment redistribution and storage, and sediment output for a medium-scale (41.3 km2) catchment in Calabria. Data available from a sediment load monitoring programme undertaken at the catchment outlet during 1962-1977 have been used to estimate the longer-term catchment sediment yield. This estimate has been combined with information provided by the 137Cs measurements, to establish a medium-term sediment budget for the catchment. The results provided by the 137Cs measurements indicate that the catchment is subject to much higher rates of soil loss and land degradation than suggested by its specific sediment yield. These findings are consistent with the results obtained for other catchments in Calabria for which both 137Cs derived erosion rates and measured sediment yields are available.

  10. A Combined Study Investigating the Insoluble and Soluble Organic Compounds in Category 3 Carbonaceous Itokawa Particles Recovered by the Hayabusa Mission

    NASA Technical Reports Server (NTRS)

    Chan, Q. H. S.; Zolensky, M.; Burton, A.; Clemett, S.; Fries, M.; Kebukawa, Y.

    2015-01-01

    At the 3rd International Announcement of Opportunity (AO), we have been approved for five Category 3 carbonaceous Itokawa particles (RA-QD02-0012, RA-QD02-0078, RB-CV-0029, RB-CV-0080 and RB-QD04-0052) recovered by the first Hayabusa mission of JAXA. In this investigation, we aim to provide a comprehensive study to characterize and account for the presence of carbon-bearing phases as suggested by the initial Scanning Electron Microscopy (SEM) analysis carried out by JAXA at the curation facility, and to describe the mineralogical components of the particles. The insoluble organic content of Itokawa particle has been investigated with the use of micro-Raman spectroscopy by Kitajima and co-workers [1]. The Raman spectra of Itokawa particles show broad G- and D-bands typical of low temperature material which offers an interesting contrast to the high metamorphic grade (LL4-6) of the Itokawa parent body. Amino acid analysis has been conducted by Naraoka et al. [2] to study the soluble organic component of Itokawa particles, but since it was a preliminary study and thus did not have the opportunity to target on Category 3 carbonaceous particles, only terrestrial contaminants were identified. The investigation will be carried out in the following order prioritized according to the progressive damage the analytical techniques can induce: (1) micro-Raman spectrometry, (2) two-step laser mass spectrometry (micro-L2MS), (3) ultra-high performance liquid chromatography with fluorescence detection and time-of-flight mass spectrometry (LC-FD/ToF-MS), and optimally if we can recover the particles after wet chemistry analysis, we will mount the samples and perform (4) electron beam microscopy (SEM, electron back-scattered diffraction [EBSD]) and (5) carbon X-ray absorption near edge structure spectroscopy (C-XANES). We will begin the analytical procedures upon receiving the samples in September/October. This work will provide us with an understanding of the variety and origins of

  11. Ethanol perturbs lipid organization in models of stratum corneum membranes: An investigation combining differential scanning calorimetry, infrared and (2)H NMR spectroscopy.

    PubMed

    Kwak, Sungjong; Brief, Elana; Langlais, Denis; Kitson, Neil; Lafleur, Michel; Thewalt, Jenifer

    2012-05-01

    Ethanol is used in a variety of topical products. It is known to enhance the permeability of the skin by altering the ability of the stratum corneum (SC) intercellular membranes to form an effective barrier. In addition, ethanol and other alcohols are key components of antiseptic gels currently used for hand wash. Using infrared and deuterium NMR spectroscopy as well as calorimetry, we have investigated the effect of ethanol on a model membrane composed of lipids representing the three classes of SC lipids, an equimolar mixture of N-palmitoylsphingosine (ceramide), palmitic acid and cholesterol. Ethanol is found to influence the membrane in a dose dependent manner, disrupting packing and increasing lipid motion at low concentrations and selectively extracting lipids at moderate concentrations.

  12. Elucidating the effects of gas flow rate on an SF6 inductively coupled plasma and on the silicon etch rate, by a combined experimental and theoretical investigation

    NASA Astrophysics Data System (ADS)

    Tinck, Stefan; Tillocher, Thomas; Dussart, Rémi; Neyts, Erik C.; Bogaerts, Annemie

    2016-09-01

    Experiments show that the etch rate of Si with SF6 inductively coupled plasma (ICP) is significantly influenced by the absolute gas flow rate in the range of 50-600 sccm, with a maximum at around 200 sccm. Therefore, we numerically investigate the effects of the gas flow rate on the bulk plasma properties and on the etch rate, to obtain more insight in the underlying reasons of this effect. A hybrid Monte Carlo—fluid model is applied to simulate an SF6 ICP. It is found that the etch rate is influenced by two simultaneous effects: (i) the residence time of the gas and (ii) the temperature profile of the plasma in the ICP volume, resulting indeed in a maximum etch rate at 200 sccm.

  13. Tautomerism aspect of thione-thiol combined with spectral investigation of some 4-amino-5-methyl-1,2,4-triazole-3-thione Schiff's bases

    NASA Astrophysics Data System (ADS)

    El Ashry, El Sayed H.; Awad, Laila F.; Soliman, Saied M.; Abd Al Moaty, Mohamed N.; Ghabbour, Hazem A.; Barakat, Assem

    2017-10-01

    Reaction of 4-amino-3-methyl-1,2,4-triazole-5-thione with some substituted benzaldehydes in presence of catalytic amount of hydrochloric acid afforded the respective Schiff's bases 3a-e. Computational studies using DFT incorporating the B3LYP/6-311G(d,p) level of theory is used to predict the stability of the possible tautomers. Molecular modeling, natural charge calculations, NMR, Frontier molecular orbitals and electronic spectra were investigated. Analysis of the thermodynamic parameters of the thione-thiol tautomeric reactions of these derivatives was used to predict the tautomers stability. The thione tautomer is the most favored form in gas phase and in solution whatever the nature of solvent used. The electronic spectra were assigned based on the TD-DFT calculations. The GIAO NMR chemical shifts correlated well with the experimental data.

  14. Investigation of microstructure evolution during self-annealing in thin Cu films by combining mesoscale level set and ab initio modeling

    NASA Astrophysics Data System (ADS)

    Hallberg, Håkan; Olsson, Pär A. T.

    2016-05-01

    Microstructure evolution in thin Cu films during room temperature self-annealing is investigated by means of a mesoscale level set model. The model is formulated such that the relative, or collective, influence of anisotropic grain boundary energy, mobility and heterogeneously distributed stored energy can be investigated. Density functional theory (DFT) calculations are performed in the present work to provide the variation of grain boundary energy for different grain boundary configurations. The stability of the predominant (111) fiber texture in the as-deposited state is studied as well as the stability of some special low-Σ grain boundaries. Further, the numerical model allows tracing of the grain size distribution and occurrence of abnormal grain growth during self-annealing. It is found that abnormal grain growth depends mainly on the presence of stored energy variations, whereas anisotropic grain boundary energy or mobility is insufficient to trigger any abnormal growth in the model. However, texture dependent grain boundary properties, mobility in particular, contribute to an increased content of low-Σ boundaries in the annealed microstructure. The increased presence of such boundaries is also promoted by stored energy variations. In addition, if the stored energy variations are sufficient the coexisting (111) and (001) texture components in the as-deposited state will evolve into a (001) dominated texture during annealing. Further, it is found that whereas stored energy variations promote the stability of the (001) texture component, anisotropic grain boundary energy and mobility tend to work the other way and stabilize the (111) component at the expense of (001) grains.

  15. Combined MRI and 31P-MRS Investigations of the ACTA1(H40Y) Mouse Model of Nemaline Myopathy Show Impaired Muscle Function and Altered Energy Metabolism

    PubMed Central

    Gineste, Charlotte; Le Fur, Yann; Vilmen, Christophe; Le Troter, Arnaud; Pecchi, Emilie; Cozzone, Patrick J.; Hardeman, Edna C.; Bendahan, David; Gondin, Julien

    2013-01-01

    Nemaline myopathy (NM) is the most common disease entity among non-dystrophic skeletal muscle congenital diseases. Mutations in the skeletal muscle α-actin gene (ACTA1) account for ∼25% of all NM cases and are the most frequent cause of severe forms of NM. So far, the mechanisms underlying muscle weakness in NM patients remain unclear. Additionally, recent Magnetic Resonance Imaging (MRI) studies reported a progressive fatty infiltration of skeletal muscle with a specific muscle involvement in patients with ACTA1 mutations. We investigated strictly noninvasively the gastrocnemius muscle function of a mouse model carrying a mutation in the ACTA1 gene (H40Y). Skeletal muscle anatomy (hindlimb muscles and fat volumes) and energy metabolism were studied using MRI and 31Phosphorus magnetic resonance spectroscopy. Skeletal muscle contractile performance was investigated while applying a force-frequency protocol (from 1–150 Hz) and a fatigue protocol (80 stimuli at 40 Hz). H40Y mice showed a reduction of both absolute (−40%) and specific (−25%) maximal force production as compared to controls. Interestingly, muscle weakness was associated with an improved resistance to fatigue (+40%) and an increased energy cost. On the contrary, the force frequency relationship was not modified in H40Y mice and the extent of fatty infiltration was minor and not different from the WT group. We concluded that the H40Y mouse model does not reproduce human MRI findings but shows a severe muscle weakness which might be related to an alteration of intrinsic muscular properties. The increased energy cost in H40Y mice might be related to either an impaired mitochondrial function or an alteration at the cross-bridges level. Overall, we provided a unique set of anatomic, metabolic and functional biomarkers that might be relevant for monitoring the progression of NM disease but also for assessing the efficacy of potential therapeutic interventions at a preclinical level. PMID:23613869

  16. Investigating the influence of working memory capacity when driving behavior is combined with cognitive load: An LCT study of young novice drivers.

    PubMed

    Ross, Veerle; Jongen, Ellen M M; Wang, Weixin; Brijs, Tom; Brijs, Kris; Ruiter, Robert A C; Wets, Geert

    2014-01-01

    Distracted driving has received increasing attention in the literature due to potential adverse safety outcomes. An often posed solution to alleviate distraction while driving is hands-free technology. Interference by distraction can occur however at the sensory input (e.g., visual) level, but also at the cognitive level where hands-free technology induces working memory (WM) load. Active maintenance of goal-directed behavior in the presence of distraction depends on WM capacity (i.e., Lavie's Load theory) which implies that people with higher WM capacity are less susceptible to distractor interference. This study investigated the interaction between verbal WM load and WM capacity on driving performance to determine whether individuals with higher WM capacity were less affected by verbal WM load, leading to a smaller deterioration of driving performance. Driving performance of 46 young novice drivers (17-25 years-old) was measured with the lane change task (LCT). Participants drove without and with verbal WM load of increasing complexity (auditory-verbal response N-back task). Both visuospatial and verbal WM capacity were investigated. Dependent measures were mean deviation in the lane change path (MDEV), lane change initiation (LCI) and percentage of correct lane changes (PCL). Driving experience was included as a covariate. Performance on each dependent measure deteriorated with increasing verbal WM load. Meanwhile, higher WM capacity related to better LCT performance. Finally, for LCI and PCL, participants with higher verbal WM capacity were influenced less by verbal WM load. These findings entail that completely eliminating distraction is necessary to minimize crash risks among young novice drivers.

  17. Combined investigations on long-term hydrochemical monitoring and high frequency measurements in the Critical Zone from the Auradé catchment (SW, France)

    NASA Astrophysics Data System (ADS)

    Ponnou-Delaffon, Vivien; Probst, Anne; Payre-Suc, Virginie; Ferrant, Sylvain; Probst, Jean-Luc

    2017-04-01

    The Critical Zone (CZ) is now well identified as the land-atmosphere interface under the influence of many human pressures rendering up vulnerable for future generations. Although many investigations have been undergone over the last 30 years in the different compartments of the CZ, it remains important to understand the overall functioning of this area in a context of global change. A long-term hydrological and chemical monitoring was performed since 30 years for nitrates and discharge, and for 10 years for major elements at the stream outlet of a small agricultural carbonated catchment (Auradé site). This catchment is part of the observatories network OZCAR infrastructure and since 1992 it was a pilot for improving agricultural practices. Two time scales were investigated based on a discrete sampling during low water flow and hydrological events, and since 2006 on high frequency datas (every 10mn) for pH, conductivity, nitrate, temperature…using a multiparameter probe. The long-term trends indicated mostly a decreasing in nitrate, Ca and Mg concentrations namely and an increase in DOC, which can be related to the influence of the environmental practices (fertilizers inputs, vegetative filter strip etc..), but more recently to the changes in temperature and hydrological patterns (decreasing discharge and occurrence of rare but intensive events). The high frequency measurements on short-term events allowed: (i) to highlight the mechanisms involved in flux exportations (nycthemeral cycle for nitrates as ex.), (ii) to reconstruct the chemical patterns by correlating the parameters to major elements, and finally (iii) to have a better and more precise approach of the contribution of weathering and land use on the hydrochemical functioning of the CZ, particularly on the disturbance of carbon cycle by anthropogenic fingerprints.

  18. A combined plant and reaction chamber setup to investigate the effect of pollution and UV-B radiation on biogenic emissions

    NASA Astrophysics Data System (ADS)

    Timkovsky, J.; Gankema, P.; Pierik, R.; Holzinger, R.

    2012-12-01

    Biogenic emissions account for almost 90% of total non-methane organic carbon emissions in the atmosphere. The goal of this project is to study the effect of pollution (ozone, NOx) and UV radiation on the emission of real plants. We have designed and built a setup where we combine plant chambers with a reaction chamber (75L volume) allowing the addition of pollutants at different locations. The main analytical tool is a PTR-TOF-MS instrument that can be optionally coupled with a GC system for improved compound identification. The setup is operational since March 2012 and first measurements indicate interesting results, three types of experiments will be presented: 1. Ozonolysis of b-pinene. In this experiment the reaction chamber was flushed with air containing b-pinene at approximate levels of 50 nmol/mol. After ~40 min b-pinene levels reached equilibrium in the reaction chamber and a constant supply of ozone was provided. Within 30 minutes this resulted in a 10 nmol/mol decrease of b-pinene levels in accordance with a reaction rate constant of 1.5*10-17 cm3molec-1s-1 and a residence time of 10 minutes in the reaction chamber. In addition we observed known oxidation products such as formaldehyde, acetone, and nopinone the molar yields of which were also in accordance with reported values. 2. Ozonolysis of biogenic emissions from tomato plants. The air containing the emissions from tomato plants was supplied to the reaction chamber. After adding ozone we observed the decrease of monoterpene concentrations inside the reaction chamber. The observed decrease is consistent for online PTR-MS and GC/PTR-MS measurements. Several ozonolysis products have been observed in the chamber. 3. The effect of UV-B radiation on biogenic emissions of tomato plants. Tomato plants were exposed to UV-B radiation and their emissions measured during and after the treatment. We observed significant changes in the emissions of volatile organic compounds, with specific compounds increasing

  19. Optical properties of a visible push-pull chromophore covalently bound to carbohydrates: solution and gas-phase spectroscopy combined to theoretical investigations.

    PubMed

    Enjalbert, Quentin; Racaud, Amandine; Lemoine, Jérôme; Redon, Sébastien; Ayhan, Mehmet Menaf; Andraud, Chantal; Chambert, Stéphane; Bretonnière, Yann; Loison, Claire; Antoine, Rodolphe; Dugourd, Philippe

    2012-01-19

    The use of visible absorbing and fluorescent tags for sensing and structural analysis of carbohydrates is a promising route in a variety of medical, diagnostic, and therapeutic contexts. Here we report an easy method for covalent attachment of nonfluorescent push-pull chromophores based on the 4-cyano-5-dicyanomethylene-2-oxo-3-pyrroline ring to carbohydrate moieties. The impact of sugar grafting on the optical properties of the push-pull chromophore in the gas phase and in solution was investigated by absorption and action spectroscopy and theoretical methods. The labeled sugars efficiently absorb photons in the visible range, as demonstrated by their intense photodissociation in a quadrupole ion trap. A strong blue shift (-70 nm) of the gas-phase photodissociation intensity maximum is observed upon sugar grafting, whereas no such effect is visible on the solution absorption spectra. Molecular dynamics simulations of labeled maltose in the gas phase describe strong interactions between the sulfonated chromophore and the carbohydrate, which lead to cyclic conformations. These are not observed in the simulations with explicit solvation. Time-dependent density functional theory (TD-DFT) calculations on model molecules permit us to attribute the observed shift to the formation of such cyclic conformations and to the displacement of the negative charge relative to the aromatic moiety of the chromophore.

  20. Microelectrode arrays in combination with in vitro models of spinal cord injury as tools to investigate pathological changes in network activity: facts and promises.

    PubMed

    Mladinic, Miranda; Nistri, Andrea

    2013-01-01

    Microelectrode arrays (MEAs) represent an important tool to study the basic characteristics of spinal networks that control locomotion in physiological conditions. Fundamental properties of this neuronal rhythmicity like burst origin, propagation, coordination, and resilience can, thus, be investigated at multiple sites within a certain spinal topography and neighboring circuits. A novel challenge will be to apply this technology to unveil the mechanisms underlying pathological processes evoked by spinal cord injury (SCI). To achieve this goal, it is necessary to fully identify spinal networks that make up the locomotor central pattern generator (CPG) and to understand their operational rules. In this review, the use of isolated spinal cord preparations from rodents, or organotypic spinal slice cultures is discussed to study rhythmic activity. In particular, this review surveys our recently developed in vitro models of SCI by evoking excitotoxic (or even hypoxic/dysmetabolic) damage to spinal networks and assessing the impact on rhythmic activity and cell survival. These pathological processes which evolve via different cell death mechanisms are discussed as a paradigm to apply MEA recording for detailed mapping of the functional damage and its time-dependent evolution.

  1. Understanding the role of hydrogen bonding in Brønsted acidic ionic liquid-catalyzed transesterification: a combined theoretical and experimental investigation.

    PubMed

    Li, Kaixin; Yan, Yibo; Zhao, Jun; Lei, Junxi; Jia, Xinli; Mushrif, Samir H; Yang, Yanhui

    2016-12-07

    Brønsted acidic ionic liquids (BAILs) can play a dual role, as a solvent and as a catalyst, in many reactions. However, molecular details of the catalytic mechanism are poorly understood. We present here a density functional theory (DFT) study for the catalytic mechanism of the transesterification of methyl ester (ME) with trimethylolpropane (TMP), in the presence of three representative BAILs, namely, N-methylimidazole-IL, pyridinium-IL, and triethylamine-IL. The deprotonation of the BAIL cation and the transesterification step are investigated. Key inter- and intra-molecular hydrogen bonds (HBs) that govern the catalytic performance of BAILs were identified and analyzed using natural bond orbital (NBO) and atoms in molecule (AIM) methods. For the deprotonation of BAILs, it was found that the intermolecular O-HO HB between the hydroxyl group of TMP and the oxygen of the sulfonic group of BAIL was indispensable for proton transfer. DFT computed free energy barriers for the transesterification step are in excellent agreement with the experimental results only after taking into account the BAIL cation-anion interaction in terms of HBs in which the O-HO between the hydroxyl group of the anion and the oxygen of the sulfonic group of the cation was the strongest HB, suggesting the role of the anion in governing the catalytic activity of BAILs. The existence of the HBs suggested by DFT calculations was further validated using in situ FTIR experiments/ATR-FTIR.

  2. Interpreting the clinical significance of combined variants in multiple recessive disease genes: systematic investigation of Joubert syndrome yields little support for oligogenicity.

    PubMed

    Phelps, Ian G; Dempsey, Jennifer C; Grout, Megan E; Isabella, Christine R; Tully, Hannah M; Doherty, Dan; Bachmann-Gagescu, Ruxandra

    2017-08-03

    PurposeNext-generation sequencing (NGS) often identifies multiple rare predicted-deleterious variants (RDVs) in different genes associated with a recessive disorder in a given patient. Such variants have been proposed to contribute to digenicity/oligogenicity or "triallelism" or to act as genetic modifiers.MethodsUsing the recessive ciliopathy Joubert syndrome (JBTS) as a model, we investigated these possibilities systematically, relying on NGS of known JBTS genes in a large JBTS and two control cohorts.Results65% of affected individuals had a recessive genetic cause, while 4.9% were candidates for di-/oligogenicity, harboring heterozygous RDVs in two or more genes, compared with 4.2-8% in controls (P = 0.66-0.21). Based on Exome Aggregation Consortium (ExAC) allele frequencies, the probability of cumulating RDVs in any two JBTS genes is 9.3%. We found no support for triallelism, as no unaffected siblings carried the same biallelic RDVs as their affected relative. Sixty percent of individuals sharing identical causal RDVs displayed phenotypic discordance. Although 38% of affected individuals harbored RDVs in addition to the causal mutations, their presence did not correlate with phenotypic severity.ConclusionOur data offer little support for triallelism or digenicity/oligogenicity as clinically relevant inheritance modes in JBTS. While phenotypic discordance supports the existence of genetic modifiers, identifying clinically relevant modifiers remains challenging.GENETICS in MEDICINE advance online publication, 3 August 2017; doi:10.1038/gim.2017.94.

  3. Investigation of the Abstraction and Dissociation Mechanism in the Nitrogen Trifluoride Channels: Combined Post-Hartree-Fock and Transition State Theory Approaches.

    PubMed

    Claudino, D; Gargano, R; Carvalho-Silva, Valter H; E Silva, Geraldo M; da Cunha, W F

    2016-07-21

    The present paper concludes our series of kinetics studies on the reactions involved in the complex mechanism of nitrogen trifluoride decomposition. Two other related reactions that, along with this mechanism, take part in an efficient boron nitride growth process are also investigated. We report results concerning two abstraction reactions, namely NF2 + N ⇄ 2NF and NF3 + NF ⇄ 2NF2, and two dissociations, N2F4 ⇄ 2NF2 and N2F3 ⇄ NF2 + NF. State-of-the-art electronic structure calculations at the CCSD(T)/cc-pVTZ level of theory were considered to determine geometries and frequencies of reactants, products, and transition states. Extrapolation of the energies to the complete basis set limit was used to obtain energies of all the species. We applied transition state theory to compute thermal rate constants including Wigner, Eckart, Bell, and deformed theory corrections in order to take tunneling effects into account. The obtained results are in good agreement with the experimental data available in the literature and are expected to provide a better phenomenological understanding of the NF3 decomposition role in the boron nitride growth for a wide range of temperature values.

  4. Performance Investigation of Proteomic Identification by HCD/CID Fragmentations in Combination with High/Low-Resolution Detectors on a Tribrid, High-Field Orbitrap Instrument.

    PubMed

    Tu, Chengjian; Li, Jun; Shen, Shichen; Sheng, Quanhu; Shyr, Yu; Qu, Jun

    2016-01-01

    The recently-introduced Orbitrap Fusion mass spectrometry permits various types of MS2 acquisition methods. To date, these different MS2 strategies and the optimal data interpretation approach for each have not been adequately evaluated. This study comprehensively investigated the four MS2 strategies: HCD-OT (higher-energy-collisional-dissociation with Orbitrap detection), HCD-IT (HCD with ion trap, IT), CID-IT (collision-induced-dissociation with IT) and CID-OT on Orbitrap Fusion. To achieve extensive comparison and identify the optimal data interpretation method for each technique, several search engines (SEQUEST and Mascot) and post-processing methods (score-based, PeptideProphet, and Percolator) were assessed for all techniques for the analysis of a human cell proteome. It was found that divergent conclusions could be made from the same dataset when different data interpretation approaches were used and therefore requiring a relatively fair comparison among techniques. Percolator was chosen for comparison of techniques because it performs the best among all search engines and MS2 strategies. For the analysis of human cell proteome using individual MS2 strategies, the highest number of identifications was achieved by HCD-OT, followed by HCD-IT and CID-IT. Based on these results, we concluded that a relatively fair platform for data interpretation is necessary to avoid divergent conclusions from the same dataset, and HCD-OT and HCD-IT may be preferable for protein/peptide identification using Orbitrap Fusion.

  5. Combining physical and numerical simulation to investigate the CO sub 2 huff n' puff process for enhanced light-oil recovery

    SciTech Connect

    Thomas, J.

    1990-01-01

    Cyclic CO{sub 2} injection, more commonly referred to as the CO{sub 2} huff n' puff process, is an enhanced oil recovery method which targets remaining oil. Initially used for heavy oil recovery, it has been applied recently to the enhanced recovery of light oil with promising results. The CO{sub 2} huff 'n' puff process is physically simulated in laboratory experiments using Berea sandstone consolidated cores with live and dead oil systems. Corefloods provide extensive and systematic data at controlled conditions allowing selected process parameters to be investigated. This research used corefloods to examine the effect of an initial gas saturation and an impure CO{sub 2} source on the process. However, physical restraints such as time taken to perfrom experiments, and the fixed physical properties of the core, preclude corefloods under a wider range of conditions. Coreflood data can be used for tuning a compositional reservoir simulator. A well calibrated numerical model can in turn be used to predict the results of the CO{sub 2} huff n' puff process for diverse reservoir and operating conditons difficult to duplicate in the laboratory. This approach is used to calibrate a commercially available composition model. The calibrated model is then used to predict the effects of soak duration, remaining oil saturation, CO{sub 2} slug size and CO{sub 2} injection rate on ultimate recovery.

  6. Processing technology investigation of loquat (Eriobotrya japonica) leaf by ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry combined with chemometrics.

    PubMed

    Wu, Labin; Jiang, Xue; Huang, Linfang; Chen, Shilin

    2013-01-01

    Ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF/MS) and multivariate statistical analysis were used to investigate the processing technology of Loquat (Eriobotrya japonica) leaf (pipaye, PPY). The differences in samples processed using different methods were revealed by unsupervised principal component analysis (PCA). In the scores plot of PCA, honey-processed PPY (PPPY), crude PPY (CPPY), and heated PPY (HPPY) were clearly discriminated. Furthermore, samples processed at different temperatures could also be distinguished; indeed, our PCA results demonstrated the importance of temperature during processing. Two unique marker ions were found to discriminate between PPPY and CPPY by orthogonal partial least squares discriminant analysis (OPLS-DA), which could be used as potential chemical markers. The method was further confirmed by a verification test with commercial PPY. The orthogonal array experiment revealed an optimized processing condition with 50% honey at 140°C for 20 min after 4 h of moistening time, a process that provides significant information for standardized production.

  7. First step to investigate nature of electronic states and transport in flower-like MoS2: Combining experimental studies with computational calculations

    PubMed Central

    Pandey, Kavita; Yadav, Pankaj; Singh, Deobrat; Gupta, Sanjeev K.; Sonvane, Yogesh; Lukačević, Igor; Kim, Joondong; Kumar, Manoj

    2016-01-01

    In the present paper, the nature of electronic states and transport properties of nanostructured flower-like molybdenum disulphide grown by hydrothermal route has been studied. The band structure, electronic nature of charge, thermodynamics and the limit of phonon scattering through density functional theory (DFT) has also been studied. The band tail states, dynamics of trap states and transport of carriers was investigated through intensive impedance spectroscopy analysis. The direct fingerprint of density and band tail state is analyzed from the capacitance plot as capacitance reflects the capability of a semiconductor to accept or release the charge carriers with a corresponding change in its Fermi potential levels. A recently introduced infrared photo-carrier radiometry and density functional perturbation theory (DFPT) techniques have been used to determine the temperature dependence of carrier mobility in flower type-MoS2. The present study illustrates that a large amount of trapped charges leads to an underestimation of the measured effective mobility and the potential of the material. Thus, a continuous engineering effort is required to improve the quality of fabricated nanostructures for its potential applications. PMID:27615369

  8. Investigation of a staphylococcal food poisoning outbreak combining case-control, traditional typing and whole genome sequencing methods, Luxembourg, June 2014.

    PubMed

    Mossong, Joël; Decruyenaere, Frédéric; Moris, Gilbert; Ragimbeau, Catherine; Olinger, Christophe M; Johler, Sophia; Perrin, Monique; Hau, Patrick; Weicherding, Pierre

    2015-01-01

    In June 2014, a staphylococcal food poisoning outbreak occurred at an international equine sports event in Luxembourg requiring the hospitalisation of 31 persons. We conducted a microbiological investigation of patients and buffet items, a case-control study and a carriage study of catering staff. Isolates of Staphylococcus aureus from patients, food and catering staff were characterised and compared using traditional typing methods and whole genome sequencing. Genotypically identical strains (sequence type ST8, spa-type t024, MLVA-type 4698, enterotoxin A FRI100) were isolated in 10 patients, shiitake mushrooms, cured ham, and in three members of staff. The case-control study strongly suggested pasta salad with pesto as the vehicle of infection (p<0.001), but this food item could not be tested, because there were no leftovers. Additional enterotoxigenic strains genetically unrelated to the outbreak strain were found in four members of staff. Non-enterotoxigenic strains with livestock-associated sequence type ST398 were isolated from three food items and two members of staff. The main cause of the outbreak is likely to have been not maintaining the cold chain after food preparation. Whole genome sequencing resulted in phylogenetic clustering which concurred with traditional typing while simultaneously characterising virulence and resistance traits.

  9. In-silico screening for DNA-dependent protein kinase (DNA-PK) inhibitors: Combined homology modeling, docking, molecular dynamic study followed by biological investigation.

    PubMed

    Tarazi, Hamadeh; Saleh, Ekram; El-Awady, Raafat

    2016-10-01

    DNA-dependent protein kinase (DNA-PK) is a key enzyme in non-homologous DNA end joining (NHEJ) repair pathway. The targeted inhibition of such enzyme would furnish a valuable option for cancer treatment. In this study we report the development of validation of enzyme homology model, and the subsequent use of this model to perform docking-based virtual screening against a database of FDA-approved drugs. The nominated highest ranking hits (Praziquantel and Dutasteride) were subjected to biological investigation. Additionally, molecular dynamic study was carried-out for binding mode exploration. Results of the biological evaluation revealed that both compounds inhibit the DNA-PK enzymatic activity at relatively high concentration levels with an IC50 of 17.3μM for praziquantel and >20μM for dutasteride. Furthermore, both agents enhanced the anti-proliferative effects of doxorubicin and cisplatin on breast cancer (MCF7) and lung cancer (A549) cell lines. This result indicates that these two hits are good candidate as DNA-PK inhibitors and worth further structural modifications to enhance their enzyme inhibitory effects. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

  10. Synthesis, structural and vibrational investigation on 2-phenyl-N-(pyrazin-2-yl)acetamide combining XRD diffraction, FT-IR and NMR spectroscopies with DFT calculations

    NASA Astrophysics Data System (ADS)

    Lukose, Jilu; Yohannan Panicker, C.; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.; Van Alsenoy, C.; Al-Saadi, Abdulaziz A.

    2015-01-01

    The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of 2-phenyl-N-(pyrazin-2-yl)acetamide have been investigated experimentally and theoretically using Gaussian09 software package. The title compound was optimized by using the HF/6-31G(6D,7F) and B3LYP/6-31G(6D,7F) calculations. The geometrical parameters are in agreement with the XRD data. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. Gauge-including atomic orbital 1H-NMR chemical shifts calculations were carried out and compared with experimental data. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. Molecular electrostatic potential was performed by the DFT method. First hyperpolarizability is calculated in order to find its role in non linear optics. From the XRD data, in the crystal, molecules are held together by strong Csbnd H⋯O and Nsbnd H⋯O intermolecular interactions.

  11. Processing Technology Investigation of Loquat (Eriobotrya japonica) Leaf by Ultra-Performance Liquid Chromatography-Quadrupole Time-of-Flight Mass Spectrometry Combined with Chemometrics

    PubMed Central

    Wu, Labin; Jiang, Xue; Huang, Linfang; Chen, Shilin

    2013-01-01

    Ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF/MS) and multivariate statistical analysis were used to investigate the processing technology of Loquat (Eriobotrya japonica) leaf (pipaye, PPY). The differences in samples processed using different methods were revealed by unsupervised principal component analysis (PCA). In the scores plot of PCA, honey-processed PPY (PPPY), crude PPY (CPPY), and heated PPY (HPPY) were clearly discriminated. Furthermore, samples processed at different temperatures could also be distinguished; indeed, our PCA results demonstrated the importance of temperature during processing. Two unique marker ions were found to discriminate between PPPY and CPPY by orthogonal partial least squares discriminant analysis (OPLS-DA), which could be used as potential chemical markers. The method was further confirmed by a verification test with commercial PPY. The orthogonal array experiment revealed an optimized processing condition with 50% honey at 140°C for 20 min after 4 h of moistening time, a process that provides significant information for standardized production. PMID:23667702

  12. Synthesis, characterization and properties of tetra((1-hydroxyimino-methylnaphthalen-2-yloxy)methyl)ethene and its homo-dinuclear metal complexes: A combined experimental and theoretical investigation

    NASA Astrophysics Data System (ADS)

    Serbest, Kerim; Karaoğlu, Kaan; Erman, Murat; Er, Mustafa; Değirmencioğlu, İsmail

    2010-10-01

    Tetra((1-hydroxyiminomethylnaphthalen-2-yloxy)methyl)ethene (THIMNYOME), H 4L, was synthesized by the agents of 2-hydroxy-1-naphtaldehyde, tetra(bromomethyl)ethene and hydroxylamine hydrochloride in two steps. Characterization of THIMNYOME and its dinuclear complexes was made by elemental analyses, IR, 1H- and 13C NMR, UV-vis, electrospray ionisation mass spectra, molar conductivities and magnetic susceptibility measurements. In the light of these results, it was suggested that the ligand coordinate to each metal atom by the two ether oxygen, two nitrogen atoms of oxime imine (C dbnd N) and an axial oxygen of perchlorate to form pseudo square-pyramidal complexes with Ni(II), Cu(II) and Zn(II). Molar conductivity measurements reveal that all the complexes are non-electrolytes. In addition, the full geometric optimization of the tetraoxime ligand ( 4) has been made by the B3LYP/6-31G(d) level in order to establish a stable conformation. Additionally, all the complex structures have been studied in the B3LYP/LANL2DZ level. NBO charge distribution and the characteristics of frontier molecular orbitals of these complexes have also been investigated in order to see the electrons movement between ligand and metal atom in the same level.

  13. An investigation of the antidepressant action of xiaoyaosan in rats using ultra performance liquid chromatography-mass spectrometry combined with metabonomics.

    PubMed

    Gao, Xiao-Xia; Cui, Jie; Zheng, Xing-Yu; Li, Zhen-Yu; Choi, Young-Hae; Zhou, Yu-Zhi; Tian, Jun-Sheng; Xing, Jie; Tan, Xiao-Jie; Du, Guan-Hua; Qin, Xue-Mei

    2013-07-01

    A rapid, highly sensitive, and selective method was applied in a non-invasive way to investigate the antidepressant action of Xiaoyaosan (XYS) using ultra performance liquid chromatography-mass spectrometry (UPLC-MS) and chemometrics. Many significantly altered metabolites were used to explain the mechanism. Venlafaxine HCl and fluoxetine HCl were used as chemical positive control drugs with a relatively clear mechanism of action to evaluate the efficiency and to predict the mechanism of action of XYS. Urine obtained from rats subjected to chronic unpredictable mild stress (CUMS) was analyzed by UPLC-MS. Distinct changes in the pattern of metabolites in the rat urine after CUMS production and drug intervention were observed using partial least squares-discriminant analysis. The results of behavioral tests and multivariate analysis showed that CUMS was successfully reproduced, and a moderate-dose XYS produced significant therapeutic effects in the rodent model, equivalent to those of the positive control drugs, venlafaxine HCl and fluoxetine HCl. Metabolites with significant changes induced by CUMS were identified, and 17 biomarker candidates for stress and drug intervention were identified. The therapeutic effect of XYS on depression may involve regulation of the dysfunctions of energy metabolism, amino acid metabolism, and gut microflora changes. Metabonomic methods are valuable tools for measuring efficacy and mechanisms of action in the study of traditional Chinese medicines. Copyright © 2012 John Wiley & Sons, Ltd.

  14. Synthesis, characterization and properties of tetra((1-hydroxyimino-methylnaphthalen-2-yloxy)methyl)ethene and its homo-dinuclear metal complexes: a combined experimental and theoretical investigation.

    PubMed

    Serbest, Kerim; Karaoğlu, Kaan; Erman, Murat; Er, Mustafa; Değirmencioğlu, Ismail

    2010-10-15

    Tetra((1-hydroxyiminomethylnaphthalen-2-yloxy)methyl)ethene (THIMNYOME), H(4)L, was synthesized by the agents of 2-hydroxy-1-naphtaldehyde, tetra(bromomethyl)ethene and hydroxylamine hydrochloride in two steps. Characterization of THIMNYOME and its dinuclear complexes was made by elemental analyses, IR, (1)H- and (13)C NMR, UV-vis, electrospray ionisation mass spectra, molar conductivities and magnetic susceptibility measurements. In the light of these results, it was suggested that the ligand coordinate to each metal atom by the two ether oxygen, two nitrogen atoms of oxime imine (CN) and an axial oxygen of perchlorate to form pseudo square-pyramidal complexes with Ni(II), Cu(II) and Zn(II). Molar conductivity measurements reveal that all the complexes are non-electrolytes. In addition, the full geometric optimization of the tetraoxime ligand (4) has been made by the B3LYP/6-31G(d) level in order to establish a stable conformation. Additionally, all the complex structures have been studied in the B3LYP/LANL2DZ level. NBO charge distribution and the characteristics of frontier molecular orbitals of these complexes have also been investigated in order to see the electrons movement between ligand and metal atom in the same level.

  15. Investigating the Role of Glutamate and GABA in the Modulation of Transthalamic Activity: A Combined fMRI-fMRS Study

    PubMed Central

    Just, Nathalie; Sonnay, Sarah

    2017-01-01

    The Excitatory-Inhibitory balance (EIB) between glutamatergic and GABAergic neurons is known to regulate the function of thalamocortical neurocircuits. The thalamus is known as an important relay for glutamatergic and GABAergic signals ascending/descending to/from the somatosensory cortex in rodents. However, new investigations attribute a larger role to thalamic nuclei as modulators of information processing within the cortex. In this study, functional Magnetic Resonance Spectroscopy (fMRS) was used to measure glutamate (Glu) and GABA associations with BOLD responses during activation of the thalamus to barrel cortex (S1BF) pathway at 9.4T. In line with previous studies in humans, resting GABA and Glu correlated negatively and positively respectively with BOLD responses in S1BF. Moreover, a significant negative correlation (R = −0.68, p = 0.0024) between BOLD responses in the thalamus and the barrel cortex was found. Rats with low Glu levels and high resting GABA levels in S1BF demonstrated lower BOLD responses in S1BF and high amplitude BOLD responses in the thalamus themselves linked to the release of high GABA levels during stimulation. In addition, early analysis of resting state functional connectivity suggested EIB controlled thalamocortical neuronal synchrony. We propose that the presented approach may be useful for further characterization of diseases affecting thalamocortical neurotransmission. PMID:28197105

  16. The combined use of quantum chemical calculations and CP/MAS NMR spectroscopy to investigate soil bound residues of labeled xenobiotics

    NASA Astrophysics Data System (ADS)

    Lewandowski, Hans; Philipp, Herbert; Meier, Robert J.; Narres, Hans-Dieter; Berns, Anne E.

    2010-05-01

    Application of solid state Nuclear Magnetic Resonance (NMR) spectroscopy to 13C- and 15N-labeled compounds is a powerful tool to study the interactions of xenobiotics with soil and its components. The type of interaction with soil components, like organic matter or the mineral phase, influences binding and release of a xenobiotic and its metabolites in soil. As such interactions to the soil matrix cause shifts in the initial positions of the NMR signals of the investigated labeled compound, NMR can be used to elucidate the binding type of bound residues. Density functional theory (DFT) calculations are excellent suited to support such NMR studies of xenobiotics. In a first step, DFT calculations were used to support the interpretation of the spectra of labeled xenobiotics, their metabolites and reaction products synthesized through reaction with model substances (representing specific functionalities of humic substances). In a second step, they allow to evaluate the influence of possible bonds on the initial chemical shift (e.g. towards higher or lower field). This can be especially helpful in the case of bonds like van-der-Waals interactions, for which it is difficult to prepare defined model substances. CP/MAS-NMR spectroscopy and DFT calculations were applied to study the interactions of several labeled xenobiotics and soil organic matter.

  17. First step to investigate nature of electronic states and transport in flower-like MoS2: Combining experimental studies with computational calculations

    NASA Astrophysics Data System (ADS)

    Pandey, Kavita; Yadav, Pankaj; Singh, Deobrat; Gupta, Sanjeev K.; Sonvane, Yogesh; Lukačević, Igor; Kim, Joondong; Kumar, Manoj

    2016-09-01

    In the present paper, the nature of electronic states and transport properties of nanostructured flower-like molybdenum disulphide grown by hydrothermal route has been studied. The band structure, electronic nature of charge, thermodynamics and the limit of phonon scattering through density functional theory (DFT) has also been studied. The band tail states, dynamics of trap states and transport of carriers was investigated through intensive impedance spectroscopy analysis. The direct fingerprint of density and band tail state is analyzed from the capacitance plot as capacitance reflects the capability of a semiconductor to accept or release the charge carriers with a corresponding change in its Fermi potential levels. A recently introduced infrared photo-carrier radiometry and density functional perturbation theory (DFPT) techniques have been used to determine the temperature dependence of carrier mobility in flower type-MoS2. The present study illustrates that a large amount of trapped charges leads to an underestimation of the measured effective mobility and the potential of the material. Thus, a continuous engineering effort is required to improve the quality of fabricated nanostructures for its potential applications.

  18. Performance Investigation of Proteomic Identification by HCD/CID Fragmentations in Combination with High/Low-Resolution Detectors on a Tribrid, High-Field Orbitrap Instrument

    PubMed Central

    Shen, Shichen; Sheng, Quanhu; Shyr, Yu; Qu, Jun

    2016-01-01

    The recently-introduced Orbitrap Fusion mass spectrometry permits various types of MS2 acquisition methods. To date, these different MS2 strategies and the optimal data interpretation approach for each have not been adequately evaluated. This study comprehensively investigated the four MS2 strategies: HCD-OT (higher-energy-collisional-dissociation with Orbitrap detection), HCD-IT (HCD with ion trap, IT), CID-IT (collision-induced-dissociation with IT) and CID-OT on Orbitrap Fusion. To achieve extensive comparison and identify the optimal data interpretation method for each technique, several search engines (SEQUEST and Mascot) and post-processing methods (score-based, PeptideProphet, and Percolator) were assessed for all techniques for the analysis of a human cell proteome. It was found that divergent conclusions could be made from the same dataset when different data interpretation approaches were used and therefore requiring a relatively fair comparison among techniques. Percolator was chosen for comparison of techniques because it performs the best among all search engines and MS2 strategies. For the analysis of human cell proteome using individual MS2 strategies, the highest number of identifications was achieved by HCD-OT, followed by HCD-IT and CID-IT. Based on these results, we concluded that a relatively fair platform for data interpretation is necessary to avoid divergent conclusions from the same dataset, and HCD-OT and HCD-IT may be preferable for protein/peptide identification using Orbitrap Fusion. PMID:27472422

  19. Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study

    NASA Astrophysics Data System (ADS)

    Aswathy, V. V.; Mary, Y. Sheena; Jojo, P. J.; Panicker, C. Yohannan; Bielenica, Anna; Armaković, Stevan; Armaković, Sanja J.; Brzózka, Paulina; Krukowski, Sylwester; Van Alsenoy, C.

    2017-04-01

    The wavenumbers, molecular structure, molecular electrostatic potential, nonlinear optical properties and natural bond orbital analysis of a thiourea derivative, 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6) were reported. For the title molecule, HOMO is all over the molecule except the CF3 group and LUMO is over the 1,3-substituted phenyl ring PhII, CF3 group and Csbnd S group. The most reactive sites of the molecule are identified with the help of MEP plot analysis. The first hyperpolarizability of the title compound is 38.69 times that of the standard NLO material urea. This study also encompassed the investigation of local reactivity properties by calculation of average local ionization energies and Fukui functions, which values have been mapped to the electron density surface. Bond dissociation energies have been calculated for all single acyclic bonds in order to assess the possibilities for autoxidation process and to determine where degradation could start. Radial distribution functions after molecular dynamics simulations have been calculated in order to determine the atoms with the most pronounced interactions with water. Within Marcus semi-empiric approach, charge hopping properties of the title molecule have been assessed and compared with urea and thiourea molecules. From the molecular docking study, the docked title compound forms a stable complex with cytochrome reductase and got a binding affinity value of -6.3 kcal/mol and hence the title compound can be a lead compound for developing new antifungal agent.

  20. Combining high resolution space- and air-borne data with borehole monitoring to investigate surface-subsurface water relations in landslide-prone slopes

    NASA Astrophysics Data System (ADS)

    Wasowski, Janusz; Lamanna, Caterina; Dipalma Lagreca, Marina; Pasquariello, Guido

    2013-04-01

    Water still seems to be a relatively little studied environmental factor in applications of multispectral space- and air-borne data to landslide investigations, even though stagnated drainage conditions have long been used as diagnostic elements for landslide recognition and mapping based on airphoto interpretation. Here we use both satellite imagery and airphotos, focusing on water as a critical factor of the recurrent instability of poorly drained slopes in a 15.6 km2 catchment area in the Apennine mountains (Italy) characterized by predominance of clay-rich flysch units and agricultural land use. We expand on our recent study (Wasowski et al., 2012) that exploited high resolution multispectral satellite imagery from early spring of 2006 for mapping active landslides, investigating their close association with seasonally wet zones (areas covered by free surface-water including ponds, migrating surface-water, seeps), and for inferring surface-subsurface relationships in unstable slopes. In particular, we use sub-meter resolution multispectral orthophotos acquired in late winter of 2011 to map the distributions of active landslides and wet zones. Considerable spatial-temporal recurrence of these features is indicated from a comparison of the 2011 and 2006 inventories. Furthermore, using the extensive subsurface dataset from piezometer boreholes (ongoing monitoring since 2009) we show that a number of remotely sensed wet zones are indicative of sites with seasonally persistent very high groundwater levels within landslide-prone slopes and on intermittently active landslides. Where such surface-subsurface water linkage can be established, the appearance of the wet zones (fully saturated ground/soil) resulting from groundwater discharge or seepage can be used as a forewarning signal of the increased susceptibility to landsliding, since the hillslopes with shallow groundwater tables are generally more prone to failure. However, the feasibility of retrieving reliable

  1. Comparative study of water reactivity with Mo₂O(y)⁻ and W₂O(y)⁻ clusters: a combined experimental and theoretical investigation.

    PubMed

    Ray, Manisha; Waller, Sarah E; Saha, Arjun; Raghavachari, Krishnan; Jarrold, Caroline Chick

    2014-09-14

    A computational investigation of the Mo2O(y)(-) + H2O (y = 4, 5) reactions as well as a photoelectron spectroscopic probe of the deuterated Mo2O6D2(-) product have been carried out to understand a puzzling question from a previous study: Why is the rate constant determined for the Mo2O5(-) + H2O/D2O reaction, the terminal reaction in the sequential oxidation of Mo2O(y)(-) by water, higher than the W2O5(-) + H2O/D2O reaction? This disparity was intriguing because W3O(y)(-) clusters were found to be more reactive toward water than their Mo3O(y)(-) analogs. A comparison of molecular structures reveals that the lowest energy structure of Mo2O5(-) provides a less hindered water addition site than the W2O5(-) ground state structure. Several modes of water addition to the most stable molecular and electronic structures of Mo2O4(-) and Mo2O5(-) were explored computationally. The various modes are discussed and compared with previous computational studies on W2O(y)(-) + H2O reactions. Calculated free energy reaction profiles show lower barriers for the initial Mo2O(y)(-) + H2O addition, consistent with the higher observed rate constant. The terminal Mo2O(y)(-) sequential oxidation product predicted computationally was verified by the anion photoelectron spectrum of Mo2O6D2(-). Based on the computational results, this anion is a trapped dihydroxide intermediate in the Mo2O5(-) + H2O/D2O → Mo2O6(-) + H2/D2 reaction.

  2. A combinated approach to investigate the biochemistry and hydrography of a shallow bay in the south Adriatic Sea: the Gulf of Manfredonia (Italy).

    PubMed

    Focardi, S; Specchiulli, A; Spagnoli, F; Fiesoletti, F; Rossi, C

    2009-06-01

    The main goal of this study is to understand the hydrological and biochemical set up and processes of a marine coastal area located in the western side of the south Adriatic sea (the gulf of Manfredonia) by the use of both satellite images and in situ investigations A water sampling in the gulf of Manfredonia was performed at 18 fixed stations in June 2003; physico-chemical and biological parameters (temperature, salinity, dissolved oxygen and fluorescence) were measured along the water column and water samples were collected to analyse dissolved nutrients (ammonia, nitrite, nitrate, phosphate and silicate), total nutrients (nitrogen and phosphorus), chlorophyll a and total suspended solids. Surface spatial distributions of field collected data were examined to characterize biochemical and hydrographic conditions of the Gulf of Manfredonia and these results were related with the remote sensing analysis data. Remote sensed data (obtained by Landsat 7 TM and Modis Terra) were processed to obtain maps of chlorophyll a, temperature and optical characteristics of the gulf; these maps were compared to in situ data. From physico-chemical measurements no stratification was observed in the water column except for the south-eastern area. High concentrations of silicate and ammonia were observed in the northern zone of the gulf, while nitrate, phosphate, chlorophyll a and total suspended solids distributions showed higher values in the central coastal zone. These results were confirmed by remote sensing analysis; Modis elaboration showed a distribution with higher concentrations of chlorophyll a near the coast and Landsat images highlighted the extension of the surrounding agricultural areas crossed by the two main rivers which discharge into the gulf. The integration between field data with the remote sensing analysis showed to be a valid support in coastal zone management.

  3. Combined electrical resistivity tomography and magnetic resonance sounding investigation of the surface-water/groundwater interaction in the Urema Graben, Mozambique

    NASA Astrophysics Data System (ADS)

    Chirindja, F. J.; Dahlin, T.; Perttu, N.; Steinbruch, F.; Owen, R.

    2016-09-01

    This study focusses on the hydrogeology of Urema Graben, especially possible interactions between surface water and groundwater around Lake Urema, in Gorongosa National Park (GNP). Lake Urema is the only permanent water source for wildlife inside GNP, and there are concerns that it will disappear due to interferences in surface-water/groundwater interactions as a result of changes in the hydraulic environment. As the lake is the only permanent water source, this would be a disaster for the ecosystem of the park. The sub-surface geology in Urema Graben was investigated by 20 km of electrical resistivity tomography (ERT) and three magnetic resonance sounding (MRS) surveys. The average depth penetration was 60 and 100 m, respectively. The location of the ERT lines was decided based on general rift morphology and therefore orientated perpendicular to Urema Graben, from the transitional areas of the margins of the Barue platform in the west to the Cheringoma plateau escarpments in the east. ERT and MRS both indicate a second aquifer, where Urema Lake is a window of the first upper semi-confined aquifer, while the lower aquifer is confined by a clay layer 30-40 m thick. The location and depth of this aquifer suggest that it is probably linked to the Pungwe River which could be a main source of recharge during the dry season. If a dam or any other infra-structure is constructed in Pungwe River upstream of GNP, the groundwater level will decrease which could lead to drying out of Urema Lake.

  4. Subcortical atrophy is associated with cognitive impairment in mild Parkinson disease: a combined investigation of volumetric changes, cortical thickness, and vertex-based shape analysis.

    PubMed

    Mak, E; Bergsland, N; Dwyer, M G; Zivadinov, R; Kandiah, N

    2014-12-01

    The involvement of subcortical deep gray matter and cortical thinning associated with mild Parkinson disease remains poorly understood. We assessed cortical thickness and subcortical volumes in patients with Parkinson disease without dementia and evaluated their associations with cognitive dysfunction. The study included 90 patients with mild Parkinson disease without dementia. Neuropsychological assessments classified the sample into patients with mild cognitive impairment (n = 25) and patients without cognitive impairment (n = 65). Volumetric data for subcortical structures were obtained by using the FMRIB Integrated Registration and Segmentation Tool while whole-brain, gray and white matter volumes were estimated by using Structural Image Evaluation, with Normalization of Atrophy. Vertex-based shape analyses were performed to investigate shape differences in subcortical structures. Vertex-wise group differences in cortical thickness were also assessed. Volumetric comparisons between Parkinson disease with mild cognitive impairment and Parkinson disease with no cognitive impairment were performed by using ANCOVA. Associations of subcortical structures with both cognitive function and disease severity were assessed by using linear regression models. Compared with Parkinson disease with no cognitive impairment, Parkinson disease with mild cognitive impairment demonstrated reduced volumes of the thalamus (P = .03) and the nucleus accumbens (P = .04). Significant associations were found for the nucleus accumbens and putamen with performances on the attention/working memory domains (P < .05) and nucleus accumbens and language domains (P = .04). The 2 groups did not differ in measures of subcortical shape or in cortical thickness. Patients with Parkinson disease with mild cognitive impairment demonstrated reduced subcortical volumes, which were associated with cognitive deficits. The thalamus, nucleus accumbens, and putamen may serve as potential biomarkers for

  5. Breast cancer risk and 6q22.33: combined results from Breast Cancer Association Consortium and Consortium of Investigators on Modifiers of BRCA1/2.

    PubMed

    Kirchhoff, Tomas; Gaudet, Mia M; Antoniou, Antonis C; McGuffog, Lesley; Humphreys, Manjeet K; Dunning, Alison M; Bojesen, Stig E; Nordestgaard, Børge G; Flyger, Henrik; Kang, Daehee; Yoo, Keun-Young; Noh, Dong-Young; Ahn, Sei-Hyun; Dork, Thilo; Schürmann, Peter; Karstens, Johann H; Hillemanns, Peter; Couch, Fergus J; Olson, Janet; Vachon, Celine; Wang, Xianshu; Cox, Angela; Brock, Ian; Elliott, Graeme; Reed, Malcolm W R; Burwinkel, Barbara; Meindl, Alfons; Brauch, Hiltrud; Hamann, Ute; Ko, Yon-Dschun; Broeks, Annegien; Schmidt, Marjanka K; Van 't Veer, Laura J; Braaf, Linde M; Johnson, Nichola; Fletcher, Olivia; Gibson, Lorna; Peto, Julian; Turnbull, Clare; Seal, Sheila; Renwick, Anthony; Rahman, Nazneen; Wu, Pei-Ei; Yu, Jyh-Cherng; Hsiung, Chia-Ni; Shen, Chen-Yang; Southey, Melissa C; Hopper, John L; Hammet, Fleur; Van Dorpe, Thijs; Dieudonne, Anne-Sophie; Hatse, Sigrid; Lambrechts, Diether; Andrulis, Irene L; Bogdanova, Natalia; Antonenkova, Natalia; Rogov, Juri I; Prokofieva, Daria; Bermisheva, Marina; Khusnutdinova, Elza; van Asperen, Christi J; Tollenaar, Robert A E M; Hooning, Maartje J; Devilee, Peter; Margolin, Sara; Lindblom, Annika; Milne, Roger L; Arias, José Ignacio; Zamora, M Pilar; Benítez, Javier; Severi, Gianluca; Baglietto, Laura; Giles, Graham G; Spurdle, Amanda B; Beesley, Jonathan; Chen, Xiaoqing; Holland, Helene; Healey, Sue; Wang-Gohrke, Shan; Chang-Claude, Jenny; Mannermaa, Arto; Kosma, Veli-Matti; Kauppinen, Jaana; Kataja, Vesa; Agnarsson, Bjarni A; Caligo, Maria A; Godwin, Andrew K; Nevanlinna, Heli; Heikkinen, Tuomas; Fredericksen, Zachary; Lindor, Noralane; Nathanson, Katherine L; Domchek, Susan M; Loman, Niklas; Karlsson, Per; Stenmark Askmalm, Marie; Melin, Beatrice; von Wachenfeldt, Anna; Hogervorst, Frans B L; Verheus, Martijn; Rookus, Matti A; Seynaeve, Caroline; Oldenburg, Rogier A; Ligtenberg, Marjolijn J; Ausems, Margreet G E M; Aalfs, Cora M; Gille, Hans J P; Wijnen, Juul T; Gómez García, Encarna B; Peock, Susan; Cook, Margaret; Oliver, Clare T; Frost, Debra; Luccarini, Craig; Pichert, Gabriella; Davidson, Rosemarie; Chu, Carol; Eccles, Diana; Ong, Kai-Ren; Cook, Jackie; Douglas, Fiona; Hodgson, Shirley; Evans, D Gareth; Eeles, Rosalind; Gold, Bert; Pharoah, Paul D P; Offit, Kenneth; Chenevix-Trench, Georgia; Easton, Douglas F

    2012-01-01

    Recently, a locus on chromosome 6q22.33 (rs2180341) was reported to be associated with increased breast cancer risk in the Ashkenazi Jewish (AJ) population, and this association was also observed in populations of non-AJ European ancestry. In the present study, we performed a large replication analysis of rs2180341 using data from 31,428 invasive breast cancer cases and 34,700 controls collected from 25 studies in the Breast Cancer Association Consortium (BCAC). In addition, we evaluated whether rs2180341 modifies breast cancer risk in 3,361 BRCA1 and 2,020 BRCA2 carriers from 11 centers in the Consortium of Investigators of Modifiers of BRCA1/2 (CIMBA). Based on the BCAC data from women of European ancestry, we found evidence for a weak association with breast cancer risk for rs2180341 (per-allele odds ratio (OR) = 1.03, 95% CI 1.00-1.06, p = 0.023). There was evidence for heterogeneity in the ORs among studies (I(2) = 49.3%; p = <0.004). In CIMBA, we observed an inverse association with the minor allele of rs2180341 and breast cancer risk in BRCA1 mutation carriers (per-allele OR = 0.89, 95%CI 0.80-1.00, p = 0.048), indicating a potential protective effect of this allele. These data suggest that that 6q22.33 confers a weak effect on breast cancer risk.

  6. A lab-on-a-chip for hypoxic patch clamp measurements combined with optical tweezers and spectroscopy- first investigations of single biological cells.

    PubMed

    Alrifaiy, Ahmed; Borg, Johan; Lindahl, Olof A; Ramser, Kerstin

    2015-04-18

    The response and the reaction of the brain system to hypoxia is a vital research subject that requires special instrumentation. With this research subject in focus, a new multifunctional lab-on-a-chip (LOC) system with control over the oxygen content for studies on biological cells was developed. The chip was designed to incorporate the patch clamp technique, optical tweezers and absorption spectroscopy. The performance of the LOC was tested by a series of experiments. The oxygen content within the channels of the LOC was monitored by an oxygen sensor and verified by simultaneously studying the oxygenation state of chicken red blood cells (RBCs) with absorption spectra. The chicken RBCs were manipulated optically and steered in three dimensions towards a patch-clamp micropipette in a closed microfluidic channel. The oxygen level within the channels could be changed from a normoxic value of 18% O 2 to an anoxic value of 0.0-0.5% O 2. A time series of 3 experiments were performed, showing that the spectral transfer from the oxygenated to the deoxygenated state occurred after about 227 ± 1 s and a fully developed deoxygenated spectrum was observed after 298 ± 1 s, a mean value of 3 experiments. The tightness of the chamber to oxygen diffusion was verified by stopping the flow into the channel system while continuously recording absorption spectra showing an unchanged deoxygenated state during 5400 ± 2 s. A transfer of the oxygenated absorption spectra was achieved after 426 ± 1 s when exposing the cell to normoxic buffer. This showed the long time viability of the investigated cells. Successful patching and sealing were established on a trapped RBC and the whole-cell access (Ra) and membrane (Rm) resistances were measured to be 5.033 ± 0.412 M Ω and 889.7 ± 1.74 M Ω respectively.

  7. Combined meso-scale modeling and experimental investigation of the effect of mechanical damage on the transport properties of cementitious composites

    NASA Astrophysics Data System (ADS)

    Raghavan, Balaji; Niknezhad, Davood; Bernard, Fabrice; Kamali-Bernard, Siham

    2016-09-01

    The transport properties of cementitious composites such as concrete are important indicators of their durability, and are known to be heavily influenced by mechanical loading. In the current work, we use meso-scale hygro-mechanical modeling with a morphological 3D two phase mortar-aggregate model, in conjunction with experimentally obtained properties, to investigate the coupling between mechanical loading and damage and the permeability of the composite. The increase in permeability of a cylindrical test specimen at 28% aggregate fraction during a uniaxial displacement-controlled compression test at 85% of the peak load was measured using a gas permeameter. The mortar's mechanical behavior is assumed to follow the well-known compression damaged plasticity (CDP) model with isotropic damage, at varying thresholds, and obtained from different envelope curves. The damaged intrinsic permeability of the mortar evolves according to a logarithmic matching law with progressive loading. We fit the matching law parameters to the experimental result for the test specimen by inverse identification using our meso-scale model. We then subject a series of virtual composite specimens to quasi-static uniaxial compressive loading with varying boundary conditions to obtain the simulated damage and strain evolutions, and use the damage data and the previously identified parameters to determine the evolution of the macroscopic permeability tensor for the specimens, using a network model. We conduct a full parameter study by varying aggregate volume fraction, granulometric distribution, loading/boundary conditions and "matching law" parameters, as well as for different strain-damage thresholds and uniaxial loading envelope curves. Based on this study, we propose Avrami equation-based upper and lower bounds for the evolution of the damaged permeability of the composite.

  8. Breast Cancer Risk and 6q22.33: Combined Results from Breast Cancer Association Consortium and Consortium of Investigators on Modifiers of BRCA1/2

    PubMed Central

    Antoniou, Antonis C.; McGuffog, Lesley; Humphreys, Manjeet K.; Dunning, Alison M.; Bojesen, Stig E.; Nordestgaard, Børge G.; Flyger, Henrik; Kang, Daehee; Yoo, Keun-Young; Noh, Dong-Young; Ahn, Sei-Hyun; Dork, Thilo; Schürmann, Peter; Karstens, Johann H.; Hillemanns, Peter; Couch, Fergus J.; Olson, Janet; Vachon, Celine; Wang, Xianshu; Cox, Angela; Brock, Ian; Elliott, Graeme; Reed, Malcolm W.R.; Burwinkel, Barbara; Meindl, Alfons; Brauch, Hiltrud; Hamann, Ute; Ko, Yon-Dschun; Broeks, Annegien; Schmidt, Marjanka K.; Van ‘t Veer, Laura J.; Braaf, Linde M.; Johnson, Nichola; Fletcher, Olivia; Gibson, Lorna; Peto, Julian; Turnbull, Clare; Seal, Sheila; Renwick, Anthony; Rahman, Nazneen; Wu, Pei-Ei; Yu, Jyh-Cherng; Hsiung, Chia-Ni; Shen, Chen-Yang; Southey, Melissa C.; Hopper, John L.; Hammet, Fleur; Van Dorpe, Thijs; Dieudonne, Anne-Sophie; Hatse, Sigrid; Lambrechts, Diether; Andrulis, Irene L.; Bogdanova, Natalia; Antonenkova, Natalia; Rogov, Juri I.; Prokofieva, Daria; Bermisheva, Marina; Khusnutdinova, Elza; van Asperen, Christi J.; Tollenaar, Robert A.E.M.; Hooning, Maartje J.; Devilee, Peter; Margolin, Sara; Lindblom, Annika; Milne, Roger L.; Arias, José Ignacio; Zamora, M. Pilar; Benítez, Javier; Severi, Gianluca; Baglietto, Laura; Giles, Graham G.; kConFab; Group, AOCS Study; Spurdle, Amanda B.; Beesley, Jonathan; Chen, Xiaoqing; Holland, Helene; Healey, Sue; Wang-Gohrke, Shan; Chang-Claude, Jenny; Mannermaa, Arto; Kosma, Veli-Matti; Kauppinen, Jaana; Kataja, Vesa; Agnarsson, Bjarni A.; Caligo, Maria A.; Godwin, Andrew K.; Nevanlinna, Heli; Heikkinen, Tuomas; Fredericksen, Zachary; Lindor, Noralane; Nathanson, Katherine L.; Domchek, Susan M.; SWE-BRCA; Loman, Niklas; Karlsson, Per; Askmalm, Marie Stenmark; Melin, Beatrice; von Wachenfeldt, Anna; HEBON; Hogervorst, Frans B. L.; Verheus, Martijn; Rookus, Matti A.; Seynaeve, Caroline; Oldenburg, Rogier A.; Ligtenberg, Marjolijn J.; Ausems, Margreet G.E.M.; Aalfs, Cora M.; Gille, Hans J.P.; Wijnen, Juul T.; Gómez García, Encarna B.; EMBRACE; Peock, Susan; Cook, Margaret; Oliver, Clare T.; Frost, Debra; Luccarini, Craig; Pichert, Gabriella; Davidson, Rosemarie; Chu, Carol; Eccles, Diana; Ong, Kai-Ren; Cook, Jackie; Douglas, Fiona; Hodgson, Shirley; Evans, D. Gareth; Eeles, Rosalind; Gold, Bert; Pharoah, Paul D.P.; Offit, Kenneth; Chenevix-Trench, Georgia; Easton, Douglas F.

    2012-01-01

    Recently, a locus on chromosome 6q22.33 (rs2180341) was reported to be associated with increased breast cancer risk in the Ashkenazi Jewish (AJ) population, and this association was also observed in populations of non-AJ European ancestry. In the present study, we performed a large replication analysis of rs2180341 using data from 31,428 invasive breast cancer cases and 34,700 controls collected from 25 studies in the Breast Cancer Association Consortium (BCAC). In addition, we evaluated whether rs2180341 modifies breast cancer risk in 3,361 BRCA1 and 2,020 BRCA2 carriers from 11 centers in the Consortium of Investigators of Modifiers of BRCA1/2 (CIMBA). Based on the BCAC data from women of European ancestry, we found evidence for a weak association with breast cancer risk for rs2180341 (per-allele odds ratio (OR) = 1.03, 95% CI 1.00–1.06, p = 0.023). There was evidence for heterogeneity in the ORs among studies (I2 = 49.3%; p = <0.004). In CIMBA, we observed an inverse association with the minor allele of rs2180341 and breast cancer risk in BRCA1 mutation carriers (per-allele OR = 0.89, 95%CI 0.80–1.00, p = 0.048), indicating a potential protective effect of this allele. These data suggest that that 6q22.33 confers a weak effect on breast cancer risk. PMID:22768030

  9. Investigation and incorporation of water inflow uncertainties through stochastic modelling in a combined optimisation methodology for water allocation in Alfeios River (Greece)

    NASA Astrophysics Data System (ADS)

    Bekri, Eleni; Yannopoulos, Panayotis; Disse, Markus

    2014-05-01

    The Alfeios River plays a vital role for Western Peloponnisos in Greece from natural, ecological, social and economic aspect. The main river and its six tributaries, forming the longest watercourse and the highest streamflow rate of Peloponnisose, represent a significant source of water supply for the region, aiming at delivering and satisfying the expected demands from a variety of water users, including irrigation, drinking water supply, hydropower production and recreation. In the previous EGU General Assembly, a fuzzy-boundary-interval linear programming methodology, based on Li et al. (2010) and Bekri et al. (2012), has been presented for optimal water allocation under uncertain and vague system conditions in the Alfeios River Basin. Uncertainties associated with the benefit and cost coefficient in the objective function of the main water uses (hydropower production and irrigation) were expressed as probability distributions and fuzzy boundary intervals derived by associated α-cut levels. The uncertainty of the monthly water inflows was not incorporated in the previous initial application and the analysis of all other sources of uncertainty has been applied to two extreme hydrologic years represented by a selected wet and dry year. To manage and operate the river system, decision makers should be able to analyze and evaluate the impact of various hydrologic scenarios. In the present work, the critical uncertain parameter of water inflows is analyzed and its incorporation as an additional type of uncertainty in the suggested methodology is investigated, in order to enable the assessment of optimal water allocation for hydrologic and socio-economic scenarios based both on historical data and projected climate change conditions. For this purpose, stochastic simulation analysis for a part of the Alfeios river system is undertaken, testing various stochastic models from simple stationary ones (AR and ARMA), Thomas-Fiering, ARIMA as well as more sophisticated and

  10. Spatial distribution of neutral oxygen vacancies on ZnO nanowire surfaces: An investigation combining confocal microscopy and first principles calculations

    NASA Astrophysics Data System (ADS)

    Mun Wong, Kin; Alay-e-Abbas, S. M.; Fang, Yaoguo; Shaukat, A.; Lei, Yong

    2013-07-01

    A qualitative approach using room-temperature confocal microscopy is employed to investigate the spatial distribution of shallow and deep oxygen vacancy (VO) concentrations on the polar (0001) and non-polar (101¯0) surfaces of zinc oxide (ZnO) nanowires (NWs). Using the spectral intensity variation of the confocal photoluminescence of the green emission at different spatial locations on the surface, the VO concentrations of an individual ZnO NW can be obtained. The green emission at different spatial locations on the ZnO NW polar (0001) and non-polar (101¯0) surfaces is found to have maximum intensity near the NW edges, decreasing to a minimum near the NW center. First-principles calculations using simple supercell-slab (SS) models are employed to approximate/model the defects on the ZnO NW (101¯0) and (0001) surfaces. These calculations give increased insight into the physical mechanism behind the green emission spectral intensity and the characteristics of an individual ZnO NW. The highly accurate density functional theory (DFT)-based full-potential linearized augmented plane-wave plus local orbitals (FP-LAPW + lo) method is used to compute the defect formation energy (DFE) of the SSs. Previously, using these SS models, it was demonstrated through the FP-LAPW + lo method that in the presence of oxygen vacancies at the (0001) surface, the phase transformation of the SSs in the graphite-like structure to the wurtzite lattice structure will occur even if the thickness of the graphite-like SSs are equal to or less than 4 atomic graphite-like layers [Wong et al., J. Appl. Phys. 113, 014304 (2013)]. The spatial profile of the neutral VO DFEs from the DFT calculations along the ZnO [0001] and [101¯0] directions is found to reasonably explain the spatial profile of the measured confocal luminescence intensity on these surfaces, leading to the conclusion that the green emission spectra of the NWs likely originate from neutral oxygen vacancies. Another significant

  11. A combined crossed beam and theoretical investigation of O(3P)+C3H3→C3H2+OH

    NASA Astrophysics Data System (ADS)

    Lee, Hohjai; Joo, Sun-Kyu; Kwon, Lee-Kyoung; Choi, Jong-Ho

    2004-02-01

    The radical-radical reaction dynamics of ground-state atomic oxygen [O(3P)] with propargyl radicals (C3H3) has first been investigated in a crossed beam configuration. The radical reactants O(3P) and C3H3 were produced by the photodissociation of NO2 and the supersonic flash pyrolysis of precursor propargyl bromide, respectively. A new exothermic channel of O(3P)+C3H3→C3H2+OH was identified and the nascent distributions of the product OH in the ground vibrational state (X 2Π:ν″=0) showed bimodal rotational excitations composed of the low- and high-N″ components without spin-orbit propensities. The averaged ratios of Π(A')/Π(A″) were determined to be 0.60±0.28. With the aid of ab initio theory it is predicted that on the lowest doublet potential energy surface, the reaction proceeds via the addition complexes formed through the barrierless addition of O(3P) to C3H3. The common direct abstraction pathway through a collinear geometry does not occur due to the high entrance barrier in our low collision energy regime. In addition, the major reaction channel is calculated to be the formation of propynal (CHCCHO)+H, and the counterpart C3H2 of the probed OH product in the title reaction is cyclopropenylidene (1c-C3H2) after considering the factors of barrier height, reaction enthalpy and structural features of the intermediates formed along the reaction coordinate. On the basis of the statistical prior and rotational surprisal analyses, the ratio of population partitioning for the low- and high-N″ is found to be about 1:2, and the reaction is described in terms of two competing addition-complex mechanisms: a major short-lived dynamic complex and a minor long-lived statistical complex. The observed unusual reaction mechanism stands in sharp contrast with the reaction of O(3P) with allyl radical (C3H5), a second significant conjugated hydrocarbon radical, which shows totally dynamic processes [J. Chem. Phys. 117, 2017 (2002)], and should be understood based

  12. A combined palaeomagnetic and environmental magnetic investigation of Late Glacial loess from the Middle Danube Basin (Süttö, Hungary)

    NASA Astrophysics Data System (ADS)

    Rolf, Christian; Hambach, Ulrich; Novothny, Agnes; Schnepp, Elisabeth; Worm, Kathrin

    2010-05-01

    In July 2008 and in August 2009 sampling for palaeomagnetic and environmental magnetic research was carried out at a 20 m thick Upper Pleistocene loess-palaeosol sequence near Süttö (North Hungary) in order to establish a high resolution palaeomagnetic record. Aeolian dust was deposited worldwide during dry/cold periods of the recent geological past. Alternating environmental conditions (dry/cold; humid/warm) after deposition led to loess-paleosol sequences (LPSS) covering wide parts of the continents and provi