Concentration and size dependence of peak wavelength shift on quantum dots in colloidal suspension

NASA Astrophysics Data System (ADS)

Rinehart, Benjamin S.; Cao, Caroline G. L.

2016-08-01

Quantum dots (QDs) are semiconductor nanocrystals that have significant advantages over organic fluorophores, including their extremely narrow Gaussian emission bands and broad absorption bands. Thus, QDs have a wide range of potential applications, such as in quantum computing, photovoltaic cells, biological sensing, and electronics. For these applications, aliasing provides a detrimental effect on signal identification efficiency. This can be avoided through characterization of the QD fluorescence signals. Characterization of the emissivity of CdTe QDs as a function of concentration (1 to 10 mg/ml aqueous) was conducted on 12 commercially available CdTe QDs (emission peaks 550 to 730 nm). The samples were excited by a 50-mW 405-nm laser with emission collected via a free-space CCD spectrometer. All QDs showed a redshift effect as concentration increased. On average, the CdTe QDs exhibited a maximum shift of +35.6 nm at 10 mg/ml and a minimum shift of +27.24 nm at 1 mg/ml, indicating a concentration dependence for shift magnitude. The concentration-dependent redshift function can be used to predict emission response as QD concentration is changed in a complex system.

Effect of polishing instruments and polishing regimens on surface topography and phase transformation of monolithic zirconia: An evaluation with XPS and XRD analysis.

PubMed

Al-Haj Husain, Nadin; Camilleri, Josette; Özcan, Mutlu

2016-12-01

Polishing procedures might alter monolithic zirconia (MZ) surface resulting in phase changes that can be deleterious for clinical performance and antagonist tooth wear. This study investigated the topographical features and phase transformation in MZ after polishing with different regimens simulating the clinical workflow. ​ MZ specimens (Katana Zirconia HT, Kuraray-Noritake) (12×12×1.8 mm(3)) were grinded and polished using one of the five systems assessed: BG: Silicone carbide polishers (Brownie, Greenie, Super Greenie); CG: Diamond impregnated ceramic polisher kit (Ceragloss); EV: Synthetically bonded grinder interspersed with diamond (EVE Kit); SL: Urethane coated paper with aluminium oxide grits (Soflex Finishing and Polishing System Kit) and DB: Diamond bur (8 µm). Polished specimens were initially roughened with 220 µm diamond burs (Grinding Bur-GB) (10 s, 160.000160,000 rpm) and considered for baseline measurements. Polishing regimens were performed for 10 s using a slow-speed hand piece under water-cooling except for SL, in a custom made device (750 g; 5000 and 75,000 rpm). Surface roughnesses, phase changes (XRD) were assessed, surface characterization was performed (SEM, EDS). The highest roughness was obtained with the EV system (1.11 µm) compared to those of other systems (0.13-0.4 µm) (pθ and minor peak at 34.94°2θ. While GB, CG, EV, SL and DB exhibited a peak shift to the left, BG demonstrated a right peak shift on the 2θ scale. Monoclinic phase change was not noted in any of the groups. All polishing methods, except BG, exhibited a peak shift towards the lower angles of the 2-theta scale. Since the peak shifts were in the order of fractions of an angle they are attributed to stress formation rather than a phase change in the material. Thus, all polishing systems tested may not be detrimental for the phase transformation of MZ. EV system resulted in the highest roughness and none of the polishing regimens restored the polishability to the

Pre-"peak water" time in the southwest Yukon: when cryospheric changes trigger hydrological regime shifts

NASA Astrophysics Data System (ADS)

Baraer, M.; Chesnokova, A.; Huh, K. I.; Laperriere-Robillard, T.

2017-12-01

Saint-Elias Mountains host numerous cryospheric systems such as glaciers, seasonal and perennial snow cover, permafrost, aufeis, and different forms of buried ice. Those systems are very sensitive to climate changes and exhibit ongoing reduction in extent and/or changes in formation/ablation times. Because they highly influence the hydrological regimes of rivers, cryospheric changes raise concerns about consequences for regional water resources and ecosystems. The present study combines historical data analysis and hydrological modeling in order to estimate how cryospheric changes impact hydrological regimes at eight watersheds of different glacier cover (0- 30%) in the southwest Yukon. Methods combine traditional hydrograph analysis techniques and more advance techniques such as Fast Fourier Transform filters used to isolate significant trends in discharge properties from noise or climatic oscillations. Measured trends in discharge variables are connected to cryospheric changes by using a water balance / peak water model (Baraer et al., 2012), here adapted to the main cryospheric systems that characterize the southwest Yukon.Results show three distinct hydrological regimes for (1) non glacierized, (2) glacierized, and (3) major lakes hosting catchments. The studied glacierized catchments have not passed the "peak water" yet and still exhibit increases in yearly and late summer discharges and a decrease in runoff variability. All watersheds show an increase in winter discharge and a snowmelt-driven shift of yearly peak discharge toward earlier in the season. The study suggests that, in a couple of decades, water resources and dependent ecosystems will face the combined effects of (A) a shift in the contribution trend from declining perennial cryospheric systems and (B) continuing alteration of the contribution from the seasonal cryospheric systems.

Ocular Measures of Sleepiness Are Increased in Night Shift Workers Undergoing a Simulated Night Shift Near the Peak Time of the 6-Sulfatoxymelatonin Rhythm

PubMed Central

Ftouni, Suzanne; Sletten, Tracey L.; Nicholas, Christian L.; Kennaway, David J.; Lockley, Steven W.; Rajaratnam, Shantha M.W.

2015-01-01

Study Objectives: The study examined the relationship between the circadian rhythm of 6-sulphatoxymelatonin (aMT6s) and ocular measures of sleepiness and neurobehavioral performance in shift workers undergoing a simulated night shift. Methods: Twenty-two shift workers (mean age 33.4, SD 11.8 years) were tested at approximately the beginning (20:00) and the end (05:55) of a simulated night shift in the laboratory. At the time point corresponding to the end of the simulated shift, 14 participants were classified as being within range of 6-sulphatoxymelatonin (aMT6s) acrophase— defined as 3 hours before or after aMT6s peak—and 8 were classified as outside aMT6s acrophase range. Participants completed the Karolinska Sleepiness Scale (KSS) and the auditory psychomotor vigilance task (aPVT). Waking electroencephalography (EEG) was recorded and infrared reflectance oculography was used to collect ocular measures of sleepiness: positive and negative amplitude/velocity ratio (PosAVR, NegAVR), mean blink total duration (BTD), the percentage of eye closure (%TEC), and a composite score of sleepiness levels (Johns Drowsiness Scale; JDS). Results: Participants who were tested within aMT6s acrophase range displayed higher levels of sleepiness on ocular measures (%TEC, BTD, PosAVR, JDS), objective sleepiness (EEG delta power frequency band), subjective ratings of sleepiness, and neurobehavioral performance, compared to those who were outside aMT6s acrophase range. Conclusions: The study demonstrated that objective ocular measures of sleepiness are sensitive to circadian rhythm misalignment in shift workers. Citation: Ftouni S, Sletten TL, Nicholas CL, Kennaway DJ, Lockley SW, Rajaratnam SM. Ocular measures of sleepiness are increased in night shift workers undergoing a simulated night shift near the peak time of the 6-sulfatoxymelatonin rhythm. J Clin Sleep Med 2015;11(10):1131–1141. PMID:26094925

Peak broadening and peak shift pole figures investigations by STRESS-SPEC diffractometer at FRM II

NASA Astrophysics Data System (ADS)

Gan, W. M.; Randau, C.; Hofmann, M.; Brokmeier, H. G.; Mueller, M.; Schreyer, A.

2012-02-01

This paper studied for the first time peak intensity, peak position and FHWM pole figures with one time measurement at the neutron diffractometer STRESS-SPEC via in-situ tensile deformation on austenitic steel. Fibre distribution with its evolution from central tensile direction to normal direction of these three kinds of pole figures was obtained. Variation of peak position and FWHM can be correlated to the reorientation of the texture component.

Improvement of Bragg peak shift estimation using dimensionality reduction techniques and predictive linear modeling

NASA Astrophysics Data System (ADS)

Xing, Yafei; Macq, Benoit

2017-11-01

With the emergence of clinical prototypes and first patient acquisitions for proton therapy, the research on prompt gamma imaging is aiming at making most use of the prompt gamma data for in vivo estimation of any shift from expected Bragg peak (BP). The simple problem of matching the measured prompt gamma profile of each pencil beam with a reference simulation from the treatment plan is actually made complex by uncertainties which can translate into distortions during treatment. We will illustrate this challenge and demonstrate the robustness of a predictive linear model we proposed for BP shift estimation based on principal component analysis (PCA) method. It considered the first clinical knife-edge slit camera design in use with anthropomorphic phantom CT data. Particularly, 4115 error scenarios were simulated for the learning model. PCA was applied to the training input randomly chosen from 500 scenarios for eliminating data collinearities. A total variance of 99.95% was used for representing the testing input from 3615 scenarios. This model improved the BP shift estimation by an average of 63+/-19% in a range between -2.5% and 86%, comparing to our previous profile shift (PS) method. The robustness of our method was demonstrated by a comparative study conducted by applying 1000 times Poisson noise to each profile. 67% cases obtained by the learning model had lower prediction errors than those obtained by PS method. The estimation accuracy ranged between 0.31 +/- 0.22 mm and 1.84 +/- 8.98 mm for the learning model, while for PS method it ranged between 0.3 +/- 0.25 mm and 20.71 +/- 8.38 mm.

The shifting nature of vegetation controls on peak snowpack with varying slope and aspect

NASA Astrophysics Data System (ADS)

Biederman, J. A.; Harpold, A. A.; Broxton, P. D.; Brooks, P. D.

2012-12-01

The controls on peak seasonal snowpack are known to shift between forested and open environments as well as with slope and aspect. Peak snowpack is predicted well by interception models under uniformly dense canopy, while topography, wind and radiation are strong predictors in open areas. However, many basins have complex mosaics of forest canopy and small gaps, where snowpack controls involve complex interactions among climate, topography and forest structure. In this presentation we use a new fully distributed tree-scale model to investigate vegetation controls on snowpack for a range of slope and aspect, and we evaluate the energy balance in forest canopy and gap environments. The model is informed by airborne LiDAR and ground-based observations of climate, vegetation and snowpack. It represents interception, snow distribution by wind, latent and sensible heat fluxes, and radiative fluxes above and below the canopy at a grid scale of 1 m square on an hourly time step. First, the model is minimally calibrated using continuous records of snow depth and snow water equivalent (SWE). Next, the model is evaluated using distributed observations at peak accumulation. Finally, the domain is synthetically altered to introduce ranges of slope and aspect. Northerly aspects accumulate greater peak SWE than southerly aspects (e.g. 275 mm vs. 250 mm at a slope of 28 %) but show lower spatial variability (e. g. CV = 0.14 vs. CV = 0.17 at slope of 28 %). On northerly aspects, most of the snowpack remains shaded by vegetation, whereas on southerly aspects the northern portions of gaps and southern forest edges receive direct insolation during late winter. This difference in net radiation makes peak SWE in forest gaps and adjacent forest edges more sensitive to topography than SWE in areas under dense canopy. Tree-scale modeling of snow dynamics over synthetic terrain offers extensive possibilities to test interactions among vegetation and topographic controls.

Evidence for a Peak Shift in a Humoral Response to Helminths: Age Profiles of IgE in the Shuar of Ecuador, the Tsimane of Bolivia, and the U.S. NHANES

PubMed Central

Blackwell, Aaron D.; Gurven, Michael D.; Sugiyama, Lawrence S.; Madimenos, Felicia C.; Liebert, Melissa A.; Martin, Melanie A.; Kaplan, Hillard S.; Snodgrass, J. Josh

2011-01-01

Background The peak shift model predicts that the age-profile of a pathogen's prevalence depends upon its transmission rate, peaking earlier in populations with higher transmission and declining as partial immunity is acquired. Helminth infections are associated with increased immunoglobulin E (IgE), which may convey partial immunity and influence the peak shift. Although studies have noted peak shifts in helminths, corresponding peak shifts in total IgE have not been investigated, nor has the age-patterning been carefully examined across populations. We test for differences in the age-patterning of IgE between two South American forager-horticulturalist populations and the United States: the Tsimane of Bolivia (n = 832), the Shuar of Ecuador (n = 289), and the U.S. NHANES (n = 8,336). We then examine the relationship between total IgE and helminth prevalences in the Tsimane. Methodology/Principal Findings Total IgE levels were assessed in serum and dried blood spots and age-patterns examined with non-linear regression models. Tsimane had the highest IgE (geometric mean  = 8,182 IU/ml), followed by Shuar (1,252 IU/ml), and NHANES (52 IU/ml). Consistent with predictions, higher population IgE was associated with steeper increases at early ages and earlier peaks: Tsimane IgE peaked at 7 years, Shuar at 10 years, and NHANES at 17 years. For Tsimane, the age-pattern was compared with fecal helminth prevalences. Overall, 57% had detectable eggs or larva, with hookworm (45.4%) and Ascaris lumbricoides (19.9%) the most prevalent. The peak in total IgE occurred around the peak in A. lumbricoides, which was associated with higher IgE in children <10, but with lower IgE in adolescents. Conclusions The age-patterning suggests a peak shift in total IgE similar to that seen in helminth infections, particularly A. lumbricoides. This age-patterning may have implications for understanding the effects of helminths on other health outcomes, such as allergy, growth

Evidence for a peak shift in a humoral response to helminths: age profiles of IgE in the Shuar of Ecuador, the Tsimane of Bolivia, and the U.S. NHANES.

PubMed

Blackwell, Aaron D; Gurven, Michael D; Sugiyama, Lawrence S; Madimenos, Felicia C; Liebert, Melissa A; Martin, Melanie A; Kaplan, Hillard S; Snodgrass, J Josh

2011-06-01

The peak shift model predicts that the age-profile of a pathogen's prevalence depends upon its transmission rate, peaking earlier in populations with higher transmission and declining as partial immunity is acquired. Helminth infections are associated with increased immunoglobulin E (IgE), which may convey partial immunity and influence the peak shift. Although studies have noted peak shifts in helminths, corresponding peak shifts in total IgE have not been investigated, nor has the age-patterning been carefully examined across populations. We test for differences in the age-patterning of IgE between two South American forager-horticulturalist populations and the United States: the Tsimane of Bolivia (n=832), the Shuar of Ecuador (n=289), and the U.S. NHANES (n=8,336). We then examine the relationship between total IgE and helminth prevalences in the Tsimane. Total IgE levels were assessed in serum and dried blood spots and age-patterns examined with non-linear regression models. Tsimane had the highest IgE (geometric mean =8,182 IU/ml), followed by Shuar (1,252 IU/ml), and NHANES (52 IU/ml). Consistent with predictions, higher population IgE was associated with steeper increases at early ages and earlier peaks: Tsimane IgE peaked at 7 years, Shuar at 10 years, and NHANES at 17 years. For Tsimane, the age-pattern was compared with fecal helminth prevalences. Overall, 57% had detectable eggs or larva, with hookworm (45.4%) and Ascaris lumbricoides (19.9%) the most prevalent. The peak in total IgE occurred around the peak in A. lumbricoides, which was associated with higher IgE in children <10, but with lower IgE in adolescents. The age-patterning suggests a peak shift in total IgE similar to that seen in helminth infections, particularly A. lumbricoides. This age-patterning may have implications for understanding the effects of helminths on other health outcomes, such as allergy, growth, and response to childhood vaccination.

Use of Residential Smart Appliances for Peak-Load Shifting and Spinning Reserves Cost/Benefit Analysis

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

Sastry, Chellury; Pratt, Robert G.; Srivastava, Viraj

2010-12-01

In this report, we present the results of an analytical cost/benefit study of residential smart appliances from a utility/grid perspective in support of a joint stakeholder petition to the ENERGY STAR program within the Environmental Protection Agency (EPA) and Department of Energy (DOE). The goal of the petition is in part to provide appliance manufacturers incentives to hasten the production of smart appliances. The underlying hypothesis is that smart appliances can play a critical role in addressing some of the societal challenges, such as anthropogenic global warming, associated with increased electricity demand, and facilitate increased penetration of renewable sources ofmore » power. The appliances we consider include refrigerator/freezers, clothes washers, clothes dryers, room air-conditioners, and dishwashers. The petition requests the recognition that providing an appliance with smart grid capability, i.e., products that meet the definition of a smart appliance, is at least equivalent to a corresponding five percent in operational machine efficiencies. It is then expected that given sufficient incentives and value propositions, and suitable automation capabilities built into smart appliances, residential consumers will be adopting these smart appliances and will be willing participants in addressing the aforementioned societal challenges by more effectively managing their home electricity consumption. The analytical model we utilize in our cost/benefit analysis consists of a set of user-definable assumptions such as the definition of on-peak (hours of day, days of week, months of year), the expected percentage of normal consumer electricity consumption (also referred to as appliance loads) that can shifted from peak hours to off-peak hours, the average power rating of each appliance, etc. Based on these assumptions, we then formulate what the wholesale grid operating-cost savings, or benefits, would be if the smart capabilities of appliances were invoked

Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY.

PubMed

Koradi, R; Billeter, M; Engeli, M; Güntert, P; Wüthrich, K

1998-12-01

A new approach for automated peak picking of multidimensional protein NMR spectra with strong overlap is introduced, which makes use of the program AUTOPSY (automated peak picking for NMR spectroscopy). The main elements of this program are a novel function for local noise level calculation, the use of symmetry considerations, and the use of lineshapes extracted from well-separated peaks for resolving groups of strongly overlapping peaks. The algorithm generates peak lists with precise chemical shift and integral intensities, and a reliability measure for the recognition of each peak. The results of automated peak picking of NOESY spectra with AUTOPSY were tested in combination with the combined automated NOESY cross peak assignment and structure calculation routine NOAH implemented in the program DYANA. The quality of the resulting structures was found to be comparable with those from corresponding data obtained with manual peak picking. Copyright 1998 Academic Press.

Comparative analysis of peak-detection techniques for comprehensive two-dimensional chromatography.

PubMed

Latha, Indu; Reichenbach, Stephen E; Tao, Qingping

2011-09-23

Comprehensive two-dimensional gas chromatography (GC×GC) is a powerful technology for separating complex samples. The typical goal of GC×GC peak detection is to aggregate data points of analyte peaks based on their retention times and intensities. Two techniques commonly used for two-dimensional peak detection are the two-step algorithm and the watershed algorithm. A recent study [4] compared the performance of the two-step and watershed algorithms for GC×GC data with retention-time shifts in the second-column separations. In that analysis, the peak retention-time shifts were corrected while applying the two-step algorithm but the watershed algorithm was applied without shift correction. The results indicated that the watershed algorithm has a higher probability of erroneously splitting a single two-dimensional peak than the two-step approach. This paper reconsiders the analysis by comparing peak-detection performance for resolved peaks after correcting retention-time shifts for both the two-step and watershed algorithms. Simulations with wide-ranging conditions indicate that when shift correction is employed with both algorithms, the watershed algorithm detects resolved peaks with greater accuracy than the two-step method. Copyright © 2011 Elsevier B.V. All rights reserved.

Evaluation of Cation Migration in Lanthanum Strontium Cobalt Ferrite Solid Oxide Fuel Cell Cathodes via In-operando X-ray Diffraction

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

Hardy, John S.; Coyle, Christopher A.; Bonnett, Jeff F.

2018-01-28

Anode-supported SOFCs with LSCF-6428 cathodes were operated at various temperatures for hundreds of hours in dry or humid (~3% water) cathode air with continuous cathode XRD. Additionally, one cell in dry air was held at OCV and another had 12% CO2 added to the humid air. Long cumulative XRD count times allowed identification of minor phases at <0.1 wt%. In humid air, performance improved during the first couple of hundred hours and Fe-rich Fe,Co spinel XRD peaks gradually shifted to lower angles while nano-nodules formed on LSCF surfaces. With 12% CO2 added, performance degraded after initial activation, unlike without CO2,more » where stability followed activation. In CO2, LSCF XRD peaks shifted indicating gradual decomposition. In dry air, fast initial degradation that decelerated over time occurred at constant current while the cell at OCV was stable. At OCV and 750°C or at constant current and 700°C in dry air, Fe-rich spinel XRD peaks shifted more slowly than in humid air tests; Co-rich Fe,Co spinel peaks shifted to higher angles; and SEM discovered smaller nano-nodules on LSCF than after humid air tests. At constant current at 750°C and 800°C in dry air, no nano-nodules or gradual changes in the XRD patterns were discovered.« less

Matching 4.7-Å XRD spacing in amelogenin nanoribbons and enamel matrix.

PubMed

Sanii, B; Martinez-Avila, O; Simpliciano, C; Zuckermann, R N; Habelitz, S

2014-09-01

The recent discovery of conditions that induce nanoribbon structures of amelogenin protein in vitro raises questions about their role in enamel formation. Nanoribbons of recombinant human full-length amelogenin (rH174) are about 17 nm wide and self-align into parallel bundles; thus, they could act as templates for crystallization of nanofibrous apatite comprising dental enamel. Here we analyzed the secondary structures of nanoribbon amelogenin by x-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) and tested if the structural motif matches previous data on the organic matrix of enamel. XRD analysis showed that a peak corresponding to 4.7 Å is present in nanoribbons of amelogenin. In addition, FTIR analysis showed that amelogenin in the form of nanoribbons was comprised of β-sheets by up to 75%, while amelogenin nanospheres had predominantly random-coil structure. The observation of a 4.7-Å XRD spacing confirms the presence of β-sheets and illustrates structural parallels between the in vitro assemblies and structural motifs in developing enamel. © International & American Associations for Dental Research.

Matching 4.7-Å XRD Spacing in Amelogenin Nanoribbons and Enamel Matrix

PubMed Central

Sanii, B.; Martinez-Avila, O.; Simpliciano, C.; Zuckermann, R.N.; Habelitz, S.

2014-01-01

The recent discovery of conditions that induce nanoribbon structures of amelogenin protein in vitro raises questions about their role in enamel formation. Nanoribbons of recombinant human full-length amelogenin (rH174) are about 17 nm wide and self-align into parallel bundles; thus, they could act as templates for crystallization of nanofibrous apatite comprising dental enamel. Here we analyzed the secondary structures of nanoribbon amelogenin by x-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) and tested if the structural motif matches previous data on the organic matrix of enamel. XRD analysis showed that a peak corresponding to 4.7 Å is present in nanoribbons of amelogenin. In addition, FTIR analysis showed that amelogenin in the form of nanoribbons was comprised of β-sheets by up to 75%, while amelogenin nanospheres had predominantly random-coil structure. The observation of a 4.7-Å XRD spacing confirms the presence of β-sheets and illustrates structural parallels between the in vitro assemblies and structural motifs in developing enamel. PMID:25048248

Reversible photo-induced trap formation in mixed-halide hybrid perovskites for photovoltaics† †Electronic supplementary information (ESI) available: Experimental details, PL, PDS spectra and XRD patterns. See DOI: 10.1039/c4sc03141e Click here for additional data file.

PubMed Central

Hoke, Eric T.; Slotcavage, Daniel J.; Dohner, Emma R.; Bowring, Andrea R.

2015-01-01

We report on reversible, light-induced transformations in (CH3NH3)Pb(BrxI1–x)3. Photoluminescence (PL) spectra of these perovskites develop a new, red-shifted peak at 1.68 eV that grows in intensity under constant, 1-sun illumination in less than a minute. This is accompanied by an increase in sub-bandgap absorption at ∼1.7 eV, indicating the formation of luminescent trap states. Light soaking causes a splitting of X-ray diffraction (XRD) peaks, suggesting segregation into two crystalline phases. Surprisingly, these photo-induced changes are fully reversible; the XRD patterns and the PL and absorption spectra revert to their initial states after the materials are left for a few minutes in the dark. We speculate that photoexcitation may cause halide segregation into iodide-rich minority and bromide-enriched majority domains, the former acting as a recombination center trap. This instability may limit achievable voltages from some mixed-halide perovskite solar cells and could have implications for the photostability of halide perovskites used in optoelectronics. PMID:28706629

An improved peak frequency shift method for Q estimation based on generalized seismic wavelet function

NASA Astrophysics Data System (ADS)

Wang, Qian; Gao, Jinghuai

2018-02-01

As a powerful tool for hydrocarbon detection and reservoir characterization, the quality factor, Q, provides useful information in seismic data processing and interpretation. In this paper, we propose a novel method for Q estimation. The generalized seismic wavelet (GSW) function was introduced to fit the amplitude spectrum of seismic waveforms with two parameters: fractional value and reference frequency. Then we derive an analytical relation between the GSW function and the Q factor of the medium. When a seismic wave propagates through a viscoelastic medium, the GSW function can be employed to fit the amplitude spectrum of the source and attenuated wavelets, then the fractional values and reference frequencies can be evaluated numerically from the discrete Fourier spectrum. After calculating the peak frequency based on the obtained fractional value and reference frequency, the relationship between the GSW function and the Q factor can be built by the conventional peak frequency shift method. Synthetic tests indicate that our method can achieve higher accuracy and be more robust to random noise compared with existing methods. Furthermore, the proposed method is applicable to different types of source wavelet. Field data application also demonstrates the effectiveness of our method in seismic attenuation and the potential in the reservoir characteristic.

XRD measurement of mean thickness, thickness distribution and strain for illite and illite-smectite crystallites by the Bertaut-Warren-Averbach technique

USGS Publications Warehouse

Drits, Victor A.; Eberl, Dennis D.; Środoń, Jan

1998-01-01

A modified version of the Bertaut-Warren-Averbach (BWA) technique (Bertaut 1949, 1950; Warren and Averbach 1950) has been developed to measure coherent scattering domain (CSD) sizes and strains in minerals by analysis of X-ray diffraction (XRD) data. This method is used to measure CSD thickness distributions for calculated and experimental XRD patterns of illites and illite-smectites (I-S). The method almost exactly recovers CSD thickness distributions for calculated illite XRD patterns. Natural I-S samples contain swelling layers that lead to nonperiodic structures in the c* direction and to XRD peaks that are broadened and made asymmetric by mixed layering. Therefore, these peaks cannot be analyzed by the BWA method. These difficulties are overcome by K-saturation and heating prior to X-ray analysis in order to form 10-Å periodic structures. BWA analysis yields the thickness distribution of mixed-layer crystals (coherently diffracting stacks of fundamental illite particles). For most I-S samples, CSD thickness distributions can be approximated by lognormal functions. Mixed-layer crystal mean thickness and expandability then can be used to calculate fundamental illite particle mean thickness. Analyses of the dehydrated, K-saturated samples indicate that basal XRD reflections are broadened by symmetrical strain that may be related to local variations in smectite interlayers caused by dehydration, and that the standard deviation of the strain increases regularly with expandability. The 001 and 002 reflections are affected only slightly by this strain and therefore are suited for CSD thickness analysis. Mean mixed-layer crystal thicknesses for dehydrated I-S measured by the BWA method are very close to those measured by an integral peak width method.

XRD measurement of mean crystallite thickness of illite and illite/smectite: Reappraisal of the Kubler index and the Scherrer equation

USGS Publications Warehouse

Drits, Victor A.; Środoń, Jan; Eberl, D.D.

1997-01-01

The standard form of the Scherrer equation, which has been used to calculate the mean thickness of the coherent scattering domain (CSD) of illite crystals from X-ray diffraction (XRD) full width data at half maximum (FWHM) intensity, employs a constant, Ksh, of 0.89. Use of this constant is unjustified, even if swelling has no effect on peak broadening, because this constant is valid only if all CSDs have a single thickness. For different thickness distributions, the Scherrer “constant” has very different values.Analysis of fundamental particle thickness data (transmission electron microscopy, TEM) for samples of authigenic illite and illite/smectite from diagenetically altered pyroclastics and filamentous illites from sandstones reveals a unique family of lognormal thickness distributions for these clays. Experimental relations between the distributions' lognormal parameters and mean thicknesses are established. These relations then are used to calculate the mean thickness of CSDs for illitic samples from XRD FWHM, or from integral XRD peak widths (integrated intensity/maximum intensity).For mixed-layer illite/smectite, the measured thickness of the CSD corresponds to the mean thickness of the mixed-layer crystal. Using this measurement, the mean thickness of the fundamental particles that compose the mixed-layer crystals can be calculated after XRD determination of percent smectitic interlayers. The effect of mixed layering (swelling) on XRD peak width for these samples is eliminated by using the 003 reflection for glycolated samples, and the 001, 002 or 003 reflection for dehydrated, K-saturated samples. If this technique is applied to the 001 reflection of air-dried samples (Kubler index measurement), mean CSD thicknesses are underestimated due to the mixed-layering effect.The technique was calibrated using NEW MOD©-simulated XRD profiles of illite, and then tested on well-characterized illite and illite/smectite samples. The XRD measurements are in good

Modeling and measurements of XRD spectra of extended solids under high pressure

NASA Astrophysics Data System (ADS)

Batyrev, I. G.; Coleman, S. P.; Stavrou, E.; Zaug, J. M.; Ciezak-Jenkins, J. A.

2017-06-01

We present results of evolutionary simulations based on density functional calculations of various extended solids: N-Si and N-H using variable and fixed concentration methods of USPEX. Predicted from the evolutionary simulations structures were analyzed in terms of thermo-dynamical stability and agreement with experimental X-ray diffraction spectra. Stability of the predicted system was estimated from convex-hull plots. X-ray diffraction spectra were calculated using a virtual diffraction algorithm which computes kinematic diffraction intensity in three-dimensional reciprocal space before being reduced to a two-theta line profile. Calculations of thousands of XRD spectra were used to search for a structure of extended solids at certain pressures with best fits to experimental data according to experimental XRD peak position, peak intensity and theoretically calculated enthalpy. Comparison of Raman and IR spectra calculated for best fitted structures with available experimental data shows reasonable agreement for certain vibration modes. Part of this work was performed by LLNL, Contract DE-AC52-07NA27344. We thank the Joint DoD / DOE Munitions Technology Development Program, the HE C-II research program at LLNL and Advanced Light Source, supported by BES DOE, Contract No. DE-AC02-05CH112.

Correlations of Apparent Cellulose Crystallinity Determined by XRD, NMR, IR, Raman, and SFG Methods

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

Johnson, David K; Lee, Christopher; Dazen, Kevin

2015-07-04

Although the cellulose crystallinity index (CI) is used widely, its limitations have not been adequately described. In this study, the CI values of a set of reference samples were determined from X-ray diffraction (XRD), nuclear magnetic resonance (NMR), and infrared (IR), Raman, and vibrational sum frequency generation (SFG) spectroscopies. The intensities of certain crystalline peaks in IR, Raman, and SFG spectra positively correlated with the amount of crystalline cellulose in the sample, but the correlation with XRD was nonlinear as a result of fundamental differences in detection sensitivity to crystalline cellulose and improper baseline corrections for amorphous contributions. It ismore » demonstrated that the intensity and shape of the XRD signal is affected by both the amount of crystalline cellulose and crystal size, which makes XRD analysis complicated. It is clear that the methods investigated show the same qualitative trends for samples, but the absolute CI values differ depending on the determination method. This clearly indicates that the CI, as estimated by different methods, is not an absolute value and that for a given set of samples the CI values can be compared only as a qualitative measure.« less

Correlations of Apparent Cellulose Crystallinity Determined by XRD, NMR, IR, Raman, and SFG Methods

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

Lee, Christopher M; Dazen, Kevin; Kafle, Kabindra

2015-01-01

Although the cellulose crystallinity index (CI) is used widely, its limitations have not been adequately described. In this study, the CI values of a set of reference samples were determined from X-ray diffraction (XRD), nuclear magnetic resonance (NMR), and infrared (IR), Raman, and vibrational sum frequency generation (SFG) spectroscopies. The intensities of certain crystalline peaks in IR, Raman, and SFG spectra positively correlated with the amount of crystalline cellulose in the sample, but the correlation with XRD was nonlinear as a result of fundamental differences in detection sensitivity to crystalline cellulose and improper baseline corrections for amorphous contributions. It ismore » demonstrated that the intensity and shape of the XRD signal is affected by both the amount of crystalline cellulose and crystal size, which makes XRD analysis complicated. It is clear that the methods investigated show the same qualitative trends for samples, but the absolute CI values differ depending on the determination method. This clearly indicates that the CI, as estimated by different methods, is not an absolute value and that for a given set of samples the CI values can be compared only as a qualitative measure.« less

The inconsistency in adsorption properties and powder XRD data of MOF-5 is rationalized by framework interpenetration and the presence of organic and inorganic species in the nanocavities.

PubMed

Hafizovic, Jasmina; Bjørgen, Morten; Olsbye, Unni; Dietzel, Pascal D C; Bordiga, Silvia; Prestipino, Carmelo; Lamberti, Carlo; Lillerud, Karl Petter

2007-03-28

MOF-5 is the archetype metal-organic framework and has been subjected to numerous studies the past few years. The focal point of this report is the pitfalls related to the MOF-5 phase identification based on powder XRD data. A broad set of conditions and procedures have been reported for MOF-5 synthesis. These variations have led to materials with substantially different adsorption properties (specific surface areas in the range 700 to 3400 m(2)/g). The relatively low weight loss observed for some as synthesized samples upon solvent removal is also indicative of a low pore volume. Regrettably, these materials have all been described as MOF-5 without any further comments. Furthermore, the reported powder XRD patterns hint at structural differences: The variations in surface area are accompanied by peak splitting phenomena and rather pronounced changes in the relative peak intensities in the powder XRD patterns. In this work, we use single-crystal XRD to investigate structural differences between low and high surface area MOF-5. The low surface area MOF-5 sample had two different classes of crystals. For the dominant phase, Zn(OH)2 species partly occupied the cavities. The presence of Zn species makes the hosting cavity and possibly also adjacent cavities inaccessible and thus efficiently reduces the pore volume of the material. Furthermore, the minor phase consisted of doubly interpenetrated MOF-5 networks, which lowers the adsorption capacity. The presence of Zn species and lattice interpenetration changes the symmetry from cubic to trigonal and explains the peak splitting observed in the powder XRD patterns. Pore-filling effects from the Zn species (and partly the solvent molecules) are also responsible for the pronounced variations in powder XRD peak intensities. This latter conclusion is particularly useful for predicting the adsorption properties of a MOF-5-type material from powder XRD.

Structural investigations in helium charged titanium films using grazing incidence XRD and EXAFS spectroscopy

NASA Astrophysics Data System (ADS)

Wan, Chubin; Zhou, Xiaosong; Wang, Yuting; Li, Shina; Ju, Xin; Peng, Shuming

2014-01-01

The crystal structure and local atomic arrangements surrounding Ti atoms were determined for He-charged hexagonal close-packed (hcp) Ti films and measured at glancing angles by synchrotron radiation X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) spectroscopy, respectively. The charged specimens were prepared by direct current magnetron sputtering with a He/Ar mixture. He atoms with a relatively medium concentration (He/Ti atomic ratio as high as 17 at.%) were incorporated evenly in the deposited films. XRD results showed the changes in the peak intensities in Ti films with different He contents. EXAFS Fourier Transform analysis indicated that the average Ti-Ti distance decreased significantly, and proved the existence of phase transition.

Crystal Identification in Dual-Layer-Offset DOI-PET Detectors Using Stratified Peak Tracking Based on SVD and Mean-Shift Algorithm

NASA Astrophysics Data System (ADS)

Wei, Qingyang; Dai, Tiantian; Ma, Tianyu; Liu, Yaqiang; Gu, Yu

2016-10-01

An Anger-logic based pixelated PET detector block requires a crystal position map (CPM) to assign the position of each detected event to a most probable crystal index. Accurate assignments are crucial to PET imaging performance. In this paper, we present a novel automatic approach to generate the CPMs for dual-layer offset (DLO) PET detectors using a stratified peak tracking method. In which, the top and bottom layers are distinguished by their intensity difference and the peaks of the top and bottom layers are tracked based on a singular value decomposition (SVD) and mean-shift algorithm in succession. The CPM is created by classifying each pixel to its nearest peak and assigning the pixel with the crystal index of that peak. A Matlab-based graphical user interface program was developed including the automatic algorithm and a manual interaction procedure. The algorithm was tested for three DLO PET detector blocks. Results show that the proposed method exhibits good performance as well as robustness for all the three blocks. Compared to the existing methods, our approach can directly distinguish the layer and crystal indices using the information of intensity and offset grid pattern.

Thickness-dependent blue shift in the excitonic peak of conformally grown ZnO:Al on ion-beam fabricated self-organized Si ripples

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

Basu, T.; Kumar, M.; Som, T., E-mail: tsom@iopb.res.in

2015-09-14

Al-doped ZnO (AZO) thin films of thicknesses 5,10, 15, 20, and 30 nm were deposited on 500 eV argon ion-beam fabricated nanoscale self-organized rippled-Si substrates at room temperature and are compared with similar films deposited on pristine-Si substrates (without ripples). It is observed that morphology of self-organized AZO films is driven by the underlying substrate morphology. For instance, for pristine-Si substrates, a granular morphology evolves for all AZO films. On the other hand, for rippled-Si substrates, morphologies having chain-like arrangement (anisotropic in nature) are observed up to a thickness of 20 nm, while a granular morphology evolves (isotropic in nature) for 30 nm-thick film.more » Photoluminescence studies reveal that excitonic peaks corresponding to 5–15 nm-thick AZO films, grown on rippled-Si templates, show a blue shift of 8 nm and 3 nm, respectively, whereas the peak shift is negligible for 20-nm thick film (with respect to their pristine counter parts). The observed blue shifts are substantiated by diffuse reflectance study and attributed to quantum confinement effect, associated with the size of the AZO grains and their spatial arrangements driven by the anisotropic morphology of underlying rippled-Si templates. The present findings will be useful for making tunable AZO-based light-emitting devices.« less

Synchronizing flash-melting in a diamond cell with synchrotron X ray diffraction (XRD)

NASA Astrophysics Data System (ADS)

Karandikar, Amol; Boehler, Reinhard; Meng, Yue; Rod, Eric; Shen, Guoyin

2013-06-01

The major challenges in measuring melting temperatures in laser heated diamond cells are sample instability, thermal runaway and chemical reactions. To circumvent these problems, we developed a ``flash heating'' method using a modulated CW fiber laser and fast X ray detection capability at APS (Pilatus 1M detector). As an example, Pt spheres of 5 micron diameter were loaded in a single crystal sapphire encapsulation in the diamond cell at 65 GPa and heated in a single flash heating event for 20 ms to reach a desired temperature. A CCD spectrometer and the Pilatus were synchronized to measure the temperature and the XRD signal, respectively, when the sample reached the thermal steady state. Each successive flash heating was done at a higher temperature. The integrated XRD pattern, collected during and after (300 K) each heating, showed no chemical reaction up to 3639 K, the highest temperature reached in the experiment. Pt111 and 200 peak intensity variation showed gradual recrystalization and complete diminishing at about 3600 K, indicating melting. Thus, synchronized flash heating with novel sample encapsulation circumvents previous notorious problems and enables accurate melting temperature measurement in the diamond cell using synchrotron XRD probe. Affiliation 2: Geowissenschaeften, Goethe-Universitaet, Altenhoeferallee 1, D-60438 Frankfurt a.M., Germany.

X-ray peak profile analysis of zinc oxide nanoparticles formed by simple precipitation method

NASA Astrophysics Data System (ADS)

Pelicano, Christian Mark; Rapadas, Nick Joaquin; Magdaluyo, Eduardo

2017-12-01

Zinc oxide (ZnO) nanoparticles were successfully synthesized by a simple precipitation method using zinc acetate and tetramethylammonium hydroxide. The synthesized ZnO nanoparticles were characterized by X-ray Diffraction analysis (XRD) and Transmission Electron Microscopy (TEM). The XRD result revealed a hexagonal wurtzite structure for the ZnO nanoparticles. The TEM image showed spherical nanoparticles with an average crystallite size of 6.70 nm. For x-ray peak analysis, Williamson-Hall (W-H) and Size-Strain Plot (SSP) methods were applied to examine the effects of crystallite size and lattice strain on the peak broadening of the ZnO nanoparticles. Based on the calculations, the estimated crystallite sizes and lattice strains obtained are in good agreement with each other.

Reward Value Effects on Timing in the Peak Procedure

ERIC Educational Resources Information Center

Galtress, Tiffany; Kirkpatrick, Kimberly

2009-01-01

Three experiments examined the effect of motivational variables on timing in the peak procedure. In Experiment 1, rats received a 60-s peak procedure that was coupled with long-term, between-phase changes in reinforcer magnitude. Increases in reinforcer magnitude produced a leftward shift in the peak that persisted for 20 sessions of training. In…

XRD and 29Si MAS-NMR spectroscopy across the β-Lu 2Si 2O 7- β-Y 2Si 2O 7 solid solution

NASA Astrophysics Data System (ADS)

Becerro, Ana I.; Escudero, Alberto

2005-01-01

Samples in the system Lu 2-xY xSi 2O 7 (0⩽ x⩽2) have been synthesized following the sol-gel method and calcined to 1300 °C, a temperature at which the β-polymorph is known to be the stable phase for the end-members Lu 2Si 2O 7 and Y 2Si 2O 7. The XRD patterns of all the compositions studied are compatible with the structure of the β-polymorph. Unit cell parameters are calculated as a function of composition from XRD patterns. They show a linear change with increasing Y content, which indicates a solid solubility of β-Y 2Si 2O 7 in β-Lu 2Si 2O 7 at 1300 °C. 29Si MAS NMR spectra of the different members of the system agree with the XRD results, showing a linear decrease of the 29Si chemical shift with increasing Y content. Finally, a correlation reported in the literature to predict 29Si chemical shifts in silicates is applied here to obtain the theoretical variation in 29Si chemical shift values in the system Lu 2Si 2O 7-Y 2Si 2O 7 and the results compare favorably with the values obtained experimentally.

Crystal imperfection studies of pure and silicon substituted hydroxyapatite using Raman and XRD.

PubMed

Zou, Shuo; Huang, Jie; Best, Serena; Bonfield, William

2005-12-01

Hydroxyapatite (HA) is important in biomedical applications because of its chemical similarity to the mineral content of bone and its consequent bioactivity. Silicon substitution into the hydroxyapatite crystal lattice was found to enhance its bioactivity both in vitro and in vivo [1, 2]. However, the mechanism for the enhancement is still not well understood. In this paper, the crystal imperfections introduced by silicon substitution were studied using XRD and Raman spectroscopy. It was found that silicon substitution did not introduce microstrain, but deceased the crystal size in the hk0 direction. Three new vibration modes and peak broadening were observed in Raman spectra following silicon incorporation. The imperfections introduced by silicon substitution may play a role in enhancing bioactivity. A phenomenological relationship between the width of the PO4 v1 peak and crystal size was established.

Identification of a deleterious phase in photocatalyst based on Cd1 - xZnxS/Zn(OH)2 by simulated XRD patterns.

PubMed

Cherepanova, Svetlana; Markovskaya, Dina; Kozlova, Ekaterina

2017-06-01

The X-ray diffraction (XRD) pattern of a deleterious phase in the photocatalyst based on Cd 1 - x Zn x S/Zn(OH) 2 contains two relatively intense asymmetric peaks with d-spacings of 2.72 and 1.56 Å. Very small diffraction peaks with interplanar distances of (d) ≃ 8.01, 5.40, 4.09, 3.15, 2.49 and 1.35 Å are characteristic of this phase but not always observed. To identify this phase, the XRD patterns for sheet-like hydroxide β-Zn(OH) 2 and sheet-like hydrozincite Zn 5 (CO 3 ) 2 (OH) 6 as well as for turbostratic hydrozincite were simulated. It is shown that the XRD pattern calculated on the basis of the last model gives the best correspondence with experimental data. Distances between layers in the turbostratically disordered hydrozincite fluctuate around d ≃ 8.01 Å. This average layer-to-layer distance is significantly higher than the interlayer distance 6.77 Å in the ordered Zn 5 (CO 3 ) 2 (OH) 6 probably due to a deficiency of CO 3 2- anions, excess OH - and the presence of water molecules in the interlayers. It is shown by variable-temperature XRD and thermogravimetric analysis (TGA) that the nanocrystalline turbostratic nonstoichiometric hydrozincite-like phase is quite thermostable. It decomposes into ZnO in air above 473 K.

Curvature of the localized surface plasmon resonance peak.

PubMed

Chen, Peng; Liedberg, Bo

2014-08-05

Localized surface plasmon resonance (LSPR) occurring in noble metal nanoparticles (e.g., Au) is a widely used phenomenon to report molecular interactions. Traditional LSPR sensors typically monitor shifts in the peak position or extinction in response to local refractive index changes in the close vicinity of the nanoparticle surface. The ability to resolve minute shifts/extinction changes is to a large extent limited by instrumental noise. A new strategy to evaluate LSPR responses utilizing changes in the shape of the extinction spectrum (the curvature) is proposed. The response of curvature to refractive index changes is investigated theoretically using Mie theory and an analytical expression relating the curvature to the refractive index is presented. The experimentally derived curvatures for 13 nm spherical gold nanoparticles (AuNPs) exposed to solvents with different bulk refractive indices confirm the theoretical predictions. Moreover, both the calculated and experimental findings suggest that the curvature is approximately a linear function of refractive index in regimes relevant to bio and chemical sensing. We demonstrate that curvature is superior over peak shift and extinction both in terms of signal-to-noise (S/N) ratio and reliability of LSPR sensors. With a curvature, one could readily monitor submonolayer adsorption of a low molecular weight thiol molecule (M(w) = 458.6) onto 13 nm AuNPs. It is also worthwhile mentioning that curvature is virtually insensitive to instrumental instabilities and artifacts occurring during measurement. Instabilities such as baseline tilt and shift, shift in peak position as well as sharp spikes/steps in the extinction spectra do not induce artifacts in the sensorgrams of curvature.

PolyaPeak: Detecting Transcription Factor Binding Sites from ChIP-seq Using Peak Shape Information

PubMed Central

Wu, Hao; Ji, Hongkai

2014-01-01

ChIP-seq is a powerful technology for detecting genomic regions where a protein of interest interacts with DNA. ChIP-seq data for mapping transcription factor binding sites (TFBSs) have a characteristic pattern: around each binding site, sequence reads aligned to the forward and reverse strands of the reference genome form two separate peaks shifted away from each other, and the true binding site is located in between these two peaks. While it has been shown previously that the accuracy and resolution of binding site detection can be improved by modeling the pattern, efficient methods are unavailable to fully utilize that information in TFBS detection procedure. We present PolyaPeak, a new method to improve TFBS detection by incorporating the peak shape information. PolyaPeak describes peak shapes using a flexible Pólya model. The shapes are automatically learnt from the data using Minorization-Maximization (MM) algorithm, then integrated with the read count information via a hierarchical model to distinguish true binding sites from background noises. Extensive real data analyses show that PolyaPeak is capable of robustly improving TFBS detection compared with existing methods. An R package is freely available. PMID:24608116

XRD, SEM and infrared study into the intercalation of sodium hexadecyl sulfate (SHS) into hydrocalumite.

PubMed

Zhang, Ping; Wang, Tianqi; Zhang, Longlong; Wu, Daishe; Frost, Ray L

2015-12-05

Hydrocalumite (CaAl-LDH-Cl) interacted with a natural anionic surfactant, sodium hexadecyl sulfate (SHS), was performed using an intercalation method. To understand the intercalation behavior and characterize the resulting products, powder X-ray diffraction (XRD), scan electron microscopy (SEM) and mid-infrared (MIR) spectroscopy combined with near-infrared (NIR) spectroscopy technique were used. The XRD analysis indicated that SHS was intercalated into CaAl-LDH-Cl successfully, resulting in an expansion of the interlayer (from 0.78 nm to 2.74 nm). The bands of C-H stretching vibrations of SHS were observed in the near-infrared spectra, which indicated that the resulting products were indeed CaAl-LDH-SHS. In addition, the bands of water stretching vibrations and OH groups shifted to higher wavenumbers when SHS was intercalated into CaAl-LDH-Cl interlayer space. Copyright © 2015 Elsevier B.V. All rights reserved.

XRD and mineralogical analysis of gypsum dunes at White Sands National Monument, New Mexico and applications to gypsum detection on Mars

NASA Astrophysics Data System (ADS)

Lafuente, B.; Bishop, J. L.; Fenton, L. K.; King, S. J.; Blake, D.; Sarrazin, P.; Downs, R.; Horgan, B. H.

2013-12-01

A field portable X-ray Diffraction (XRD) instrument was used at White Sands National Monument to perform in-situ measurements followed by laboratory analyses of the gypsum-rich dunes and to determine its modal mineralogy. The field instrument is a Terra XRD (Olympus NDT) based on the technology of the CheMin (Chemistry and Mineralogy) instrument onboard the Mars Science Laboratory (MSL) rover Curiosity which is providing the mineralogical and chemical composition of scooped soil samples and drilled rock powders collected at Gale Crater [1]. Using Terra at White Sands will contribute to 'ground truth' for gypsum-bearing environments on Mars. Together with data provided by VNIR spectra [2], this study clarifies our understanding of the origin and history of gypsum-rich sand dunes discovered near the northern polar region of Mars [3]. The results obtained from the field analyses performed by XRD and VNIR spectroscopy in four dunes at White Sands revealed the presence of quartz and dolomite. Their relative abundance has been estimated using the Reference Intensity Ratio (RIR) method. For this study, particulate samples of pure natural gypsum, quartz and dolomite were used to prepare calibration mixtures of gypsum-quartz and gypsum-dolomite with the 90-150μm size fractions. All single phases and mixtures were analyzed by XRD and RIR factors were calculated. Using this method, the relative abundance of quartz and dolomite has been estimated from the data collected in the field. Quartz appears to be present in low amounts (2-5 wt.%) while dolomite is present at percentages up to 80 wt.%. Samples from four dunes were collected and prepared for subsequent XRD analysis in the lab to estimate their composition and illustrate the changes in mineralogy with respect to location and grain size. Gypsum-dolomite mixtures: The dolomite XRD pattern is dominated by an intense diffraction peak at 2θ≈36 deg. which overlaps a peak of gypsum, This makes low concentrations of dolomite

Towards peak pricing in metropolitan areas : modeling network and activity impacts.

DOT National Transportation Integrated Search

2011-06-01

Peak-load pricing has long been seen as a way to internalize externalities and, at the same time, as a set of incentives to shift some peak-hour trips to off-peak periods. The policy has also been viewed as a mechanism to generate revenues. But it is...

Real-Time XRD Studies of Li-O2 Electrochemical Reaction in Nonaqueous Lithium-Oxygen Battery.

PubMed

Lim, Hyunseob; Yilmaz, Eda; Byon, Hye Ryung

2012-11-01

Understanding of electrochemical process in rechargeable Li-O2 battery has suffered from lack of proper analytical tool, especially related to the identification of chemical species and number of electrons involved in the discharge/recharge process. Here we present a simple and straightforward analytical method for simultaneously attaining chemical and quantified information of Li2O2 (discharge product) and byproducts using in situ XRD measurement. By real-time monitoring of solid-state Li2O2 peak area, the accurate efficiency of Li2O2 formation and the number of electrons can be evaluated during full discharge. Furthermore, by observation of sequential area change of Li2O2 peak during recharge, we found nonlinearity of Li2O2 decomposition rate for the first time in ether-based electrolyte.

Real-time bilinear rotation decoupling in absorptive mode J-spectroscopy: Detecting low-intensity metabolite peak close to high-intensity metabolite peak with convenience

NASA Astrophysics Data System (ADS)

Verma, Ajay; Baishya, Bikash

2016-05-01

;Pure shift; NMR spectra display singlet peak per chemical site. Thus, high resolution is offered at the cost of valuable J-coupling information. In the present work, real-time BIRD (BIlinear Rotation Decoupling) is applied to the absorptive-mode 2D J-spectroscopy to provide pure shift spectrum in the direct dimension and J-coupling information in the indirect dimension. Quite often in metabolomics, proton NMR spectra from complex bio-fluids display tremendous signal overlap. Although conventional J-spectroscopy in principle overcomes this problem by separating the multiplet information from chemical shift information, however, only magnitude mode of the experiment is practical, sacrificing much of the potential high resolution that could be achieved. Few J-spectroscopy methods have been reported so far that produce high-resolution pure shift spectrum along with J-coupling information for crowded spectral regions. In the present work, high-quality J-resolved spectrum from important metabolomic mixture such as tissue extract from rat cortex is demonstrated. Many low-intensity metabolite peaks which are obscured by the broad dispersive tails from high-intensity metabolite peaks in regular magnitude mode J-spectrum can be clearly identified in real-time BIRD J-resolved spectrum. The general practice of removing such spectral overlap is tedious and time-consuming as it involves repeated sample preparation to change the pH of the tissue extract sample and subsequent spectra recording.

An exploratory method to detect tephras from quantitative XRD scans: Examples from Iceland and east Greenland marine sediments

USGS Publications Warehouse

Andrews, John T.; Eberl, D.D.; Kristjansdottir, G.B.

2006-01-01

Tephras, mainly from Iceland, are becoming increasingly important in interpreting leads and lags in the Holocene climate system across NW Europe. Here we demonstrate that Quantitative Phase Analysis of x-ray diffractograms of the 150 um fraction and identify these same peaks in XRD scans - two of these correlate geochemically and chronologically with Hekla 1104 and 3. At a distal site to the WNW of Iceland, on the East Greenland margin (core MD99-2317), the weight% of volcanic glass reaches values of 11% at about the time of the Saksunarvatn tephra. The XRD method identifies the presence of volcanic glass but not its elemental composition; hence it will assist in focusing attention on specific sections of sediment cores for subsequent geochemical fingerprinting of tephras. ?? 2006 SAGE Publications.

Varied absorption peaks of dual-band metamaterial absorber analysis by using reflection theory

NASA Astrophysics Data System (ADS)

Xiong, Han; Yu, Yan-Tao; Tang, Ming-Chun; Chen, Shi-Yong; Liu, Dan-Ping; Ou, Xiang; Zeng, Hao

2016-03-01

Cross-resonator metamaterial absorbers (MMA) have been widely investigated from microwave to optical frequencies. However, only part of the factors influencing the absorption properties were analyzed in previous works at the same time. In order to completely understand how the spacer thickness, dielectric parameter and incidence angle affect the absorption properties of the dual-band MMA, two sets of simulation were performed. It was found that with increasing incident angles, the low-frequency absorption peak showed a blue shift, while the high-frequency absorption peaks showed a red shift. However, with the increase in spacer thickness, both of the absorption peaks showed a red shift. By using the reflection theory expressions, the physical mechanism of the cross-resonator MMA was well explained. This method provides an effective way to analyze multi-band absorber in technology.

Phenological shifts conserve thermal niches in North American birds and reshape expectations for climate-driven range shifts.

PubMed

Socolar, Jacob B; Epanchin, Peter N; Beissinger, Steven R; Tingley, Morgan W

2017-12-05

Species respond to climate change in two dominant ways: range shifts in latitude or elevation and phenological shifts of life-history events. Range shifts are widely viewed as the principal mechanism for thermal niche tracking, and phenological shifts in birds and other consumers are widely understood as the principal mechanism for tracking temporal peaks in biotic resources. However, phenological and range shifts each present simultaneous opportunities for temperature and resource tracking, although the possible role for phenological shifts in thermal niche tracking has been widely overlooked. Using a canonical dataset of Californian bird surveys and a detectability-based approach for quantifying phenological signal, we show that Californian bird communities advanced their breeding phenology by 5-12 d over the last century. This phenological shift might track shifting resource peaks, but it also reduces average temperatures during nesting by over 1 °C, approximately the same magnitude that average temperatures have warmed over the same period. We further show that early-summer temperature anomalies are correlated with nest success in a continental-scale database of bird nests, suggesting avian thermal niches might be broadly limited by temperatures during nesting. These findings outline an adaptation surface where geographic range and breeding phenology respond jointly to constraints imposed by temperature and resource phenology. By stabilizing temperatures during nesting, phenological shifts might mitigate the need for range shifts. Global change ecology will benefit from further exploring phenological adjustment as a potential mechanism for thermal niche tracking and vice versa.

Real-time bilinear rotation decoupling in absorptive mode J-spectroscopy: Detecting low-intensity metabolite peak close to high-intensity metabolite peak with convenience.

PubMed

Verma, Ajay; Baishya, Bikash

2016-05-01

"Pure shift" NMR spectra display singlet peak per chemical site. Thus, high resolution is offered at the cost of valuable J-coupling information. In the present work, real-time BIRD (BIlinear Rotation Decoupling) is applied to the absorptive-mode 2D J-spectroscopy to provide pure shift spectrum in the direct dimension and J-coupling information in the indirect dimension. Quite often in metabolomics, proton NMR spectra from complex bio-fluids display tremendous signal overlap. Although conventional J-spectroscopy in principle overcomes this problem by separating the multiplet information from chemical shift information, however, only magnitude mode of the experiment is practical, sacrificing much of the potential high resolution that could be achieved. Few J-spectroscopy methods have been reported so far that produce high-resolution pure shift spectrum along with J-coupling information for crowded spectral regions. In the present work, high-quality J-resolved spectrum from important metabolomic mixture such as tissue extract from rat cortex is demonstrated. Many low-intensity metabolite peaks which are obscured by the broad dispersive tails from high-intensity metabolite peaks in regular magnitude mode J-spectrum can be clearly identified in real-time BIRD J-resolved spectrum. The general practice of removing such spectral overlap is tedious and time-consuming as it involves repeated sample preparation to change the pH of the tissue extract sample and subsequent spectra recording. Copyright © 2016 Elsevier Inc. All rights reserved.

A method for modelling peak signal statistics on a mobile satellite transponder

NASA Technical Reports Server (NTRS)

Bilodeau, Andre; Lecours, Michel; Pelletier, Marcel; Delisle, Gilles Y.

1990-01-01

A simulation method is proposed. The simulation was developed to model the peak duration and energy content of signal peaks in a mobile communication satellite operating in a Frequency Division Multiple Access (FDMA) mode and presents an estimate of those power peaks for a system where the channels are modeled as band limited Gaussian noise, which is taken as a reasonable representation for Amplitude Commanded Single Sideband (ACSSB), Minimum Shift Keying (MSK), or Phase Shift Keying (PSK) modulated signals. The simulation results show that, under this hypothesis, the level of the signal power peaks for 10 percent, 1 percent, and 0.1 percent of the time are well described by a Rayleigh law and that their duration is extremely short and inversely proportional to the total FDM system bandwidth.

THE EFFECT OF SATELLITE LINES FROM THE X-RAY SOURCE ON X-RAY DIFFRACTION PEAKS

EPA Science Inventory

The article discusses the development of a method for relating reactivity to crystallite size and strain parameters obtained by the Warren-Averbach technique. EPA has been using crystallite size and strain data obtained from x-ray diffraction (XRD) peak profile analysis to predic...

Difference in peak weight transfer and timing based on golf handicap.

PubMed

Queen, Robin M; Butler, Robert J; Dai, Boyi; Barnes, C Lowry

2013-09-01

Weight shift during the golf swing has been a topic of discussion among golf professionals; however, it is still unclear how weight shift varies in golfers of different performance levels. The main purpose of this study was to examine the following: (a) the changes in the peak ground reaction forces (GRF) and the timing of these events between high (HHCP) and low handicap (LHCP) golfers and (b) the differences between the leading and trailing legs. Twenty-eight male golfers were recruited and divided based on having an LHCP < 9 or HHCP > 9. Three-dimensional GRF peaks and the timing of the peaks were recorded bilaterally during a golf swing. The golf swing was divided into different phases: (a) address to the top of the backswing, (b) top of the backswing to ball contact, and (c) ball contact to the end of follow through. Repeated measures analyses of variance (α = 0.05) were completed for each study variable: the magnitude and the timing of peak vertical GRF, peak lateral GRF, and peak medial GRF (α = 0.05). The LHCP group had a greater transfer of vertical force from the trailing foot to the leading foot in phase 2 than the HHCP group. The LHCP group also demonstrated earlier timing of peak vertical force throughout the golf swing than the HHCP group. The LHCP and HHCP groups demonstrated different magnitudes of peak lateral force. The LHCP group had an earlier timing of peak lateral GRF in phase 2 and earlier timing of peak medial GRF in phases 1 and 2 than the HHCP group. In general, LHCP golfers demonstrated greater and earlier force generation than HHCP golfers. It may be relevant to consider both the magnitude of the forces and the timing of these events during golf-specific training to improve performance. These data reveal weight shifting differences that can be addressed by teaching professionals to help their students better understand weight transfer during the golf swing to optimize performance.

Multivariate analysis of DSC-XRD simultaneous measurement data: a study of multistage crystalline structure changes in a linear poly(ethylene imine) thin film.

PubMed

Kakuda, Hiroyuki; Okada, Tetsuo; Otsuka, Makoto; Katsumoto, Yukiteru; Hasegawa, Takeshi

2009-01-01

A multivariate analytical technique has been applied to the analysis of simultaneous measurement data from differential scanning calorimetry (DSC) and X-ray diffraction (XRD) in order to study thermal changes in crystalline structure of a linear poly(ethylene imine) (LPEI) film. A large number of XRD patterns generated from the simultaneous measurements were subjected to an augmented alternative least-squares (ALS) regression analysis, and the XRD patterns were readily decomposed into chemically independent XRD patterns and their thermal profiles were also obtained at the same time. The decomposed XRD patterns and the profiles were useful in discussing the minute peaks in the DSC. The analytical results revealed the following changes of polymorphisms in detail: An LPEI film prepared by casting an aqueous solution was composed of sesquihydrate and hemihydrate crystals. The sesquihydrate one was lost at an early stage of heating, and the film changed into an amorphous state. Once the sesquihydrate was lost by heating, it was not recovered even when it was cooled back to room temperature. When the sample was heated again, structural changes were found between the hemihydrate and the amorphous components. In this manner, the simultaneous DSC-XRD measurements combined with ALS analysis proved to be powerful for obtaining a better understanding of the thermally induced changes of the crystalline structure in a polymer film.

The effects of longitudinal chromatic aberration and a shift in the peak of the middle-wavelength sensitive cone fundamental on cone contrast

PubMed Central

Rucker, F. J.; Osorio, D.

2009-01-01

Longitudinal chromatic aberration is a well-known imperfection of visual optics, but the consequences in natural conditions, and for the evolution of receptor spectral sensitivities are less well understood. This paper examines how chromatic aberration affects image quality in the middle-wavelength sensitive (M-) cones, viewing broad-band spectra, over a range of spatial frequencies and focal planes. We also model the effects on M-cone contrast of moving the M-cone fundamental relative to the long- and middle-wavelength (L- and M-cone) fundamentals, while the eye is accommodated at different focal planes or at a focal plane that maximizes luminance contrast. When the focal plane shifts towards longer (650 nm) or shorter wavelengths (420 nm) the effects on M-cone contrast are large: longitudinal chromatic aberration causes total loss of M-cone contrast above 10 to 20 c/d. In comparison, the shift of the M-cone fundamental causes smaller effects on M-cone contrast. At 10 c/d a shift in the peak of the M-cone spectrum from 560 nm to 460 nm decreases M-cone contrast by 30%, while a 10 nm blue-shift causes only a minor loss of contrast. However, a noticeable loss of contrast may be seen if the eye is focused at focal planes other than that which maximizes luminance contrast. The presence of separate long- and middle-wavelength sensitive cones therefore has a small, but not insignificant cost to the retinal image via longitudinal chromatic aberration. This aberration may therefore be a factor limiting evolution of visual pigments and trichromatic color vision. PMID:18639571

Dynamics of Polymorphic Transformations in Palm Oil, Palm Stearin and Palm Kernel Oil Characterized by Coupled Powder XRD-DSC.

PubMed

Zaliha, Omar; Elina, Hishamuddin; Sivaruby, Kanagaratnam; Norizzah, Abd Rashid; Marangoni, Alejandro G

2018-06-01

The in situ polymorphic forms and thermal transitions of refined, bleached and deodorized palm oil (RBDPO), palm stearin (RBDPS) and palm kernel oil (RBDPKO) were investigated using coupled X-ray diffraction (XRD) and differential scanning calorimetry (DSC). Results indicated that the DSC onset crystallisation temperature of RBDPO was at 22.6°C, with a single reflection at 4.2Å started to appear from 23.4 to 17.1°C, and were followed by two prominent exothermic peaks at 20.1°C and 8.5°C respectively. Further cooling to -40°C leads to the further formation of a β'polymorph. Upon heating, a of β'→βtransformation was observed between 32.1 to 40.8°C, before the sample was completely melted at 43.0°C. The crystallization onset temperature of RBDPS was 44.1°C, with the appearance of the α polymorph at the same temperature as the appearance of the first sharp DSC exothermic peak. This quickly changed from α→β´ in the range 25 to 21.7°C, along with the formation of a small β peak at -40°C. Upon heating, a small XRD peak for the β polymorph was observed between 32.2 to 36.0°C, becoming a mixture of (β´+ β) between 44.0 to 52.5°C. Only the β polymorph survived further heating to 59.8°C. For RBDPKO, the crystallization onset temperature was 11.6°C, with the formation of a single sharp exothermic peak at 6.5°C corresponding to the β' polymorphic form until the temperature reached -40°C. No transformation of the polymorphic form was observed during the melting process of RBDPKO, before being completely melted at 33.2°C. This work has demonstrated the detailed dynamics of polymorphic transformations of PKO and PS, two commercially important hardstocks used widely by industry and will contribute to a greater understanding of their crystallization and melting dynamics.

Peak picking multidimensional NMR spectra with the contour geometry based algorithm CYPICK.

PubMed

Würz, Julia M; Güntert, Peter

2017-01-01

The automated identification of signals in multidimensional NMR spectra is a challenging task, complicated by signal overlap, noise, and spectral artifacts, for which no universally accepted method is available. Here, we present a new peak picking algorithm, CYPICK, that follows, as far as possible, the manual approach taken by a spectroscopist who analyzes peak patterns in contour plots of the spectrum, but is fully automated. Human visual inspection is replaced by the evaluation of geometric criteria applied to contour lines, such as local extremality, approximate circularity (after appropriate scaling of the spectrum axes), and convexity. The performance of CYPICK was evaluated for a variety of spectra from different proteins by systematic comparison with peak lists obtained by other, manual or automated, peak picking methods, as well as by analyzing the results of automated chemical shift assignment and structure calculation based on input peak lists from CYPICK. The results show that CYPICK yielded peak lists that compare in most cases favorably to those obtained by other automated peak pickers with respect to the criteria of finding a maximal number of real signals, a minimal number of artifact peaks, and maximal correctness of the chemical shift assignments and the three-dimensional structure obtained by fully automated assignment and structure calculation.

[Analysis of XRD spectral characteristics of soil clay mineral in two typical cultivated soils].

PubMed

Zhang, Zhi-Dan; Luo, Xiang-Li; Jiang, Hai-Chao; Li, Qiao; Shen, Cong-Ying; Liu, Hang; Zhou, Ya-Juan; Zhao, Lan-Po; Wang, Ji-Hong

2014-07-01

The present paper took black soil and chernozem, the typical cultivated soil in major grain producing area of Northeast, as the study object, and determinated the soil particle composition characteristics of two cultivated soils under the same climate and location. Then XRD was used to study the composition and difference of clay mineral in two kinds of soil and the evolutionary mechanism was explored. The results showed that the two kinds of soil particles were composed mainly of the sand, followed by clay and silt. When the particle accumulation rate reached 50%, the central particle size was in the 15-130 microm interval. Except for black soil profile of Shengli Xiang, the content of clay showed converse sequence to the central particle in two soils. Clay accumulated under upper layer (18.82%) in black soil profile while under caliche layer (17.41%) in chernozem profile. Clay content was the least in parent material horizon except in black profile of Quanyanling. Analysis of clay XRD atlas showed that the difference lied in not only the strength of diffraction peak, but also in the mineral composition. The main contents of black soil and chernozem were both 2 : 1 clay, the composition of black soil was smectite/illite mixed layer-illite-vermiculite and that of chernozem was S/I mixture-illite-montmorillonite, and both of them contained little kaolinite, chlorite, quartz and other primary mineral. This paper used XRD to determine the characteristics of clay minerals comprehensively, and analyzed two kinds of typical cultivated soil comparatively, and it was a new perspective of soil minerals study.

Mineralogy and provenance of clays in miarolitic cavities of the Pikes Peak Batholith, Colorado

USGS Publications Warehouse

Kile, D.E.

2005-01-01

Clay samples from 105 cavities within miarolitic granitic pegmatites throughout the Pikes Peak batholith, in Colorado, were analyzed by powder X-ray diffraction (XRD). Smectite (beidellite), illite, and kaolinite were found within the cavities. Calculation of crystallite-thickness distribution (CTD), mean thickness of the crystallites, and variance in crystallite thickness, as deduced from XRD patterns, allowed a determination of provenance and mode of formation for illite and smectite. Authigenic miarolitic-cavity illite and smectite show lognormal CTDs and larger mean thicknesses of crystallites than do their soil-derived counterparts; non-lognormal illite in a cavity results from mixing of cavity and soil illite. Analysis of mean thickness and thickness variance shows that crystal growth of illite is initiated by a nucleation event of short duration, followed by surface-controlled kinetics. Crystallization of the miarolitic cavity clays is presumed to occur by neoformation from hydrothermal fluids. The assessment of provenance allows a determination of regional and local distributions of clay minerals in miarolitic cavities within the Pikes Peak batholith.

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

NASA Astrophysics Data System (ADS)

Debehets, J.; Homm, P.; Menghini, M.; Chambers, S. A.; Marchiori, C.; Heyns, M.; Locquet, J. P.; Seo, J. W.

2018-05-01

In this paper, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate analyzer and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-levels. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-level pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH4)2S-solutions in an inert atmosphere (N2-gas). Although the (NH4)2S-cleaning in N2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH4)2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs.

Remote In-Situ Quantitative Mineralogical Analysis Using XRD/XRF

NASA Technical Reports Server (NTRS)

Blake, D. F.; Bish, D.; Vaniman, D.; Chipera, S.; Sarrazin, P.; Collins, S. A.; Elliott, S. T.

2001-01-01

X-Ray Diffraction (XRD) is the most direct and accurate method for determining mineralogy. The CHEMIN XRD/XRF instrument has shown promising results on a variety of mineral and rock samples. Additional information is contained in the original extended abstract.

Growth of Au nanoparticle films and the effect of nanoparticle shape on plasmon peak wavelength

NASA Astrophysics Data System (ADS)

Horikoshi, S.; Matsumoto, N.; Omata, Y.; Kato, T.

2014-05-01

Metal nanoparticles (NPs) exhibit localized surface plasmon resonance (LSPR) and thus have potential for use in a wide range of applications. A facile technique for the preparation of NP films using an electron-cyclotron-resonance plasma sputtering method without a dewetting process is described. Field emission scanning electron microscopy (FE-SEM) observations revealed that the Au NPs grew independently as island-like particles during the first stage of sputtering and then coalesced with one another as sputtering time increased to ultimately form a continuous film. A plasmon absorption peak was observed via optical measurement of absorption efficiency. The LSPR peak shifted toward longer wavelengths (red shift) with an increase in sputtering time. The cause of this plasmon peak shift was theoretically investigated using the finite-difference time-domain calculation method. A realistic statistical distribution of the particle shapes based on FE-SEM observations was applied for the analysis, which has not been previously reported. It was determined that the change in the shape of the NPs from spheroidal to oval or slender due to coalescence with neighbouring NPs caused the LSPR peak shift. These results may enable the design of LSPR devices by controlling the characteristics of the nanoparticles, such as their size, shape, number density, and coverage.

Thermoluminescence (TL) properties and x-ray diffraction (XRD) analysis of high purity CaSO4:Dy TL material

NASA Astrophysics Data System (ADS)

Kamarudin, Nadira; Abdullah, Wan Saffiey Wan; Hamid, Muhammad Azmi Abdul; Dollah, Mohd Taufik

2014-09-01

This paper presents the characterization and TL properties of dysprosium (Dy) doped calcium sulfate (CaSO4) TL material produced by co-precipitation technique with 0.5mol% concentration of dopant. The morphology of the produced TL material was studied using scanning electron microscope (SEM) and the micrograph shows that rectangular parallelepiped shaped crystal with the average of 150 μm in length were produced. The crystallinity of the produced powder was studied using x-ray powder diffraction (XRD). The XRD spectra show that the TL material produced is high purity anhydrite CaSO4 with average crystallite size of 74 nm with orthorhombic crystal system. The TL behavior of produced CaSO4:Dy was studied using a TLD reader after exposure to gamma ray by Co60 source with the doses of 1,5 and 10 Gy. The glow curve shows linear response with glow peak around 230°C which is desired development in the field of radiation dosimetry.

Powder-XRD and (14) N magic angle-spinning solid-state NMR spectroscopy of some metal nitrides.

PubMed

Kempgens, Pierre; Britton, Jonathan

2016-05-01

Some metal nitrides (TiN, ZrN, InN, GaN, Ca3 N2 , Mg3 N2 , and Ge3 N4 ) have been studied by powder X-ray diffraction (XRD) and (14) N magic angle-spinning (MAS) solid-state NMR spectroscopy. For Ca3 N2 , Mg3 N2 , and Ge3 N4 , no (14) N NMR signal was observed. Low speed (νr  = 2 kHz for TiN, ZrN, and GaN; νr  = 1 kHz for InN) and 'high speed' (νr  = 15 kHz for TiN; νr  = 5 kHz for ZrN; νr  = 10 kHz for InN and GaN) MAS NMR experiments were performed. For TiN, ZrN, InN, and GaN, powder-XRD was used to identify the phases present in each sample. The number of peaks observed for each sample in their (14) N MAS solid-state NMR spectrum matches perfectly well with the number of nitrogen-containing phases identified by powder-XRD. The (14) N MAS solid-state NMR spectra are symmetric and dominated by the quadrupolar interaction. The envelopes of the spinning sidebands manifold are Lorentzian, and it is concluded that there is a distribution of the quadrupolar coupling constants Qcc 's arising from structural defects in the compounds studied. Copyright © 2015 John Wiley & Sons, Ltd.

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

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

Debehets, J.; Homm, P.; Menghini, M.

In this study, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate analyzer and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-levels. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-levelmore » pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH 4) 2S-solutions in an inert atmosphere (N 2-gas). Although the (NH 4) 2S-cleaning in N 2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH 4) 2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs.« less

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

DOE PAGES

Debehets, J.; Homm, P.; Menghini, M.; ...

2018-01-12

In this study, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate analyzer and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-levels. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-levelmore » pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH 4) 2S-solutions in an inert atmosphere (N 2-gas). Although the (NH 4) 2S-cleaning in N 2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH 4) 2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs.« less

Structural properties of zirconia - in-situ high temperature XRD characterization

NASA Astrophysics Data System (ADS)

Kurpaska, Lukasz

2018-07-01

In this work, the effect of high temperature on structural properties of pure zirconium have been investigated. In-situ X-ray diffraction analysis of the oxide layer formed at temperature window 25-600 °C on pure zirconium were performed. Conducted experiment aimed at investigation of the zirconia phases developed on surface of the metallic substrate. Based on the conducted studies, possible stress state (during heating, continuous oxidation and cooling), cell parameters and HWHM factor were analyzed. A tetragonal and monoclinic phases peak shifts and intensities change were observed, suggesting that different phases react in different way upon temperature effect.

Peak water limits to freshwater withdrawal and use

PubMed Central

Gleick, Peter H.; Palaniappan, Meena

2010-01-01

Freshwater resources are fundamental for maintaining human health, agricultural production, economic activity as well as critical ecosystem functions. As populations and economies grow, new constraints on water resources are appearing, raising questions about limits to water availability. Such resource questions are not new. The specter of “peak oil”—a peaking and then decline in oil production—has long been predicted and debated. We present here a detailed assessment and definition of three concepts of “peak water”: peak renewable water, peak nonrenewable water, and peak ecological water. These concepts can help hydrologists, water managers, policy makers, and the public understand and manage different water systems more effectively and sustainably. Peak renewable water applies where flow constraints limit total water availability over time. Peak nonrenewable water is observable in groundwater systems where production rates substantially exceed natural recharge rates and where overpumping or contamination leads to a peak of production followed by a decline, similar to more traditional peak-oil curves. Peak “ecological” water is defined as the point beyond which the total costs of ecological disruptions and damages exceed the total value provided by human use of that water. Despite uncertainties in quantifying many of these costs and benefits in consistent ways, more and more watersheds appear to have already passed the point of peak water. Applying these concepts can help shift the way freshwater resources are managed toward more productive, equitable, efficient, and sustainable use. PMID:20498082

Peak distortion effects in analytical ion chromatography.

PubMed

Wahab, M Farooq; Anderson, Jordan K; Abdelrady, Mohamed; Lucy, Charles A

2014-01-07

The elution profile of chromatographic peaks provides fundamental understanding of the processes that occur in the mobile phase and the stationary phase. Major advances have been made in the column chemistry and suppressor technology in ion chromatography (IC) to handle a variety of sample matrices and ions. However, if the samples contain high concentrations of matrix ions, the overloaded peak elution profile is distorted. Consequently, the trace peaks shift their positions in the chromatogram in a manner that depends on the peak shape of the overloading analyte. In this work, the peak shapes in IC are examined from a fundamental perspective. Three commercial IC columns AS16, AS18, and AS23 were studied with borate, hydroxide and carbonate as suppressible eluents. Monovalent ions (chloride, bromide, and nitrate) are used as model analytes under analytical (0.1 mM) to overload conditions (10-500 mM). Both peak fronting and tailing are observed. On the basis of competitive Langmuir isotherms, if the eluent anion is more strongly retained than the analyte ion on an ion exchanger, the analyte peak is fronting. If the eluent is more weakly retained on the stationary phase, the analyte peak always tails under overload conditions regardless of the stationary phase capacity. If the charge of the analyte and eluent anions are different (e.g., Br(-) vs CO3(2-)), the analyte peak shapes depend on the eluent concentration in a more complex pattern. It was shown that there are interesting similarities with peak distortions due to strongly retained mobile phase components in other modes of liquid chromatography.

Role of Ga particulates on the structure and optical properties of Y3(Al,Ga)5O12:Tb thin films prepared by PLD

NASA Astrophysics Data System (ADS)

Yousif, A.; Duvenhage, M. M.; Ntwaeaborwa, O. M.; Swart, H. C.

2018-04-01

Y3(Al,Ga)5O12:Tb thin films (70 nm) have been prepared by pulsed laser deposition on a Si (100) substrate at the substrate temperature of 300 °C. The effect of annealing time on the structural, morphological and luminescence properties of Y3(Al,Ga)5O12:Tb thin films at 800 °C were studied. The crystal structure of the samples was studied by X- ray diffraction (XRD) and showed shifts in the peak positions to lower diffraction angles for the annealed film compared to the XRD peak positions of the commercial Y3(Al,Ga)5O12:Tb powder. A new excitation band different from the original Y3(Al,Ga)5O12:Tb powder was also observed for the annealed films. The shift in the XRD pattern and the new excitation band for the annealed film suggested that the films were enriched with Ga after annealing.

Thermal behavior of polyhalite: a high-temperature synchrotron XRD study

DOE PAGES

Xu, Hongwu; Guo, Xiaofeng; Bai, Jianming

2016-09-17

As an accessory mineral in marine evaporites, polyhalite, K 2MgCa 2(SO 4) 4·2H 2O, coexists with halite (NaCl) in salt formations, which have been considered as potential repositories for permanent storage of high-level nuclear wastes. However, because of the heat generated by radioactive decays in the wastes, polyhalite may dehydrate, and the released water will dissolve its neighboring salt, potentially affecting the repository integrity. Thus, studying the thermal behavior of polyhalite is important. In this paper, a polyhalite sample containing a small amount of halite was collected from the Salado formation at the WIPP site in Carlsbad, New Mexico. Tomore » determine its thermal behavior, in situ high-temperature synchrotron X-ray diffraction was conducted from room temperature to 1066 K with the sample powders sealed in a silica-glass capillary. At about 506 K, polyhalite started to decompose into water vapor, anhydrite (CaSO 4) and two langbeinite-type phases, K 2Ca x Mg 2-x (SO 4) 3, with different Ca/Mg ratios. XRD peaks of the minor halite disappeared, presumably due to its dissolution by water vapor. With further increasing temperature, the two langbeinite solid solution phases displayed complex variations in crystallinity, composition and their molar ratio and then were combined into the single-phase triple salt, K 2CaMg(SO 4) 3, at ~919 K. Rietveld analyses of the XRD data allowed determination of structural parameters of polyhalite and its decomposed anhydrite and langbeinite phases as a function of temperature. Finally, from the results, the thermal expansion coefficients of these phases have been derived, and the structural mechanisms of their thermal behavior been discussed.« less

Energy transfer in light-harvesting complexes LHCII and CP29 of spinach studied with three pulse echo peak shift and transient grating.

PubMed

Salverda, Jante M; Vengris, Mikas; Krueger, Brent P; Scholes, Gregory D; Czarnoleski, Adam R; Novoderezhkin, Vladimir; van Amerongen, Herbert; van Grondelle, Rienk

2003-01-01

Three pulse echo peak shift and transient grating (TG) measurements on the plant light-harvesting complexes LHCII and CP29 are reported. The LHCII complex is by far the most abundant light-harvesting complex in higher plants and fulfills several important physiological functions such as light-harvesting and photoprotection. Our study is focused on the light-harvesting function of LHCII and the very similar CP29 complex and reveals hitherto unresolved excitation energy transfer processes. All measurements were performed at room temperature using detergent isolated complexes from spinach leaves. Both complexes were excited in their Chl b band at 650 nm and in the blue shoulder of the Chl a band at 670 nm. Exponential fits to the TG and three pulse echo peak shift decay curves were used to estimate the timescales of the observed energy transfer processes. At 650 nm, the TG decay can be described with time constants of 130 fs and 2.2 ps for CP29, and 300 fs and 2.8 ps for LHCII. At 670 nm, the TG shows decay components of 230 fs and 6 ps for LHCII, and 300 fs and 5 ps for CP29. These time constants correspond to well-known energy transfer processes, from Chl b to Chl a for the 650 nm TG and from blue (670 nm) Chl a to red (680 nm) Chl a for the 670 nm TG. The peak shift decay times are entirely different. At 650 nm we find times of 150 fs and 0.5-1 ps for LHCII, and 360 fs and 3 ps for CP29, which we can associate mainly with Chl b <--> Chl b energy transfer. At 670 nm we find times of 140 fs and 3 ps for LHCII, and 3 ps for CP29, which we can associate with fast (only in LHCII) and slow transfer between relatively blue Chls a or Chl a states. From the occurrence of both fast Chl b <--> Chl b and fast Chl b --> Chl a transfer in CP29, we conclude that at least two mixed binding sites are present in this complex. A detailed comparison of our observed rates with exciton calculations on both CP29 and LHCII provides us with more insight in the location of these mixed sites

Synthesis of blue-shifted luminescent colloidal GaN nanocrystals through femtosecond pulsed laser ablation in organic solution

NASA Astrophysics Data System (ADS)

Demirel, Abdülmelik; Öztaş, Tuğba; Kurşungöz, Canan; Yılmaz, İbrahim; Ortaç, Bülend

2016-05-01

We demonstrate the synthesis of GaN nanocrystals (NCs) with the sizes of less than the doubled exciton Bohr radius leading quantum confinement effects via a single-step technique. The generation of colloidal GaN nanoparticles (NPs) in organic solution through nanosecond (ns) and femtosecond (fs) pulsed laser ablation (PLA) of GaN powder was carried out. Ns PLA in ethanol and polymer matrix resulted in amorphous GaN-NPs with the size distribution of 12.4 ± 7.0 and 6.4 ± 2.3 nm, respectively, whereas fs PLA in ethanol produced colloidal GaN-NCs with spherical shape within 4.2 ± 1.9 nm particle size distribution. XRD and selected area electron diffraction analysis of the product via fs PLA revealed that GaN-NCs are in wurtzite structure. Moreover, X-ray photoelectron spectroscopy measurements also confirm the presence of GaN nanomaterials. The colloidal GaN-NCs solution exhibits strong blue shift in the absorption spectrum compared to that of the GaN-NPs via ns PLA in ethanol. Furthermore, the photoluminescence emission behavior of fs PLA-generated GaN-NCs in the 295-400 nm wavelength range is observed with a peak position located at 305 nm showing a strong blue shift with respect to the bulk GaN.

MRS of pilocytic astrocytoma: The peak at 2 ppm may not be NAA.

PubMed

Tamrazi, Benita; Nelson, Marvin D; Blüml, Stefan

2017-08-01

To determine whether the chemical shift of residual N-acetylaspartate (NAA) signal in pilocytic astrocytomas (PA) is consistent with the position of the NAA peak in controls. MR spectra from 27 pediatric World Health Organization (WHO) grade I pilocytic astrocytoma patients, fifteen patients with WHO grade II and high-grade (III-IV) astrocytomas, and 36 controls were analyzed. All spectra were acquired with a short echo time (35 ms), single voxel point-resolved spectroscopy sequence on clinical 3 tesla scanners. Fully automated LCModel software was used for processing, which included the fitting of peak positions for NAA and creatine (Cr). The chemical shift difference between the NAA and Cr peaks was significantly smaller (by 0.016 ± 0.005 parts per million, P < 1e-10) in PAs than in controls and was also smaller than what was observed in infiltrative astrocytomas. The chemical shift position of the residual NAA peak in PAs is not consistent with NAA. The signal likely originates from an N-acetyl group of one or more other chemicals such as N-acetylated sugars. Magn Reson Med 78:452-456, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Hydrometallurgical Extraction of Zinc and Copper A 57Fe-Mössbauer and XRD Approach

NASA Astrophysics Data System (ADS)

Mulaba-Bafubiandi, A. F.; Waanders, F. B.

2005-02-01

The most commonly used route in the hydrometallurgical extraction of zinc and copper from a sulphide ore is the concentrate roast leach electro winning process. In the present investigation a zinc copper ore from the Maranda mine, located in the Murchison Greenstone Belt, South Africa, containing sphalerite (ZnS) and chalcopyrite (CuFeS2), was studied. The 57Fe-Mössbauer spectrum of the concentrate yielded pyrite, chalcopyrite and clinochlore, consistent with XRD data. Optimal roasting conditions were found to be 900°C for 3 h and the calcine produced contained according to X-ray diffractometry equal amounts of franklinite (ZnFe2O4) and zinc oxide (ZnO) and half the amount of willemite (Zn2SiO4). The Mössbauer spectrum showed predominantly franklinite (59%), hematite (6%) and other Zn- or Cu-depleted ferrites (35%). The latter could not be detected by XRD analyses as peak overlapping with other species occurred. Leaching was done with HCl, H2SO4 and HNO3, to determine which process would result in maximum recovery of Zn and Cu. More than 80% of both were recovered by using either one of the three techniques. From the residue of the leaching, the Fe-compounds were precipitated and <1% of the Zn and Cu was not recovered.

Characterizing the Phyllosilicate Component of the Sheepbed Mudstone in Gale Crater, Mars Using Laboratory XRD and EGA

NASA Technical Reports Server (NTRS)

Rampe, E. B.; Morris, R. V.; Ming, D. W.; Archer, P. D.; Bish, D. L.; Chipera, S. J.; Vaniman, D. T.; Blake, D. F.; Bristow, T. F.; Sutter, B.;

Utilizing Thermal Mass in Refrigerated Display Cases to Reduce Peak Demand

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

Fricke, Brian A; Kuruganti, Teja; Nutaro, James J

The potential to store energy within refrigerated food products presents convenience store and supermarket operators with an opportunity to participate in utility sponsored demand response programs, whereby electricity usage can be shifted or reduced during peak periods. To determine the feasibility of reducing peak demand by shifting the refrigeration load to off-peak times, experimental and analytical analyses were performed. Simulated product, consisting of one-pint containers filled with a 50% ethylene glycol and 50% water solution, were stored in a medium-temperature vertical open refrigerated display case. Product temperature rise as a function of time was determined by turning off the refrigerationmore » to the display case, while product temperature pull-down time was subsequently determined by turning on the refrigeration to the display case. It was found that the thermal mass of the product in a medium-temperature display case was such that during a 2.5 hour period with no refrigeration, the average product temperature increased by 5.5 C. In addition, it took approximately 3.5 hours for the product to recover to its initial temperature after the refrigeration was turned on. Transient heat conduction analyses for one-dimensional objects is in good agreement with the experimental results obtained in this study. From the analysis, it appears that the thermal mass of the stored product in refrigerated display cases is sufficient to allow product temperatures to safely drift for a significant time under reduced refrigeration system operation. Thus, strategies for shifting refrigeration system electrical demand can be developed. The use of an advanced refrigeration system controller that can respond to utility signals can enable demand shifting with minimal impact.« less

Understanding the double peaked El Niño in coupled GCMs

NASA Astrophysics Data System (ADS)

Graham, Felicity S.; Wittenberg, Andrew T.; Brown, Jaclyn N.; Marsland, Simon J.; Holbrook, Neil J.

2017-03-01

Coupled general circulation models (CGCMs) simulate a diverse range of El Niño-Southern Oscillation behaviors. "Double peaked" El Niño events—where two separate centers of positive sea surface temperature (SST) anomalies evolve concurrently in the eastern and western equatorial Pacific—have been evidenced in Coupled Model Intercomparison Project version 5 CGCMs and are without precedent in observations. The characteristic CGCM double peaked El Niño may be mistaken for a central Pacific warming event in El Niño composites, shifted westwards due to the cold tongue bias. In results from the Australian Community Climate and Earth System Simulator coupled model, we find that the western Pacific warm peak of the double peaked El Niño event emerges due to an excessive westward extension of the climatological cold tongue, displacing the region of strong zonal SST gradients towards the west Pacific. A coincident westward shift in the zonal current anomalies reinforces the western peak in SST anomalies, leading to a zonal separation between the warming effect of zonal advection (in the west Pacific) and that of vertical advection (in the east Pacific). Meridional advection and net surface heat fluxes further drive growth of the western Pacific warm peak. Our results demonstrate that understanding historical CGCM El Niño behaviors is a necessary precursor to interpreting projections of future CGCM El Niño behaviors, such as changes in the frequency of eastern Pacific El Niño events, under global warming scenarios.

Novel Sample-handling Approach for XRD Analysis with Minimal Sample Preparation

NASA Technical Reports Server (NTRS)

Sarrazin, P.; Chipera, S.; Bish, D.; Blake, D.; Feldman, S.; Vaniman, D.; Bryson, C.

2004-01-01

Sample preparation and sample handling are among the most critical operations associated with X-ray diffraction (XRD) analysis. These operations require attention in a laboratory environment, but they become a major constraint in the deployment of XRD instruments for robotic planetary exploration. We are developing a novel sample handling system that dramatically relaxes the constraints on sample preparation by allowing characterization of coarse-grained material that would normally be impossible to analyze with conventional powder-XRD techniques.

Efficiency enhancement of ZnO nanostructure assisted Si solar cell based on fill factor enlargement and UV-blue spectral down-shifting

NASA Astrophysics Data System (ADS)

Gholizadeh, A.; Reyhani, A.; Parvin, P.; Mortazavi, S. Z.

2017-05-01

ZnO nanostructures (including nano-plates and nano-rods (NRs)) are grown in various temperatures and Ar/O2 flow rates using thermal chemical vapor deposition, which affect the structure, nano-plate/NR population, and the quality of ZnO nanostructures. X-ray diffraction (XRD) attests that the peak intensity of the crystallographic plane (1 0 0) is correlated to nano-plate abundance. Moreover, optical properties elucidate that the population of nano-plates in samples strongly affect the band gap, binding energy of the exciton, and UV-visible (UV-vis) absorption and spectral luminescence emissions. In fact, the exciton binding energy reduces from ~100 to 80 meV when the population of nano-plates increases in samples. Photovoltaic characteristics based on the drop-casting on Si solar cells reveals three dominant factors, namely, the equivalent series resistance, decreasing reflectance, and down-shifting, in order to scale up the absolute efficiency by 3%. As a consequence, the oxygen vacancies in ZnO nanostructures give rise to the down-shifting and increase of free-carriers, leading to a reduction in the equivalent series resistance and an enlargement of fill factor. To obtain a larger I sc, reduction of spectral reflectance is essential; however, the down-shifting process is shown to be dominant by lessening the surface electron-hole recombination rate over the UV-blue spectral range.

Growth, characterization and estimation of lattice strain and size in CdS nanoparticles: X-ray peak profile analysis

NASA Astrophysics Data System (ADS)

Solanki, Rekha Garg; Rajaram, Poolla; Bajpai, P. K.

2018-05-01

This work is based on the growth, characterization and estimation of lattice strain and crystallite size in CdS nanoparticles by X-ray peak profile analysis. The CdS nanoparticles were synthesized by a non-aqueous solvothermal method and were characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), Raman and UV-visible spectroscopy. XRD confirms that the CdS nanoparticles have the hexagonal structure. The Williamson-Hall (W-H) method was used to study the X-ray peak profile analysis. The strain-size plot (SSP) was used to study the individual contributions of crystallite size and lattice strain from the X-rays peaks. The physical parameters such as strain, stress and energy density values were calculated using various models namely, isotropic strain model, anisotropic strain model and uniform deformation energy density model. The particle size was estimated from the TEM images to be in the range of 20-40 nm. The Raman spectrum shows the characteristic optical 1LO and 2LO vibrational modes of CdS. UV-visible absorption studies show that the band gap of the CdS nanoparticles is 2.48 eV. The results show that the crystallite size estimated from Scherrer's formula, W-H plots, SSP and the particle size calculated by TEM images are approximately similar.

High fat diet promotes achievement of peak bone mass in young rats

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

Malvi, Parmanand; Piprode, Vikrant; Chaube, Balkrishna

Highlights: • High fat diet helps in achieving peak bone mass at younger age. • Shifting from high fat to normal diet normalizes obese parameters. • Bone parameters are sustained even after withdrawal of high fat diet. - Abstract: The relationship between obesity and bone is complex. Epidemiological studies demonstrate positive as well as negative correlation between obesity and bone health. In the present study, we investigated the impact of high fat diet-induced obesity on peak bone mass. After 9 months of feeding young rats with high fat diet, we observed obesity phenotype in rats with increased body weight, fatmore » mass, serum triglycerides and cholesterol. There were significant increases in serum total alkaline phosphatase, bone mineral density and bone mineral content. By micro-computed tomography (μ-CT), we observed a trend of better trabecular bones with respect to their microarchitecture and geometry. This indicated that high fat diet helps in achieving peak bone mass and microstructure at younger age. We subsequently shifted rats from high fat diet to normal diet for 6 months and evaluated bone/obesity parameters. It was observed that after shifting rats from high fat diet to normal diet, fat mass, serum triglycerides and cholesterol were significantly decreased. Interestingly, the gain in bone mineral density, bone mineral content and trabecular bone parameters by HFD was retained even after body weight and obesity were normalized. These results suggest that fat rich diet during growth could accelerate achievement of peak bone mass that is sustainable even after withdrawal of high fat diet.« less

[An automatic peak detection method for LIBS spectrum based on continuous wavelet transform].

PubMed

Chen, Peng-Fei; Tian, Di; Qiao, Shu-Jun; Yang, Guang

2014-07-01

Spectrum peak detection in the laser-induced breakdown spectroscopy (LIBS) is an essential step, but the presence of background and noise seriously disturb the accuracy of peak position. The present paper proposed a method applied to automatic peak detection for LIBS spectrum in order to enhance the ability of overlapping peaks searching and adaptivity. We introduced the ridge peak detection method based on continuous wavelet transform to LIBS, and discussed the choice of the mother wavelet and optimized the scale factor and the shift factor. This method also improved the ridge peak detection method with a correcting ridge method. The experimental results show that compared with other peak detection methods (the direct comparison method, derivative method and ridge peak search method), our method had a significant advantage on the ability to distinguish overlapping peaks and the precision of peak detection, and could be be applied to data processing in LIBS.

[Research on characteristics of soil clay mineral evolution in paddy field and dry land by XRD spectrum].

PubMed

Zhang, Zhi-dan; Li, Qiao; Luo, Xiang-li; Jiang, Hai-chao; Zheng, Qing-fu; Zhao, Lan-po; Wang, Ji-hong

2014-08-01

The present paper took the typical saline-alkali soil in Jilin province as study object, and determinated the soil clay mineral composition characteristics of soil in paddy field and dry land. Then XRD spectrum was used to analyze the evolutionary mechanism of clay mineral in the two kinds of soil. The results showed that the physical and chemical properties of soil in paddy field were better than those in dry land, and paddy field would promote the weathering of mineral particles in saline-alkali soil and enhance the silt content. Paddy field soil showed a strong potassium-removal process, with a higher degree of clay mineral hydration and lower degree of illite crystallinity. Analysis of XRD spectrum showed that the clay mineral composition was similar in two kinds of soil, while the intensity and position of diffraction peak showed difference. The evolution process of clay mineral in dry land was S/I mixture-->vermiculite, while in paddy field it was S/I mixture-->vermiculite-->kaolinite. One kind of hydroxylated 'chlorite' mineral would appear in saline-alkali soil in long-term cultivated paddy field. Taking into account that the physical and chemical properties of soil in paddy field were better then those in dry land, we could know that paddy field could help much improve soil structure, cultivate high-fertility soil and improve saline-alkali soil. This paper used XRD spectrum to determine the characteristics of clay minerals comprehensively, and analyzed two'kinds of land use comparatively, and was a new perspective of soil minerals study.

Clay pigment structure characterisation as a guide for provenance determination--a comparison between laboratory powder micro-XRD and synchrotron radiation XRD.

PubMed

Švarcová, Silvie; Bezdička, Petr; Hradil, David; Hradilová, Janka; Žižak, Ivo

2011-01-01

Application of X-ray diffraction (XRD)-based techniques in the analysis of painted artworks is not only beneficial for indisputable identification of crystal constituents in colour layers, but it can also bring insight in material crystal structure, which can be affected by their geological formation, manufacturing procedure or secondary changes. This knowledge might be helpful for art historic evaluation of an artwork as well as for its conservation. By way of example of kaolinite, we show that classification of its crystal structure order based on XRD data is useful for estimation of its provenance. We found kaolinite in the preparation layer of a Gothic wall painting in a Czech church situated near Karlovy Vary, where there are important kaolin deposits. Comparing reference kaolin materials from eight various Czech deposits, we found that these can be differentiated just according to the kaolinite crystallinity. Within this study, we compared laboratory powder X-ray micro-diffraction (micro-XRD) with synchrotron radiation X-ray diffraction analysing the same real sample. We found that both techniques led to the same results.

Thermoluminescence (TL) properties and x-ray diffraction (XRD) analysis of high purity CaSO{sub 4}:Dy TL material

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

Kamarudin, Nadira; Abdullah, Wan Saffiey Wan; Dollah, Mohd Taufik

2014-09-03

This paper presents the characterization and TL properties of dysprosium (Dy) doped calcium sulfate (CaSO{sub 4}) TL material produced by co-precipitation technique with 0.5mol% concentration of dopant. The morphology of the produced TL material was studied using scanning electron microscope (SEM) and the micrograph shows that rectangular parallelepiped shaped crystal with the average of 150 μm in length were produced. The crystallinity of the produced powder was studied using x-ray powder diffraction (XRD). The XRD spectra show that the TL material produced is high purity anhydrite CaSO{sub 4} with average crystallite size of 74 nm with orthorhombic crystal system. Themore » TL behavior of produced CaSO{sub 4}:Dy was studied using a TLD reader after exposure to gamma ray by Co{sup 60} source with the doses of 1,5 and 10 Gy. The glow curve shows linear response with glow peak around 230°C which is desired development in the field of radiation dosimetry.« less

Simulated Night Shift Disrupts Circadian Rhythms of Immune Functions in Humans.

PubMed

Cuesta, Marc; Boudreau, Philippe; Dubeau-Laramée, Geneviève; Cermakian, Nicolas; Boivin, Diane B

2016-03-15

Recent research unveiled a circadian regulation of the immune system in rodents, yet little is known about rhythms of immune functions in humans and how they are affected by circadian disruption. In this study, we assessed rhythms of cytokine secretion by immune cells and tested their response to simulated night shifts. PBMCs were collected from nine participants kept in constant posture over 24 h under a day-oriented schedule (baseline) and after 3 d under a night-oriented schedule. Monocytes and T lymphocytes were stimulated with LPS and PHA, respectively. At baseline, a bimodal rhythmic secretion was detected for IL-1β, IL-6, and TNF-α: a night peak was primarily due to a higher responsiveness of monocytes, and a day peak was partly due to a higher proportion of monocytes. A rhythmic release was also observed for IL-2 and IFN-γ, with a nighttime peak due to a higher cell count and responsiveness of T lymphocytes. Following night shifts, with the exception of IL-2, cytokine secretion was still rhythmic but with peak levels phase advanced by 4.5-6 h, whereas the rhythm in monocyte and T lymphocyte numbers was not shifted. This suggests distinct mechanisms of regulation between responsiveness to stimuli and cell numbers of the human immune system. Under a night-oriented schedule, only cytokine release was partly shifted in response to the change in the sleep-wake cycle. This led to a desynchronization of rhythmic immune parameters, which might contribute to the increased risk for infection, autoimmune diseases, cardiovascular and metabolic disorders, and cancer reported in shift workers. Copyright © 2016 by The American Association of Immunologists, Inc.

Neuroscience imaging enabled by new highly tunable and high peak power femtosecond lasers

NASA Astrophysics Data System (ADS)

Hakulinen, T.; Klein, J.

2017-02-01

Neuroscience applications benefit from recent developments in industrial femtosecond laser technology. New laser sources provide several megawatts of peak power at wavelength of 1040 nm, which enables simultaneous optogenetics photoactivation of tens or even hundreds of neurons using red shifted opsins. Another recent imaging trend is to move towards longer wavelengths, which would enable access to deeper layers of tissue due to lower scattering and lower absorption in the tissue. Femtosecond lasers pumping a non-collinear optical parametric amplifier (NOPA) enable the access to longer wavelengths with high peak powers. High peak powers of >10 MW at 1300 nm and 1700 nm allow effective 3-photon excitation of green and red shifted calcium indicators respectively and access to deeper, sub-cortex layers of the brain. Early results include in vivo detection of spontaneous activity in hippocampus within an intact mouse brain, where neurons express GCaMP6 activated in a 3-photon process at 1320 nm.

Spectroscopic, DFT, and XRD Studies of Hydrogen Bonds in N-Unsubstituted 2-Aminobenzamides.

PubMed

Mphahlele, Malose Jack; Maluleka, Marole Maria; Rhyman, Lydia; Ramasami, Ponnadurai; Mampa, Richard Mokome

2017-01-04

The structures of the mono- and the dihalogenated N -unsubstituted 2-aminobenzamides were characterized by means of the spectroscopic (¹H-NMR, UV-Vis, FT-IR, and FT-Raman) and X-ray crystallographic techniques complemented with a density functional theory (DFT) method. The hindered rotation of the C(O)-NH₂ single bond resulted in non-equivalence of the amide protons and therefore two distinct resonances of different chemical shift values in the ¹H-NMR spectra of these compounds were observed. 2-Amino-5-bromobenzamide ( ABB ) as a model confirmed the presence of strong intramolecular hydrogen bonds between oxygen and the amine hydrogen. However, intramolecular hydrogen bonding between the carbonyl oxygen and the amine protons was not observed in the solution phase due to a rapid exchange of these two protons with the solvent and fast rotation of the Ar-NH₂ single bond. XRD also revealed the ability of the amide unit of these compounds to function as a hydrogen bond donor and acceptor simultaneously to form strong intermolecular hydrogen bonding between oxygen of one molecule and the NH moiety of the amine or amide group of the other molecule and between the amine nitrogen and the amide hydrogen of different molecules. DFT calculations using the B3LYP/6-311++G(d,p) basis set revealed that the conformer ( A ) with oxygen and 2-amine on the same side predominates possibly due to the formation of a six-membered intramolecular ring, which is assisted by hydrogen bonding as observed in the single crystal XRD structure.

Assessment of the timing of daily peak streamflow during melt season in a snow dominated watershed

USDA-ARS?s Scientific Manuscript database

Previous studies have shown that gauge-observed daily streamflow peak times (DPT) during spring snowmelt can exhibit distinct temporal shifts through the season. These shifts have been attributed to three processes that affect the timing of snowmelt arrival: 1) melt flux translation through the snow...

The slightly-enriched spectral shift control reactor

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

Martin, W.R.; Lee, J.C.; Larsen, E.W.

1991-11-01

An advanced converter reactor design utilizing mechanical spectral shift control rods in a conventional pressurized water reactor configuration is under investigation. The design is based on the principle that a harder spectrum during the early part of the fuel cycle will result in large neutron captures in fertile {sup 238}U, which can then be burned in situ in a softer spectrum later in the cycle. Preliminary design calculations performed during FY 89 showed that the slightly-enriched spectral shift reactor design offers the benefit of substantially increased fuel resource utilization with the proven safety characteristics of the pressurized water reactor technologymore » retained. Optimization of the fuel design and development of fuel management strategies were carried out in FY 90, along with effort to develop and validate neutronic methodology for tight-lattice configurations with hard spectra. During FY 91, the final year of the grant, the final Slightly-Enriched Spectral Shift Reactor (SESSR) design was determined, and reference design analyses were performed for the assemblies as well as the global core configuration, both at the beginning of cycle (BOC) and with depletion. The final SESSR design results in approximately a 20% increase in the utilization of uranium resources, based on equilibrium fuel cycle analyses. Acceptable pin power peaking is obtained with the final core design, with assembly peaking factors equal to less than 1.04 for spectral shift control rods both inserted and withdrawn, and global peaking factors at BOC predicted to be 1.4. In addition, a negative Moderation Temperature Coefficient (MTC) is maintained for BOC, which is difficult to achieve with conventional advanced converter designs based on a closed fuel cycle. The SESSR design avoids the need for burnable poison absorber, although they could be added if desired to increase the cycle length while maintaining a negative MTC.« less

Dynamic XRD, Shock and Static Compression of CaF2

NASA Astrophysics Data System (ADS)

Kalita, Patricia; Specht, Paul; Root, Seth; Sinclair, Nicholas; Schuman, Adam; White, Melanie; Cornelius, Andrew; Smith, Jesse; Sinogeikin, Stanislav

2017-06-01

The high-pressure behavior of CaF2 is probed with x-ray diffraction (XRD) combined with both dynamic compression, using a two-stage light gas gun, and static compression, using diamond anvil cells. We use XRD to follow the unfolding of a shock-driven, fluorite to cotunnite phase transition, on the timescale of nanoseconds. The dynamic behavior of CaF2 under shock loading is contrasted with that under static compression. This work leverages experimental capabilities at the Advanced Photon Source: dynamic XRD and shock experiments at the Dynamic Compression Sector, as well as XRD and static compression in diamond anvil cell at the High-Pressure Collaborative Access Team. These experiments and cross-platform comparisons, open the door to an unprecedented understanding of equations of state and phase transitions at the microstructural level and at different time scales and will ultimately improve our capability to simulate the behavior of materials at extreme conditions. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Modelling the acid/base 1H NMR chemical shift limits of metabolites in human urine.

PubMed

Tredwell, Gregory D; Bundy, Jacob G; De Iorio, Maria; Ebbels, Timothy M D

2016-01-01

Despite the use of buffering agents the 1 H NMR spectra of biofluid samples in metabolic profiling investigations typically suffer from extensive peak frequency shifting between spectra. These chemical shift changes are mainly due to differences in pH and divalent metal ion concentrations between the samples. This frequency shifting results in a correspondence problem: it can be hard to register the same peak as belonging to the same molecule across multiple samples. The problem is especially acute for urine, which can have a wide range of ionic concentrations between different samples. To investigate the acid, base and metal ion dependent 1 H NMR chemical shift variations and limits of the main metabolites in a complex biological mixture. Urine samples from five different individuals were collected and pooled, and pre-treated with Chelex-100 ion exchange resin. Urine samples were either treated with either HCl or NaOH, or were supplemented with various concentrations of CaCl 2 , MgCl 2 , NaCl or KCl, and their 1 H NMR spectra were acquired. Nonlinear fitting was used to derive acid dissociation constants and acid and base chemical shift limits for peaks from 33 identified metabolites. Peak pH titration curves for a further 65 unidentified peaks were also obtained for future reference. Furthermore, the peak variations induced by the main metal ions present in urine, Na + , K + , Ca 2+ and Mg 2+ , were also measured. These data will be a valuable resource for 1 H NMR metabolite profiling experiments and for the development of automated metabolite alignment and identification algorithms for 1 H NMR spectra.

Visual stimulus eccentricity affects human gamma peak frequency.

PubMed

van Pelt, Stan; Fries, Pascal

2013-09-01

The peak frequency of neuronal gamma-band synchronization has received much attention in recent years. Gamma peak frequency shifts to higher frequency values for higher contrast, faster moving, and attended stimuli. In monkey V1, gamma peak frequency for a drifting grating is higher for a parafoveal as compared to an eccentric stimulus (Lima et al., 2010). This effect might be due to the cortical magnification factor: the higher cortical magnification for parafoveal stimuli increases the velocity with which the cortical representations of the moving grating stripes move across the cortical surface. Since faster moving stimuli lead to higher gamma frequency, a faster moving cortical representation might do the same. This explanation predicts that the eccentricity effect on gamma peak frequency is absent for stationary stimuli. To test this, we investigated the effect of eccentricity on gamma peak frequency by recording magnetoencephalography in human subjects while they viewed moving or stationary gratings. We found that both the moving and the stationary stimuli induced lower peak frequencies for larger eccentricities, arguing against an explanation based on the cortical magnification factor. We further investigated whether this eccentricity effect was explained by differences in the size or the spatial frequency of the expected cortical activation. Neither of those explained the eccentricity effect. We propose that the different stimulus and top-down factors leading to higher gamma peak frequency all result in higher stimulus salience, that salience is translated into gamma peak frequency, and that gamma peak frequency might subserve the preferential processing of neuronal activity induced by salient stimuli. Copyright © 2013 Elsevier Inc. All rights reserved.

Central Peak

NASA Technical Reports Server (NTRS)

2003-01-01

[figure removed for brevity, see original site]

Released 8 September 2003

The degraded remains of this crater central peak have a surface cover that is characteristic of high latitudes. This type of surface material is thought to be a mixture of dust and ice. The nameless crater that this central peak is found in is approximately 150 km in diameter and is located in the southern highlands.

Image information: VIS instrument. Latitude -51.6, Longitude 231.4 East (128.6 West). 19 meter/pixel resolution.

Note: this THEMIS visual image has not been radiometrically nor geometrically calibrated for this preliminary release. An empirical correction has been performed to remove instrumental effects. A linear shift has been applied in the cross-track and down-track direction to approximate spacecraft and planetary motion. Fully calibrated and geometrically projected images will be released through the Planetary Data System in accordance with Project policies at a later time.

NASA's Jet Propulsion Laboratory manages the 2001 Mars Odyssey mission for NASA's Office of Space Science, Washington, D.C. The Thermal Emission Imaging System (THEMIS) was developed by Arizona State University, Tempe, in collaboration with Raytheon Santa Barbara Remote Sensing. The THEMIS investigation is led by Dr. Philip Christensen at Arizona State University. Lockheed Martin Astronautics, Denver, is the prime contractor for the Odyssey project, and developed and built the orbiter. Mission operations are conducted jointly from Lockheed Martin and from JPL, a division of the California Institute of Technology in Pasadena.

Vibrio azureus emits blue-shifted light via an accessory blue fluorescent protein.

PubMed

Yoshizawa, Susumu; Karatani, Hajime; Wada, Minoru; Kogure, Kazuhiro

2012-04-01

Luminous marine bacteria usually emit bluish-green light with a peak emission wavelength (λ(max) ) at about 490 nm. Some species belonging to the genus Photobacterium are exceptions, producing an accessory blue fluorescent protein (lumazine protein: LumP) that causes a blue shift, from λ(max)  ≈ 490 to λ(max)  ≈ 476 nm. However, the incidence of blue-shifted light emission or the presence of accessory fluorescent proteins in bacteria of the genus Vibrio has never been reported. From our spectral analysis of light emitted by 16 luminous strains of the genus Vibrio, it was revealed that most strains of Vibrio azureus emit a blue-shifted light with a peak at approximately 472 nm, whereas other Vibrio strains emit light with a peak at around 482 nm. Therefore, we investigated the mechanism underlying this blue shift in V. azureus NBRC 104587(T) . Here, we describe the blue-shifted light emission spectra and the isolation of a blue fluorescent protein. Intracellular protein analyses showed that this strain had a blue fluorescent protein (that we termed VA-BFP), the fluorescent spectrum of which was almost identical to that of the in vivo light emission spectrum of the strain. This result strongly suggested that VA-BFP was responsible for the blue-shifted light emission of V. azureus. © 2012 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

Raman shifts in electron-irradiated monolayer MoS 2

DOE PAGES

Parkin, William M.; Balan, Adrian; Liang, Liangbo; ...

2016-03-21

Here, we report how the presence of electron-beam-induced sulfur vacancies affects first-order Raman modes and correlate the effects with the evolution of the in situ transmission-electron microscopy (TEM) two-terminal conductivity of monolayer MoS 2 under electron irradiation. We observe a redshift in the E Raman peak and a less pronounced blueshift in the A' 1 peak with increasing electron dose. Using energy-dispersive X-ray spectroscopy (EDS), we show that irradiation causes partial removal of sulfur and correlate the dependence of the Raman peak shifts with S vacancy density (a few %), which is confirmed by first-principles density functional theory calculations. Inmore » situ device current measurements show exponential decrease in channel current upon irradiation. Our analysis demonstrates that the observed frequency shifts are intrinsic properties of the defective systems and that Raman spectroscopy can be used as a quantitative diagnostic tool to characterize MoS 2-based transport channels.« less

MultiLaue: A Technique to Extract d-spacings from Laue XRD

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

Gainsforth, Zack; Marcus, Matthew A.; Tamura, Nobumichi

We present that broad spectrum X-ray Diffraction (XRD) is named Laue after Max von Laue, and is the original XRD technique. Today, monochromatic XRD is more common because Bragg's equation allows determination of d-spacings where Laue does not. Laue still remains in use for single crystal systems because it can be used to make very accurate unit cell determinations as well as for strain and orientation mapping. Lastly, a Laue technique which could provide unambiguous determination of lattice spacings, a la Bragg's equation would be a huge leap forward, especially for multiphase samples such as meteorites, interplanetary dust particles andmore » some geological specimens.« less

MultiLaue: A Technique to Extract d-spacings from Laue XRD

DOE PAGES

Gainsforth, Zack; Marcus, Matthew A.; Tamura, Nobumichi; ...

2016-07-25

We present that broad spectrum X-ray Diffraction (XRD) is named Laue after Max von Laue, and is the original XRD technique. Today, monochromatic XRD is more common because Bragg's equation allows determination of d-spacings where Laue does not. Laue still remains in use for single crystal systems because it can be used to make very accurate unit cell determinations as well as for strain and orientation mapping. Lastly, a Laue technique which could provide unambiguous determination of lattice spacings, a la Bragg's equation would be a huge leap forward, especially for multiphase samples such as meteorites, interplanetary dust particles andmore » some geological specimens.« less

Orientation-dependent surface core-level shifts and chemical shifts on clean and H 2S-covered GaAs

NASA Astrophysics Data System (ADS)

Ranke, W.; Finster, J.; Kuhr, H. J.

1987-08-01

Photoelectron spectra of the As 3d and Ga 3d core levels were studied in situ on a cylindrically shaped GaAs single crystal for the six inequivalent orientations (001), (113), (111), (110), (11¯1) and (11¯3). On the clean surface, prepared by molecular beam epitaxy (MBE), surface core levels are shifted by 0.25 to 0.55 eV towards smaller binding energy (BE) for As 3d and -0.25 to -0.35 eV towards higher BE for Ga, depending on orientation. Additional As causes As 3d contributions shifted between -0.45 and -0.7 eV towards higher BE. The position and intensity of them is influenced by H 2S adsorption. At 150 K, H 2S adsorbs preferentially on As sites. As chemical shifts appear at -0.6 to -0.9 eV towards higher BE. Simultaneously, As accumulation occurs on all orientations with the exception of (110). High temperature adsorption (550 K, 720 K) influences mainly the Ga 3d peaks. Two peaks shifted by about -0.45 and -0.8 eV towards higher Be were found which are attributed to Ga atoms with one or two sulfur ligands, respectively. At 720 K, also As depletion is observed. The compatibility of surface core-level positions and intensities with recent structural models for the (111) and (11¯1) surfaces is discussed.

Shift Work, Chronotype, and Melatonin Patterns among Female Hospital Employees on Day and Night Shifts.

PubMed

Leung, Michael; Tranmer, Joan; Hung, Eleanor; Korsiak, Jill; Day, Andrew G; Aronson, Kristan J

2016-05-01

Shift work-related carcinogenesis is hypothesized to be mediated by melatonin; however, few studies have considered the potential effect modification of this underlying pathway by chronotype or specific aspects of shift work such as the number of consecutive nights in a rotation. In this study, we examined melatonin patterns in relation to shift status, stratified by chronotype and number of consecutive night shifts, and cumulative lifetime exposure to shift work. Melatonin patterns of 261 female personnel (147 fixed-day and 114 on rotations, including nights) at Kingston General Hospital were analyzed using cosinor analysis. Urine samples were collected from all voids over a 48-hour specimen collection period for measurement of 6-sulfatoxymelatonin concentrations using the Buhlmann ELISA Kit. Chronotypes were assessed using mid-sleep time (MSF) derived from the Munich Chronotype Questionnaire (MCTQ). Sociodemographic, health, and occupational information were collected by questionnaire. Rotational shift nurses working nights had a lower mesor and an earlier time of peak melatonin production compared to day-only workers. More pronounced differences in mesor and acrophase were seen among later chronotypes, and shift workers working ≥3 consecutive nights. Among nurses, cumulative shift work was associated with a reduction in mesor. These results suggest that evening-types and/or shift workers working ≥3 consecutive nights are more susceptible to adverse light-at-night effects, whereas long-term shift work may also chronically reduce melatonin levels. Cumulative and current exposure to shift work, including nights, affects level and timing of melatonin production, which may be related to carcinogenesis and cancer risk. Cancer Epidemiol Biomarkers Prev; 25(5); 830-8. ©2016 AACR. ©2016 American Association for Cancer Research.

Fast Metabolite Identification in Nuclear Magnetic Resonance Metabolomic Studies: Statistical Peak Sorting and Peak Overlap Detection for More Reliable Database Queries.

PubMed

Hoijemberg, Pablo A; Pelczer, István

2018-01-05

A lot of time is spent by researchers in the identification of metabolites in NMR-based metabolomic studies. The usual metabolite identification starts employing public or commercial databases to match chemical shifts thought to belong to a given compound. Statistical total correlation spectroscopy (STOCSY), in use for more than a decade, speeds the process by finding statistical correlations among peaks, being able to create a better peak list as input for the database query. However, the (normally not automated) analysis becomes challenging due to the intrinsic issue of peak overlap, where correlations of more than one compound appear in the STOCSY trace. Here we present a fully automated methodology that analyzes all STOCSY traces at once (every peak is chosen as driver peak) and overcomes the peak overlap obstacle. Peak overlap detection by clustering analysis and sorting of traces (POD-CAST) first creates an overlap matrix from the STOCSY traces, then clusters the overlap traces based on their similarity and finally calculates a cumulative overlap index (COI) to account for both strong and intermediate correlations. This information is gathered in one plot to help the user identify the groups of peaks that would belong to a single molecule and perform a more reliable database query. The simultaneous examination of all traces reduces the time of analysis, compared to viewing STOCSY traces by pairs or small groups, and condenses the redundant information in the 2D STOCSY matrix into bands containing similar traces. The COI helps in the detection of overlapping peaks, which can be added to the peak list from another cross-correlated band. POD-CAST overcomes the generally overlooked and underestimated presence of overlapping peaks and it detects them to include them in the search of all compounds contributing to the peak overlap, enabling the user to accelerate the metabolite identification process with more successful database queries and searching all tentative

The XRD Amorphous Component in John Klein Drill Fines at Yellowknife Bay, Gale Crater, Mars

NASA Technical Reports Server (NTRS)

Morris, Richard V.; Ming,, Douglas W.; Blake, David; Vaniman, David; Bish, David L; Chipera, Steve; Downs, Robert; Morrison, Shaunna; Gellert, Ralf; Campbell, Iain;

Mechanical properties and XRD of Nafion modified by 2-hydroxyethylammonium ionic liquids

NASA Astrophysics Data System (ADS)

Garaev, V.; Pavlovica, S.; Reinholds, I.; Vaivars, G.

2013-12-01

In this work, the Nafion 112 membrane impregnated with 2-hydroxyethylammonium carboxylate ionic liquids have been investigated. The used ionic liquids were 2-hydroxyethylammonium formate [HEA]F, acetate [HEA]A and lactate [HEA]L. Prepared composite membranes Nafion/ionic liquid are characterized by mechanical testing, such as tensile test and creep test. It is found that ionic liquids decrease elastic modulus and creep compliance, but do not have significant effect on the tensile strength. Also, composite membranes were studied by wide angle X-ray diffraction. All ionic liquids shift the peak maximum to the lower angle. In this work, only biodegradable ionic liquids were used for composite preparation.

Automation of peak-tracking analysis of stepwise perturbed NMR spectra.

PubMed

Banelli, Tommaso; Vuano, Marco; Fogolari, Federico; Fusiello, Andrea; Esposito, Gennaro; Corazza, Alessandra

2017-02-01

We describe a new algorithmic approach able to automatically pick and track the NMR resonances of a large number of 2D NMR spectra acquired during a stepwise variation of a physical parameter. The method has been named Trace in Track (TINT), referring to the idea that a gaussian decomposition traces peaks within the tracks recognised through 3D mathematical morphology. It is capable of determining the evolution of the chemical shifts, intensity and linewidths of each tracked peak.The performances obtained in term of track reconstruction and correct assignment on realistic synthetic spectra were high above 90% when a noise level similar to that of experimental data were considered. TINT was applied successfully to several protein systems during a temperature ramp in isotope exchange experiments. A comparison with a state-of-the-art algorithm showed promising results for great numbers of spectra and low signal to noise ratios, when the graduality of the perturbation is appropriate. TINT can be applied to different kinds of high throughput chemical shift mapping experiments, with quasi-continuous variations, in which a quantitative automated recognition is crucial.

Increased and mistimed sex hormone production in night shift workers.

PubMed

Papantoniou, Kyriaki; Pozo, Oscar J; Espinosa, Ana; Marcos, Josep; Castaño-Vinyals, Gemma; Basagaña, Xavier; Juanola Pagès, Elena; Mirabent, Joan; Martín, Jordi; Such Faro, Patricia; Gascó Aparici, Amparo; Middleton, Benita; Skene, Debra J; Kogevinas, Manolis

2015-05-01

Night shift work has been associated with an increased risk for breast and prostate cancer. The effect of circadian disruption on sex steroid production is a possible underlying mechanism, underinvestigated in humans. We have assessed daily rhythms of sex hormones and melatonin in night and day shift workers of both sexes. We recruited 75 night and 42 day workers, ages 22 to 64 years, in different working settings. Participants collected urine samples from all voids over 24 hours on a working day. Urinary concentrations of 16 sex steroid hormones and metabolites (estrogens, progestagens, and androgens) and 6-sulfatoxymelatonin were measured in all samples. Mean levels and peak time of total and individual metabolite production were compared between night and day workers. Night workers had higher levels of total progestagens [geometric mean ratio (GMR) 1.65; 95% confidence intervals (CI), 1.17-2.32] and androgens (GMR: 1.44; 95% CI, 1.03-2.00), compared with day workers, after adjusting for potential confounders. The increased sex hormone levels among night shift workers were not related to the observed suppression of 6-sulfatoxymelatonin. Peak time of androgens was significantly later among night workers, compared with day workers (testosterone: 12:14 hours; 10:06-14:48 vs. 08:35 hours; 06:52-10:46). We found increased levels of progestagens and androgens as well as delayed peak androgen production in night shift workers compared with day workers. The increase and mistiming of sex hormone production may explain part of the increased risk for hormone-related cancers observed in night shift workers. ©2015 American Association for Cancer Research.

Enhanced vegetation growth peak and its key mechanisms

NASA Astrophysics Data System (ADS)

Huang, K.; Xia, J.; Wang, Y.; Ahlström, A.; Schwalm, C.; Huntzinger, D. N.; Chen, J.; Cook, R. B.; Fang, Y.; Fisher, J. B.; Jacobson, A. R.; Michalak, A.; Schaefer, K. M.; Wei, Y.; Yan, L.; Luo, Y.

2017-12-01

It remains unclear that whether and how the vegetation growth peak has been shifted globally during the past three decades. Here we used two global datasets of gross primary productivity (GPP) and a satellite-derived Normalized Difference Vegetation Index (NDVI) to characterize recent changes in seasonal peak vegetation growth. The attribution of changes in peak growth to their driving factors was examined with several datasets. We demonstrated that the growth peak of global vegetation has been linearly increasing during the past three decades. About 65% of this trend is evenly explained by the expanding croplands (21%), rising atmospheric [CO2] (22%), and intensifying nitrogen deposition (22%). The contribution of expanding croplands to the peak growth trend was substantiated by measurements from eddy-flux towers, sun-induced chlorophyll fluorescence and a global database of plant traits, all of which demonstrated that croplands have a higher photosynthetic capacity than other vegetation types. The contribution of rising atmospheric [CO2] and nitrogen deposition are consistent with the positive response of leaf growth to elevated [CO2] (25%) and nitrogen addition (8%) from 346 manipulated experiments. The positive effect of rising atmospheric [CO2] was also well captured by 15 terrestrial biosphere models. However, most models underestimated the contributions of land-cover change and nitrogen deposition, but overestimated the positive effect of climate change.

Experimental verification of the spectral shift between near- and far-field peak intensities of plasmonic infrared nanoantennas.

PubMed

Alonso-González, P; Albella, P; Neubrech, F; Huck, C; Chen, J; Golmar, F; Casanova, F; Hueso, L E; Pucci, A; Aizpurua, J; Hillenbrand, R

2013-05-17

Theory predicts a distinct spectral shift between the near- and far-field optical response of plasmonic antennas. Here we combine near-field optical microscopy and far-field spectroscopy of individual infrared-resonant nanoantennas to verify experimentally this spectral shift. Numerical calculations corroborate our experimental results. We furthermore discuss the implications of this effect in surface-enhanced infrared spectroscopy.

Phase change wallboard for peak demand reduction

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

George, K.L.; Shepard, M.

1993-12-31

After more than a decade of research in university and government laboratories, wallboard impregnated with a phase change material (PCM) appears to be close to commercialization, and could prove to be a powerful peak demand management tool for utilities, particularly in the residential sector. As a lightweight, easily installed thermal storage medium, PCM wallboard could be suitable for both new construction and retrofit applications. Computer simulations performed at Los Alamos National Laboratory (LANL) predicted that PCM wallboard could shift more than 90 percent of the sensible load of a residential air-conditioning system to off-peak periods, and could permit a 30more » percent reduction in equipment capacity. Residential winter peak loads could also be reduced. An Oak Ridge National Laboratory (ORNL) simulation showed that PCM wallboard could reduce peak heating demand by a third in a Tennessee climate. With more than 70 billion square feet of plasterboard produced annually in the US, widespread adoption of PCM wallboard could have a significant impact on peak load, while moderating temperature swings and enhancing comfort in homes and perhaps commercial spaces as well. Energy savings are also possible when PCM wallboard is used to take advantage of solar gain. LANL simulations predict 28 percent heating energy savings in a Boston passive solar house, and 54 percent savings in Denver. ORNL researchers support these findings -- they calculate that moving windows to the south and adding PCM wallboard could save from one-third to one-half of the heating energy needed in a Denver home.« less

Unsupervised parameter optimization for automated retention time alignment of severely shifted gas chromatographic data using the piecework alignment algorithm.

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

Pierce, Karisa M.; Wright, Bob W.; Synovec, Robert E.

2007-02-02

First, simulated chromatographic separations with declining retention time precision were used to study the performance of the piecewise retention time alignment algorithm and to demonstrate an unsupervised parameter optimization method. The average correlation coefficient between the first chromatogram and every other chromatogram in the data set was used to optimize the alignment parameters. This correlation method does not require a training set, so it is unsupervised and automated. This frees the user from needing to provide class information and makes the alignment algorithm more generally applicable to classifying completely unknown data sets. For a data set of simulated chromatograms wheremore » the average chromatographic peak was shifted past two neighboring peaks between runs, the average correlation coefficient of the raw data was 0.46 ± 0.25. After automated, optimized piecewise alignment, the average correlation coefficient was 0.93 ± 0.02. Additionally, a relative shift metric and principal component analysis (PCA) were used to independently quantify and categorize the alignment performance, respectively. The relative shift metric was defined as four times the standard deviation of a given peak’s retention time in all of the chromatograms, divided by the peak-width-at-base. The raw simulated data sets that were studied contained peaks with average relative shifts ranging between 0.3 and 3.0. Second, a “real” data set of gasoline separations was gathered using three different GC methods to induce severe retention time shifting. In these gasoline separations, retention time precision improved ~8 fold following alignment. Finally, piecewise alignment and the unsupervised correlation optimization method were applied to severely shifted GC separations of reformate distillation fractions. The effect of piecewise alignment on peak heights and peak areas is also reported. Piecewise alignment either did not change the peak height, or caused it to

Automatic alignment of individual peaks in large high-resolution spectral data sets

NASA Astrophysics Data System (ADS)

Stoyanova, Radka; Nicholls, Andrew W.; Nicholson, Jeremy K.; Lindon, John C.; Brown, Truman R.

2004-10-01

Pattern recognition techniques are effective tools for reducing the information contained in large spectral data sets to a much smaller number of significant features which can then be used to make interpretations about the chemical or biochemical system under study. Often the effectiveness of such approaches is impeded by experimental and instrument induced variations in the position, phase, and line width of the spectral peaks. Although characterizing the cause and magnitude of these fluctuations could be important in its own right (pH-induced NMR chemical shift changes, for example) in general they obscure the process of pattern discovery. One major area of application is the use of large databases of 1H NMR spectra of biofluids such as urine for investigating perturbations in metabolic profiles caused by drugs or disease, a process now termed metabonomics. Frequency shifts of individual peaks are the dominant source of such unwanted variations in this type of data. In this paper, an automatic procedure for aligning the individual peaks in the data set is described and evaluated. The proposed method will be vital for the efficient and automatic analysis of large metabonomic data sets and should also be applicable to other types of data.

High fat diet promotes achievement of peak bone mass in young rats.

PubMed

Malvi, Parmanand; Piprode, Vikrant; Chaube, Balkrishna; Pote, Satish T; Mittal, Monika; Chattopadhyay, Naibedya; Wani, Mohan R; Bhat, Manoj Kumar

2014-12-05

The relationship between obesity and bone is complex. Epidemiological studies demonstrate positive as well as negative correlation between obesity and bone health. In the present study, we investigated the impact of high fat diet-induced obesity on peak bone mass. After 9 months of feeding young rats with high fat diet, we observed obesity phenotype in rats with increased body weight, fat mass, serum triglycerides and cholesterol. There were significant increases in serum total alkaline phosphatase, bone mineral density and bone mineral content. By micro-computed tomography (μ-CT), we observed a trend of better trabecular bones with respect to their microarchitecture and geometry. This indicated that high fat diet helps in achieving peak bone mass and microstructure at younger age. We subsequently shifted rats from high fat diet to normal diet for 6 months and evaluated bone/obesity parameters. It was observed that after shifting rats from high fat diet to normal diet, fat mass, serum triglycerides and cholesterol were significantly decreased. Interestingly, the gain in bone mineral density, bone mineral content and trabecular bone parameters by HFD was retained even after body weight and obesity were normalized. These results suggest that fat rich diet during growth could accelerate achievement of peak bone mass that is sustainable even after withdrawal of high fat diet.

PeakWorks

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

2016-11-30

The PeakWorks software is designed to assist in the quantitative analysis of atom probe tomography (APT) generated mass spectra. Specifically, through an interactive user interface, mass peaks can be identified automatically (defined by a threshold) and/or identified manually. The software then provides a means to assign specific elemental isotopes (including more than one) to each peak. The software also provides a means for the user to choose background subtraction of each peak based on background fitting functions, the choice of which is left to the users discretion. Peak ranging (the mass range over which peaks are integrated) is also automatedmore » allowing the user to chose a quantitative range (e.g. full-widthhalf- maximum). The software then integrates all identified peaks, providing a background-subtracted composition, which also includes the deconvolution of peaks (i.e. those peaks that happen to have overlapping isotopic masses). The software is also able to output a 'range file' that can be used in other software packages, such as within IVAS. A range file lists the peak identities, the mass range of each identified peak, and a color code for the peak. The software is also able to generate 'dummy' peak ranges within an outputted range file that can be used within IVAS to provide a means for background subtracted proximity histogram analysis.« less

Tidal and near-inertial peak variations around the diurnal critical latitude

NASA Astrophysics Data System (ADS)

van Haren, Hans

2005-12-01

Spectra from historic long-term open-ocean moored current meter data between latitudes 0° < |$\\varphi$| < 45° reveal a significant drop in semidiurnal tidal band (D2) energy by ~50% at |$\\varphi$| ~ 25-27°, whilst the peak near the local inertial frequency f is increased by a factor of ~10 up to the level of D2-energy at |$\\varphi$| ~ 28-30°, where f coincides with diurnal frequencies. The increase in f-energy is accompanied by a red-shift of the peak frequency to 0.97 +/- 0.01f, or a poleward spreading of enhanced energy. This contrasts with more common blue-shift. The enhancement may be the result of sub-harmonic instability, as supported by sparse significant bicoherence at half-D2, although i) systematic enhancement of diurnal tidal frequencies, notably M1, was not observed, ii) the latitudes of low D2-energy and high f-energy do not coincide. This may be due to a mix of coupled and independent waves, whilst the poleward trapping of sub-f energy suggests non-traditional effects.

Photothermal effects in phase shifted FBG with varied light wavelength and intensity.

PubMed

Ding, Meng; Chen, Dijun; Fang, Zujie; Wang, Di; Zhang, Xi; Wei, Fang; Yang, Fei; Ying, Kang; Cai, Haiwen

2016-10-31

The intensity enhancement effect of a phase-shifted fiber Bragg grating (PSFBG) is investigated theoretically and experimentally in this paper. Due to the effect, both of the FBG reflection bands and the transmission peak show red-shift with the increase of pump light wavelength from the shorter side to the longer side of the Bragg wavelength. The transmission peak shifts in pace with the pump's wavelength, which is much faster than the reflection band. The maximum shift increases with the pump power. In contrast, the red-shift is very small when the pump light deceases from the longer side of the Bragg wavelength. Such asymmetric behavior is checked dynamically by using a frequency modulated laser in a serrated wave, showing push-pull behavior. The effect of the characteristics of thermal dissipation conditions is also measured. The fiber loss coefficient of FBG being tested is estimated from the measured data to be about 0.001 mm^-1, which may be attributed to the H₂-loading and UV exposure in FBG fabrication. The observed phenomena are believed of importance in application where PSFBG is utilized as a narrow linewidth filter.

Impact of temperature-velocity distribution on fusion neutron peak shape

DOE PAGES

Munro, D. H.; Field, J. E.; Hatarik, R.; ...

2017-02-21

Doppler broadening of the 14 MeV DT and 2.45 MeV DD fusion neutron lines has long been our best measure of temperature in a burning plasma. At the National Ignition Facility (NIF), yields are high enough and our neutron spectrometers accurate enough that we see finer details of the peak shape. For example, we can measure the shift of the peak due to the bulk motion of the plasma, and we see indications of non-thermal broadening, skew, and kurtosis of the peak caused by the variations of temperature and fluid velocity during burn. We can also distinguish spectral differences amongmore » several lines of sight. Finally, this paper will review the theory of fusion neutron line shape, show examples of non-Gaussian line shapes and directional variations in NIF data, and describe detailed spectral shapes we see in radiation-hydrodynamics simulations of implosions.« less

Impact of temperature-velocity distribution on fusion neutron peak shape

NASA Astrophysics Data System (ADS)

Munro, D. H.; Field, J. E.; Hatarik, R.; Peterson, J. L.; Hartouni, E. P.; Spears, B. K.; Kilkenny, J. D.

2017-05-01

Doppler broadening of the 14 MeV DT and 2.45 MeV DD fusion neutron lines has long been our best measure of temperature in a burning plasma. At the National Ignition Facility (NIF), yields are high enough and our neutron spectrometers accurate enough that we see finer details of the peak shape. For example, we can measure the shift of the peak due to the bulk motion of the plasma, and we see indications of non-thermal broadening, skew, and kurtosis of the peak caused by the variations of temperature and fluid velocity during burn. We can also distinguish spectral differences among several lines of sight. This paper will review the theory of fusion neutron line shape, show examples of non-Gaussian line shapes and directional variations in NIF data, and describe detailed spectral shapes we see in radiation-hydrodynamics simulations of implosions.

Use of shift gradient in the second dimension to improve the separation space in comprehensive two-dimensional liquid chromatography.

PubMed

Li, Duxin; Schmitz, Oliver J

2013-08-01

Comprehensive two-dimensional liquid chromatography (LC × LC) has received much attention because it offers much higher peak capacities than separation in a single dimension. The advantageous peak capacity makes it attractive for the separation of complex samples. Various gradient methods have been used in LC × LC systems. The use of continuous shift gradient is advantageous because it combines the peak compression effect of full gradient mode and the tailed gradient program in parallel gradient mode. Here, a comparison of LC × LC analysis of Chinese herbal medicine with full gradient mode and shift gradient mode in the second dimension was performed. A correlation between the first and second dimensions was found in full gradient mode, and this was significantly reduced with shift gradient mode. The orthogonality increased by 43.7%. The effective peak distribution area increased significantly, which produced better separation.

Combining automated peak tracking in SAR by NMR with structure-based backbone assignment from 15N-NOESY

PubMed Central

2012-01-01

Background Chemical shift mapping is an important technique in NMR-based drug screening for identifying the atoms of a target protein that potentially bind to a drug molecule upon the molecule's introduction in increasing concentrations. The goal is to obtain a mapping of peaks with known residue assignment from the reference spectrum of the unbound protein to peaks with unknown assignment in the target spectrum of the bound protein. Although a series of perturbed spectra help to trace a path from reference peaks to target peaks, a one-to-one mapping generally is not possible, especially for large proteins, due to errors, such as noise peaks, missing peaks, missing but then reappearing, overlapped, and new peaks not associated with any peaks in the reference. Due to these difficulties, the mapping is typically done manually or semi-automatically, which is not efficient for high-throughput drug screening. Results We present PeakWalker, a novel peak walking algorithm for fast-exchange systems that models the errors explicitly and performs many-to-one mapping. On the proteins: hBclXL, UbcH5B, and histone H1, it achieves an average accuracy of over 95% with less than 1.5 residues predicted per target peak. Given these mappings as input, we present PeakAssigner, a novel combined structure-based backbone resonance and NOE assignment algorithm that uses just 15N-NOESY, while avoiding TOCSY experiments and 13C-labeling, to resolve the ambiguities for a one-to-one mapping. On the three proteins, it achieves an average accuracy of 94% or better. Conclusions Our mathematical programming approach for modeling chemical shift mapping as a graph problem, while modeling the errors directly, is potentially a time- and cost-effective first step for high-throughput drug screening based on limited NMR data and homologous 3D structures. PMID:22536902

Do Slow and Steady Residents Win the Race? Modeling the Effects of Peak and Overall Resident Productivity in the Emergency Department.

PubMed

Joseph, Joshua W; Novack, Victor; Wong, Matthew L; Nathanson, Larry A; Sanchez, Leon D

2017-08-01

Emergency medicine residents need to be staffed in a way that balances operational needs with their educational experience. Key to developing an optimal schedule is knowing a resident's expected productivity, a poorly understood metric. We sought to measure how a resident's busiest (peak) workload affects their overall productivity for the shift. We conducted a retrospective, observational study of resident productivity at an urban, tertiary care center with a 3-year Accreditation Council for Graduate Medical Education-approved emergency medicine training program, with 55,000 visits annually. We abstracted resident productivity data from a database of patient assignments from July 1, 2010 to June 20, 2015, utilizing a generalized estimation equation method to evaluate physician shifts. Our primary outcome measure was the total number of patients seen by a resident over a shift. The secondary outcome was the number of patients seen excluding those in the peak hour. A total of 14,361 shifts were evaluated. Multivariate analysis showed that the total number of patients seen was significantly associated with the number of patients seen during the peak hour, level of training, the timing of the shift, but most prominently, lower variance in patients seen per hour (coefficient of variation < 0.10). A resident's peak productivity can be a strong predictor of their overall productivity, but the substantial negative effect of variability favors a steadier pace. This suggests that resident staffing and patient assignments should generally be oriented toward a more consistent workload, an effect that should be further investigated with attending physicians. Copyright © 2017 Elsevier Inc. All rights reserved.

Review and Analysis of Peak Tracking Techniques for Fiber Bragg Grating Sensors

PubMed Central

2017-01-01

Fiber Bragg Grating (FBG) sensors are among the most popular elements for fiber optic sensor networks used for the direct measurement of temperature and strain. Modern FBG interrogation setups measure the FBG spectrum in real-time, and determine the shift of the Bragg wavelength of the FBG in order to estimate the physical parameters. The problem of determining the peak wavelength of the FBG from a spectral measurement limited in resolution and noise, is referred as the peak-tracking problem. In this work, the several peak-tracking approaches are reviewed and classified, outlining their algorithmic implementations: the methods based on direct estimation, interpolation, correlation, resampling, transforms, and optimization are discussed in all their proposed implementations. Then, a simulation based on coupled-mode theory compares the performance of the main peak-tracking methods, in terms of accuracy and signal to noise ratio resilience. PMID:29039804

Wavelength Shifting in InP based Ultra-thin Quantum Well Infrared Photodetectors

NASA Technical Reports Server (NTRS)

Sengupta, D. K.; Gunapala, S. D.; Bandara, S. V.; Pool, F.; Liu, J. K.; McKelvy, M.

1998-01-01

We have demonstrated red-shifting of the wavelength response of a bound-to-continuum p-type ultra-thin InGaAs/Inp quantum well infrared photodetector after growth via rapid thermal annealing. Compared to the as-grown detector, the peak spectral response of the annealed detector was shifted to longer wavelength without any major degradation in responsivity characteristics.

Cascaded Raman shifting of high-peak-power nanosecond pulses in As₂S₃ and As₂Se₃ optical fibers.

PubMed

White, Richard T; Monro, Tanya M

2011-06-15

We report efficient cascaded Raman scattering of near-IR nanosecond pulses in large-core (65 μm diameter) As₂S₃ and As₂Se₃ optical fibers. Raman scattering dominates other spectral broadening mechanisms, such as four-wave mixing, modulation instability, and soliton dynamics, because the fibers have large normal group-velocity dispersion in the spectral range of interest. With ~2 ns pump pulses at a wavelength of 1.9 μm, four Stokes peaks, all with peak powers greater than 1 kW, have been measured.

Energetics of photosynthetic glow peaks

PubMed Central

DeVault, Don; Govindjee; Arnold, William

1983-01-01

By postulating temperature-dependent equilibria between two or more electron carriers acting as traps for electrons or holes, it is possible to modify the Randall-Wilkins theory of thermoluminescence so as to explain the abnormally large apparent activation energies and apparent frequency factors observed in photosynthetic glow curves when fitted by unmodified Randall-Wilkins theory. The equilibria serve to inhibit the formation of the light-emitting excited state by withholding the needed precursor state. When the inhibition is released at higher temperature by shift of equilibrium with temperature, the rise of the glow peak can be much faster than would result from Arrhenius behavior based on the true activation energy and so appears to correspond to a higher activation energy accompanied by a larger frequency factor. From another viewpoint, the enthalpy changes, ΔH, of the equilibria tend to add to the activation energy. Similarly the entropy changes, ΔS, of the equilibria tend to add to the entropy of activation, giving the large apparent frequency factors. The positive values of ΔS needed would correspond to entropy decreases in the forward early electron transport. A comparison of the glow peaks obtained by different workers is also presented. PMID:16593283

[Spectral characteristics and implication of granite from pozaiying molybdenite deposits in west of Guangdong].

PubMed

An, Yan-Fei; Zhong, Li-li; Zhou, Yang-Zhang; Chen, Qing; Li, Xing-yuan

2014-06-01

Some granite samples from Pozaiying molybdenite deposits in the west of Guangdong were retrieved to characterize the spectral signature of XRD, FT-NIR and Raman. The results show that compared to the Porphyry granite and granite in the far zone, the signal of XRD and Raman of granite in near zone is weaker while the signal of FT-NIR is stronger. The authors' analyses indicate that the FWHM of quartz (101) peak in XRD, Sericite peak (4 529 cm(-1)) in FT-NIR and quartz peak in Raman shift from the latter are higher than those of former two. Those spectral characteristics indicate that compared with other samples, the content of petrogenetic mineral in samples from near zone is lower while the content of alteration mineral is higher, and its crystallinity and crystallization temperatures are both lower. The authors' studies suggest that there may be an alteration zone, embracing the granite-porphyry, which comprised low temperature mineral, and the quartz-porphyry which related to molybdenite mineralization belongs to the zone near Guanshanzhang mass.

Analysis of reflection-peak wavelengths of sampled fiber Bragg gratings with large chirp.

PubMed

Zou, Xihua; Pan, Wei; Luo, Bin

2008-09-10

The reflection-peak wavelengths (RPWs) in the spectra of sampled fiber Bragg gratings with large chirp (SFBGs-LC) are theoretically investigated. Such RPWs are divided into two parts, the RPWs of equivalent uniform SFBGs (U-SFBGs) and the wavelength shift caused by the large chirp in the grating period (CGP). We propose a quasi-equivalent transform to deal with the CGP. That is, the CGP is transferred into quasi-equivalent phase shifts to directly derive the Fourier transform of the refractive index modulation. Then, in the case of both the direct and the inverse Talbot effect, the wavelength shift is obtained from the Fourier transform. Finally, the RPWs of SFBGs-LC can be achieved by combining the wavelength shift and the RPWs of equivalent U-SFBGs. Several simulations are shown to numerically confirm these predicted RPWs of SFBGs-LC.

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

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

Debehets, J.; Homm, P.; Menghini, M.

In this paper, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate detector and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-level. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-levelmore » pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH4)2S-solutions in an inert atmosphere (N2-gas). Although the (NH4)2S-cleaning in N2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH4)2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs. This work has been funded by J.D.'s PhD fellowship of the Fund of Scientific Research-Flanders (FWO-V) (Dossier No. 11U4516N). P.H. acknowledges support from Becas Chile-CONICYT. This research was also supported by the FWO Odysseus Program, the Belgian Hercules Stichting with the Project No. Her/08/25 and AKUL/13/19 and the KU Leuven project GOA "Fundamental challenges in Semiconductor Research". The authors would also like to thank Bastiaan Opperdoes and Ludwig Henderix for technical support. The work was supported by the U.S. Department of Energy (USDOE), Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, and performed in the Environmental Molecular

Red-shifted Renilla reniformis luciferase variants for imaging in living subjects.

PubMed

Loening, Andreas Markus; Wu, Anna M; Gambhir, Sanjiv Sam

2007-08-01

The use of R. reniformis luciferase (RLuc) as a reporter gene in small-animal imaging has been hampered by its 481 nm peaked emission spectrum, as blue wavelengths are strongly attenuated in biological tissues. To overcome this, we generated variants of RLuc with bathochromic (red) shifts of up to 66 nm (547 nm peak) that also had greater stability and higher light emission than native RLuc.

Non-conventional applications of a noninvasive portable X-ray diffraction/fluorescence instrument

NASA Astrophysics Data System (ADS)

Chiari, Giacomo; Sarrazin, Philippe; Heginbotham, Arlen

2016-11-01

Noninvasive techniques have become widespread in the cultural heritage analytical domain. The popular handheld X-ray fluorescence (XRF) devices give the elemental composition of all the layers that X-rays can penetrate, but no information on how atoms are bound together or at which depth they are located. A noninvasive portable X-ray powder diffraction/X-ray fluorescence (XRD/XRF) device may offer a solution to these limitations, since it can provide information on the composition of crystalline materials. This paper introduces applications of XRD beyond simple phase recognition. The two fundamental principles for XRD are: (1) the crystallites should be randomly oriented, to ensure proper intensity to all the diffraction peaks, and (2) the material should be positioned exactly in the focal plane of the instrument, respecting its geometry, as any displacement of the sample would results in 2 θ shifts of the diffraction peaks. In conventional XRD, the sample is ground and set on the properly positioned sample holder. Using a noninvasive portable instrument, these two requirements are seldom fulfilled. The position, size and orientation of a given crystallite within a layered structure depend on the object itself. Equation correlating the displacement (distance from the focal plane) versus peak shift (angular difference in 2 θ from the standard value) is derived and used to determine the depth at which a given substance is located. The quantitative composition of two binary Cu/Zn alloys, simultaneously present, was determined measuring the cell volume and using Vegard's law. The analysis of the whole object gives information on the texture and possible preferred orientations of the crystallites, which influences the peak intensity. This allows for the distinction between clad and electroplated daguerreotypes in the case of silver and between ancient and modern gilding for gold. Analyses of cross sections can be carried out successfully. Finally, beeswax, used in

Phase-shift detection in a Fourier-transform method for temperature sensing using a tapered fiber microknot resonator.

PubMed

Larocque, Hugo; Lu, Ping; Bao, Xiaoyi

2016-04-01

Phase-shift detection in a fast-Fourier-transform (FFT)-based spectrum analysis technique for temperature sensing using a tapered fiber microknot resonator is proposed and demonstrated. Multiple transmission peaks in the FFT spectrum of the device were identified as optical modes having completed different amounts of round trips within the ring structure. Temperature variation induced phase shifts for each set of peaks were characterized, and experimental results show that different peaks have distinct temperature sensitivities reaching values up to -0.542  rad/°C, which is about 10 times greater than that of a regular adiabatic taper Mach-Zehnder interferometer when using similar phase-tracking schemes.

Vibrational dynamics and boson peak in a supercooled polydisperse liquid.

PubMed

Abraham, Sneha Elizabeth; Bagchi, Biman

2010-03-01

Vibrational density of states (VDOS) in a supercooled polydisperse liquid is computed by diagonalizing the Hessian matrix evaluated at the potential energy minima for systems with different values of polydispersity. An increase in polydispersity leads to an increase in the relative population of localized high-frequency modes. At low frequencies, the density of states shows an excess compared to the Debye squared-frequency law, which has been identified with the boson peak. The height of the boson peak increases with polydispersity and shows a rather narrow sensitivity to changes in temperature. While the modes comprising the boson peak appear to be largely delocalized, there is a sharp drop in the participation ratio of the modes that exist just below the boson peak indicative of the quasilocalized nature of the low-frequency vibrations. Study of the difference spectrum at two different polydispersity reveals that the increase in the height of boson peak is due to a population shift from modes with frequencies above the maximum in the VDOS to that below the maximum, indicating an increase in the fraction of the unstable modes in the system. The latter is further supported by the facilitation of the observed dynamics by polydispersity. Since the strength of the liquid increases with polydispersity, the present result provides an evidence that the intensity of boson peak correlates positively with the strength of the liquid, as observed earlier in many experimental systems.

Real - time Optimization of Distributed Energy Storage System Operation Strategy Based on Peak Load Shifting

NASA Astrophysics Data System (ADS)

Wang, Qian; Lu, Guangqi; Li, Xiaoyu; Zhang, Yichi; Yun, Zejian; Bian, Di

2018-01-01

To take advantage of the energy storage system (ESS) sufficiently, the factors that the service life of the distributed energy storage system (DESS) and the load should be considered when establishing optimization model. To reduce the complexity of the load shifting of DESS in the solution procedure, the loss coefficient and the equal capacity ratio distribution principle were adopted in this paper. Firstly, the model was established considering the constraint conditions of the cycles, depth, power of the charge-discharge of the ESS, the typical daily load curves, as well. Then, dynamic programming method was used to real-time solve the model in which the difference of power Δs, the real-time revised energy storage capacity Sk and the permission error of depth of charge-discharge were introduced to optimize the solution process. The simulation results show that the optimized results was achieved when the load shifting in the load variance was not considered which means the charge-discharge of the energy storage system was not executed. In the meantime, the service life of the ESS would increase.

Synthesis, structural and vibrational investigation on 2-phenyl-N-(pyrazin-2-yl)acetamide combining XRD diffraction, FT-IR and NMR spectroscopies with DFT calculations.

PubMed

Lukose, Jilu; Yohannan Panicker, C; Nayak, Prakash S; Narayana, B; Sarojini, B K; Van Alsenoy, C; Al-Saadi, Abdulaziz A

2015-01-25

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 (1)H-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 C-H⋯O and N-H⋯O intermolecular interactions. Copyright © 2014 Elsevier B.V. All rights reserved.

THE ROLE OF FISSION IN NEUTRON STAR MERGERS AND ITS IMPACT ON THE r-PROCESS PEAKS

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

Eichler, M.; Panov, I.; Rauscher, T.

2015-07-20

Comparing observational abundance features with nucleosynthesis predictions of stellar evolution or explosion simulations, we can scrutinize two aspects: (a) the conditions in the astrophysical production site and (b) the quality of the nuclear physics input utilized. We test the abundance features of r-process nucleosynthesis calculations for the dynamical ejecta of neutron star merger simulations based on three different nuclear mass models: The Finite Range Droplet Model, the (quenched version of the) Extended Thomas Fermi Model with Strutinsky Integral, and the Hartree–Fock–Bogoliubov mass model. We make use of corresponding fission barrier heights and compare the impact of four different fission fragmentmore » distribution models on the final r-process abundance distribution. In particular, we explore the abundance distribution in the second r-process peak and the rare-earth sub-peak as a function of mass models and fission fragment distributions, as well as the origin of a shift in the third r-process peak position. The latter has been noticed in a number of merger nucleosynthesis predictions. We show that the shift occurs during the r-process freeze-out when neutron captures and β-decays compete and an (n,γ)–(γ,n) equilibrium is no longer maintained. During this phase neutrons originate mainly from fission of material above A = 240. We also investigate the role of β-decay half-lives from recent theoretical advances, which lead either to a smaller amount of fissioning nuclei during freeze-out or a faster (and thus earlier) release of fission neutrons, which can (partially) prevent this shift and has an impact on the second and rare-earth peak as well.« less

Simulated East-west differences in F-region peak electron density at Far East mid-latitude region

NASA Astrophysics Data System (ADS)

Ren, Zhipeng; Zhao, Biqiang; Wan, Weixing; Liu, Libo

2017-04-01

In the present work, using Three-Dimensional Theoretical Ionospheric Model of the Earth in Institute of Geology and Geophysics, Chinese Academy of Sciences (TIME3D-IGGCAS), we simulated the east-west differences in Fregion peak electron density (NmF2) at Far East mid-latitude region.We found that, after removing the longitudinal variations of neutral parameters, TIME3D-IGGCAS can better represent the observed relative east-west difference (Rew) features. Rew is mainly negative (West NmF2 > East NmF2) at noon and positive (East NmF2 >West NmF2) at evening-night. The magnitude of daytime negative Rew is weak at local winter and strong at local summer, and the daytime Rew show two negative peaks around two equinoxes. With the increasing of solar flux level, the magnitude of Rew mainly become larger, and two daytime negative peaks slight shifts to June Solstice. With the decreasing of geographical latitude, Rew mainly become positive, and two daytime negative peaks slight shifts to June Solstice. Our simulation also suggested that the thermospheric zonal wind combined with the geomagnetic field configuration play a pivotal role in the formation of the ionospheric east-west differences at Far East midlatitude region.

Simulated East-west differences in F-region peak electron density at Far East mid-latitude region

NASA Astrophysics Data System (ADS)

Ren, Z.; Wan, W.

2017-12-01

In the present work, using Three-Dimensional Theoretical Ionospheric Model of the Earth in Institute of Geology and Geophysics, Chinese Academy of Sciences (TIME3D-IGGCAS), we simulated the east-west differences in Fregion peak electron density (NmF2) at Far East mid-latitude region.We found that, after removing the longitudinal variations of neutral parameters, TIME3D-IGGCAS can better represent the observed relative east-west difference (Rew) features. Rew is mainly negative (West NmF2 > East NmF2) at noon and positive (East NmF2 >West NmF2) at evening-night. The magnitude of daytime negative Rew is weak at local winter and strong at local summer, and the daytime Rew show two negative peaks around two equinoxes. With the increasing of solar flux level, the magnitude of Rew mainly become larger, and two daytime negative peaks slight shifts to June Solstice. With the decreasing of geographical latitude, Rew mainly become positive, and two daytime negative peaks slight shifts to June Solstice. Our simulation also suggested that the thermospheric zonal wind combined with the geomagnetic field configuration play a pivotal role in the formation of the ionospheric east-west differences at Far East midlatitude region.

SU-E-T-553: Monte Carlo Calculation of Proton Bragg Peak Displacements in the Presence of Al2O3:C Dosimeters

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

Young, L; Yang, F

2015-06-15

Purpose: The application of optically stimulated luminescence dosimeters (OSLDs) may be extended to clinical investigations verifying irradiated doses in small animal models. In proton beams, the accurate positioning of the Bragg peak is essential for tumor targeting. The purpose of this study was to estimate the displacement of a pristine Bragg peak when an Al2O3:C nanodot (Landauer, Inc.) is placed on the surface of a water phantom and to evaluate corresponding changes in dose. Methods: Clinical proton pencil beam simulations were carried out with using TOPAS, a Monte Carlo platform layered on top of GEANT4. Point-shaped beams with no energymore » spread were modeled for energies 100MV, 150MV, 200MV, and 250MV. Dose scoring for 100,000 particle histories was conducted within a water phantom (20cm × 20cm irradiated area, 40cm depth) with its surface placed 214.5cm away from the source. The modeled nanodot had a 4mm radius and 0.2mm thickness. Results: A comparative analysis of Monte Carlo depth dose profiles modeled for these proton pencil beams did not demonstrate an energy dependent in the Bragg peak shift. The shifts in Bragg Peak depth for water phantoms modeled with a nanodot on the phantom surface ranged between 2.7 to 3.2 mm. In all cases, the Bragg Peaks were shifted closer to the irradiation source. The peak dose in phantoms with an OSLD remained unchanged with percent dose differences less than 0.55% when compared to phantom doses without the nanodot. Conclusion: Monte Carlo calculations show that the presence of OSLD nanodots in proton beam therapy will not change the position of a pristine Bragg Peak by more than 3 mm. Although the 3.0 mm shift will not have a detrimental effect in patients receiving proton therapy, this effect may not be negligible in dose verification measurements for mouse models at lower proton beam energies.« less

Dispersion-convolution model for simulating peaks in a flow injection system.

PubMed

Pai, Su-Cheng; Lai, Yee-Hwong; Chiao, Ling-Yun; Yu, Tiing

2007-01-12

A dispersion-convolution model is proposed for simulating peak shapes in a single-line flow injection system. It is based on the assumption that an injected sample plug is expanded due to a "bulk" dispersion mechanism along the length coordinate, and that after traveling over a distance or a period of time, the sample zone will develop into a Gaussian-like distribution. This spatial pattern is further transformed to a temporal coordinate by a convolution process, and finally a temporal peak image is generated. The feasibility of the proposed model has been examined by experiments with various coil lengths, sample sizes and pumping rates. An empirical dispersion coefficient (D*) can be estimated by using the observed peak position, height and area (tp*, h* and At*) from a recorder. An empirical temporal shift (Phi*) can be further approximated by Phi*=D*/u2, which becomes an important parameter in the restoration of experimental peaks. Also, the dispersion coefficient can be expressed as a second-order polynomial function of the pumping rate Q, for which D*(Q)=delta0+delta1Q+delta2Q2. The optimal dispersion occurs at a pumping rate of Qopt=sqrt[delta0/delta2]. This explains the interesting "Nike-swoosh" relationship between the peak height and pumping rate. The excellent coherence of theoretical and experimental peak shapes confirms that the temporal distortion effect is the dominating reason to explain the peak asymmetry in flow injection analysis.

Glucose metabolism during rotational shift-work in healthcare workers.

PubMed

Sharma, Anu; Laurenti, Marcello C; Dalla Man, Chiara; Varghese, Ron T; Cobelli, Claudio; Rizza, Robert A; Matveyenko, Aleksey; Vella, Adrian

2017-08-01

Shift-work is associated with circadian rhythm disruption and an increased risk of obesity and type 2 diabetes. We sought to determine the effect of rotational shift-work on glucose metabolism in humans. We studied 12 otherwise healthy nurses performing rotational shift-work using a randomised crossover study design. On each occasion, participants underwent an isotope-labelled mixed meal test during a simulated day shift and a simulated night shift, enabling simultaneous measurement of glucose flux and beta cell function using the oral minimal model. We sought to determine differences in fasting and postprandial glucose metabolism during the day shift vs the night shift. Postprandial glycaemic excursion was higher during the night shift (381±33 vs 580±48 mmol/l per 5 h, p<0.01). The time to peak insulin and C-peptide and nadir glucagon suppression in response to meal ingestion was also delayed during the night shift. While insulin action did not differ between study days, the beta cell responsivity to glucose (59±5 vs 44±4 × 10 -9  min -1 ; p<0.001) and disposition index were decreased during the night shift. Impaired beta cell function during the night shift may result from normal circadian variation, the effect of rotational shift-work or a combination of both. As a consequence, higher postprandial glucose concentrations are observed during the night shift.

Effect of stress, strain and optical properties in vacuum and normal annealed ZnO thin films using RF magnetron sputtering

NASA Astrophysics Data System (ADS)

Kumar, B. Santhosh; Purvaja, K.; Harinee, N.; Venkateswaran, C.

2018-05-01

Zinc oxide thin films have been deposited on quartz substrate using RF magnetron sputtering. The deposited films were subjected to different annealing atmosphere at a fixed temperature of 500 °C for 5h. The X-ray diffraction (XRD) patterns reveals the shift in the peak of both normal annealed and vacuum annealed thin films when compared to as-deposited ZnO film. The crystallite size, intrinsic stress and other parameters were calculated from XRD data. The surface morphology of the obtained films were studied using Atomic force microscopy (AFM). From Uv-Visible spectroscopy, the peak at 374 nm of all the films is characteristics of ZnO. The structural, thermal stability and optical properties of the annealed ZnO films are discussed in detail.

Study the oxidation kinetics of uranium using XRD and Rietveld method

NASA Astrophysics Data System (ADS)

Zhang, Yanzhi; Guan, Weijun; Wang, Qinguo; Wang, Xiaolin; Lai, Xinchun; Shuai, Maobing

2010-03-01

The surface oxidation of uranium metal has been studied by X-ray diffraction (XRD) and Rietveld method in the range of 50~300°C in air. The oxidation processes are analyzed by XRD to determine the extent of surface oxidation and the oxide structure. The dynamics expression for the formation of UO2 was derived. At the beginning, the dynamic expression was nonlinear, but switched to linear subsequently for uranium in air and humid oxygen. That is, the growth kinetics of UO2 can be divided into two stages: nonlinear portion and linear portion. Using the kinetic data of linear portion, the activation energy of reaction between uranium and air was calculated about 46.0 kJ/mol. However the content of oxide as a function of time was linear in humid helium ambience. Contrast the dynamics results, it prove that the absence of oxygen would accelerate the corrosion rate of uranium in the humid gas. We can find that the XRD and Rietveld method are a useful convenient method to estimate the kinetics and thermodynamics of solid-gas reaction.

Effect of annealing temperature on optical properties of binary zinc tin oxide nano-composite prepared by sol-gel route using simple precursors: structural and optical studies by DRS, FT-IR, XRD, FESEM investigations.

PubMed

Habibi, Mohammad Hossein; Mardani, Maryam

2015-02-25

Binary zinc tin oxide nano-composite was synthesized by a facile sol-gel method using simple precursors from the solutions consisting of zinc acetate, tin(IV) chloride and ethanol. Effect of annealing temperature on optical and structural properties was investigated using X-ray diffraction (XRD), diffuse reflectance spectra (DRS), field emission scanning electron microscopy (FESEM) and Fourier transform infrared spectroscopy (FTIR). XRD results revealed the existence of the ZnO and SnO2 phases. FESEM results showed that binary zinc tin oxide nano-composites ranges from 56 to 60 nm in diameter at 400°C and 500°C annealing temperatures respectively. The optical band gap was increased from 2.72 eV to 3.11 eV with the increasing of the annealing temperature. FTIR results confirmed the presence of zinc oxide and tin oxide and the broad absorption peaks at 3426 and 1602 cm(-1) can be ascribed to the vibration of absorptive water, and the absorption peaks at 546, 1038 and 1410 cm(-1) are due to the vibration of Zn-O or Sn-O groups in binary zinc tin oxide. Copyright © 2014 Elsevier B.V. All rights reserved.

Anomalies in the low frequency vibrational density of states for a polymer with intrinsic microporosity - the Boson peak of PIM-1.

PubMed

Zorn, Reiner; Yin, Huajie; Lohstroh, Wiebke; Harrison, Wayne; Budd, Peter M; Pauw, Brian R; Böhning, Martin; Schönhals, Andreas

2018-01-17

Polymers with intrinsic microporosity are promising candidates for the active separation layer in gas separation membranes. Here, the vibrational density of states (VDOS) for PIM-1, the prototypical polymer with intrinsic microporosity, is investigated by means of inelastic neutron scattering. The results are compared to data measured for a more conventional high-performance polyimide used in gas separation membranes (Matrimid). The measured data show the characteristic low frequency excess contribution to VDOS above the Debye sound wave level, generally known as the Boson peak in glass-forming materials. In comparison to the Boson peak of Matrimid, that of PIM-1 is shifted to lower frequencies. This shift is discussed considering the microporous, sponge-like structure of PIM-1 as providing a higher compressibility at the molecular scale than for conventional polymers. For an annealed PIM-1 sample, the Boson peak shifts to higher frequencies in comparison to the un-annealed sample. These changes in the VDOS of the annealed PIM-1 sample are related to changes in the microporous structure as confirmed by X-ray scattering.

Characterization of minerals in air dust particles in the state of Tamilnadu, India through FTIR, XRD and SEM analyses

NASA Astrophysics Data System (ADS)

Senthil Kumar, R.; Rajkumar, P.

2014-11-01

The abstract of this paper explains the presence of minerals in air which causes great concern regarding public health issues. The spectroscopic investigation of air dust particles of several samples in various locations in the state of Tamilnadu, India is reported. Qualitative analyses were carried out to determine the major and minor constituent minerals present in the samples based on the FTIR, XRD absorption peaks. This study also identified the minerals like quartz, asbestos, kaolinite, calcite, hematite, montmorillonite, nacrite and several other trace minerals in the air dust particles. The presents of quartz is mainly found in all the samples invariably. Hence the percentage of quartz and its crystalline nature were determined with the help of extinction co-efficient and crystallinity index respectively. The shape and size of the particulates are studied with SEM analysis.

Use of tourmaline as a potential petrogenetic indicator in the determination of host magma: CRS, XRD and PED-XRF methods

NASA Astrophysics Data System (ADS)

Gullu, Bahattin; Kadioglu, Yusuf Kagan

2017-08-01

Tourmaline defines a group of complex borosilicate forms as accessory mineral in igneous and metamorphic rocks and they act an important role in the interpretation of the chemical composition changes of the composition of the host fluid of the magma. The variety of tourmaline can be identified by using optical microscopy, X-Ray Diffraction (XRD) and by determining its chemical composition through Polarized Energy Dispersive X-Ray Fluorescence (PED-XRF) methods. However, microscopic investigations and XRD analyses are not quite adequate for detailed determination of tourmaline sub-groups. In addition, the use of chemical composition of tourmaline as a strict indicator of geochemical processes might be a misleading method. In this study, variable tourmaline crystals were collected from three different pegmatitic occurrences in Behrekdag, Yozgat and Karakaya granitic bodies of Central Anatolia to identify their chemical properties through Confocal Raman Spectroscopy (CRS), PED-XRF and XRD analyses. The confocal Raman spectrometry of collected tourmalines from the Behrekdag, Yozgat and Karakaya granites are in the compositions of schorl, schorl and elbaite respectively. The dominant compositional groups of these tourmalines are in the form of schorl. Raman shift values of tourmalines revealed four bands centered at almost 1050, 750, 400 and 300 cm- 1. The first group of the band arises from SiO stretching, the second from Bsbnd O stretching and the other two belong to bending modes of Osbnd Bsbnd O and Bsbnd Osbnd Al with symmetrical deformation of Sisbnd Osbnd Si. The strongest spectra near 360 cm- 1 should belong to the bonding of Alsbnd O. As a result, the confocal Raman studies are more sensitive for identification of tourmaline subgroup compositions and have a quite important in the explaining source of the magma.

Use of tourmaline as a potential petrogenetic indicator in the determination of host magma: CRS, XRD and PED-XRF methods.

PubMed

Gullu, Bahattin; Kadioglu, Yusuf Kagan

2017-08-05

Tourmaline defines a group of complex borosilicate forms as accessory mineral in igneous and metamorphic rocks and they act an important role in the interpretation of the chemical composition changes of the composition of the host fluid of the magma. The variety of tourmaline can be identified by using optical microscopy, X-Ray Diffraction (XRD) and by determining its chemical composition through Polarized Energy Dispersive X-Ray Fluorescence (PED-XRF) methods. However, microscopic investigations and XRD analyses are not quite adequate for detailed determination of tourmaline sub-groups. In addition, the use of chemical composition of tourmaline as a strict indicator of geochemical processes might be a misleading method. In this study, variable tourmaline crystals were collected from three different pegmatitic occurrences in Behrekdag, Yozgat and Karakaya granitic bodies of Central Anatolia to identify their chemical properties through Confocal Raman Spectroscopy (CRS), PED-XRF and XRD analyses. The confocal Raman spectrometry of collected tourmalines from the Behrekdag, Yozgat and Karakaya granites are in the compositions of schorl, schorl and elbaite respectively. The dominant compositional groups of these tourmalines are in the form of schorl. Raman shift values of tourmalines revealed four bands centered at almost 1050, 750, 400 and 300cm -1 . The first group of the band arises from SiO stretching, the second from BO stretching and the other two belong to bending modes of OBO and BOAl with symmetrical deformation of SiOSi. The strongest spectra near 360cm -1 should belong to the bonding of AlO. As a result, the confocal Raman studies are more sensitive for identification of tourmaline subgroup compositions and have a quite important in the explaining source of the magma. Copyright © 2017 Elsevier B.V. All rights reserved.

Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.

PubMed

Stevens, Joanna S; Byard, Stephen J; Seaton, Colin C; Sadiq, Ghazala; Davey, Roger J; Schroeder, Sven L M

2014-01-21

The properties of nitrogen centres acting either as hydrogen-bond or Brønsted acceptors in solid molecular acid-base complexes have been probed by N 1s X-ray photoelectron spectroscopy (XPS) as well as (15)N solid-state nuclear magnetic resonance (ssNMR) spectroscopy and are interpreted with reference to local crystallographic structure information provided by X-ray diffraction (XRD). We have previously shown that the strong chemical shift of the N 1s binding energy associated with the protonation of nitrogen centres unequivocally distinguishes protonated (salt) from hydrogen-bonded (co-crystal) nitrogen species. This result is further supported by significant ssNMR shifts to low frequency, which occur with proton transfer from the acid to the base component. Generally, only minor chemical shifts occur upon co-crystal formation, unless a strong hydrogen bond is formed. CASTEP density functional theory (DFT) calculations of (15)N ssNMR isotropic chemical shifts correlate well with the experimental data, confirming that computational predictions of H-bond strengths and associated ssNMR chemical shifts allow the identification of salt and co-crystal structures (NMR crystallography). The excellent agreement between the conclusions drawn by XPS and the combined CASTEP/ssNMR investigations opens up a reliable avenue for local structure characterization in molecular systems even in the absence of crystal structure information, for example for non-crystalline or amorphous matter. The range of 17 different systems investigated in this study demonstrates the generic nature of this approach, which will be applicable to many other molecular materials in organic, physical, and materials chemistry.

Spectroscopic investigations on oxidized multi-walled carbon nanotubes

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

Anandhi, C. M. S.; Premkumar, S.; Asath, R. Mohamed

2016-05-06

The pristine multi-walled carbon nanotubes (MWCNTs) were oxidized by the ultrasonication process. The oxidized MWCNTs were characterized by the X-ray diffraction (XRD), ultraviolet–visible (UV-Vis) and Fourier transform -Raman (FT-Raman) spectroscopic techniques. The XRD analysis confirms that the oxidized MWCNTs exist in a hexagonal structure and the sharp XRD peak corresponds to the (002) Bragg’s reflection plane, which indicates that the MWCNTs have higher crystalline nature. The UV-Vis analysis confirms that the MWCNTs functionalized with the carboxylic acid. The red shift was observed corresponds to the D band in the Raman spectrum, which reveals that the reduced disordered graphitic structure ofmore » oxidized MWCNTs. The strong Raman peak was observed at 2563 cm{sup -1} corresponds to the overtone of the D band, which is the characteristic vibrational mode of oxidized MWCNTs. The carboxylic acid functionalization of MWCNTs enhances the dispersibility, which paves the way for potential applications in the field of biosensors and targeted drug delivery.« less

Impact of temperature-velocity distribution on fusion neutron peak shape

NASA Astrophysics Data System (ADS)

Munro, David

2016-10-01

Doppler broadening of the 14 MeV DT and 2.45 MeV DD fusion neutron lines has long been our best measure of temperature in a burning plasma. At the National Ignition Facility yields are high enough and our neutron spectrometers accurate enough that we see finer details of the peak shape. For example, we can measure the shift of the peak due to bulk motion of the plasma, and we see indications of non-thermal broadening, skew, and kurtosis of the peak caused by the variations of temperature and fluid velocity during burn. We can also distinguish spectral differences among several lines of sight. This talk will review the theory of fusion neutron line shape, show examples of non-Gaussian line shapes and directional variations in NIF data, and describe detailed spectral shapes we see in radhydro implosion simulations. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Advantages of TOF-SIMS analysis of hydroxyapatite and fluorapatite in comparison with XRD, HR-TEM and FT-IR.

PubMed

Okazaki, Masayuki; Hirata, Isao; Matsumoto, Takuya; Takahashi, Junzo

2005-12-01

The chemical analysis of hydroxyapatite and fluorapatite was carried out using time-of-flight secondary ion mass spectrometry (TOF-SIMS). Hydroxyapatite and fluorapatite were synthesized at 80 +/- 1 degrees C and pH 7.4 +/- 0.2. Fluorapatite was better crystallized, with its (300) reflection shifted to a slightly higher angle. High-resolution transmission electron microscopy clearly revealed a typical, regular hexagonal cross section perpendicular to the c-axis for fluorapatite and a flattened hexagonal cross section for hydroxyapatite. FT-IR spectra of fluorapatite confirmed the absence of OH absorption peak--which was seen in hydroxyapatite at about 3570 cm(-1). TOF-SIMS mass spectra showed a peak at 40 amu due to calcium. In addition, a peak at 19 amu due to fluorine could be clearly seen, although the intensities of PO, PO2, and PO3 were very low. It was confirmed that TOF-SIMS clearly showed the differences between positive and negative mass spectra of hydroxyapatite and fluorapatite, especially for F-. We concluded that TOF-SIMS exhibited distinct advantages compared with other methods of analysis.

Cadmium effect on structural properties of Cu{sub 2}Zn{sub 1-x}Cd{sub x}SnS{sub 4} quinternary alloys nanostructures

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

Ibraheam, A. S.; Al-Douri, Y., E-mail: yaldouri@yahoo.com; Hashim, U.

The study report novel sensing plat of extended quinternart materials, Cu{sub 2}Zn{sub 1-x}d{sub x}SnS{sub 4} quinternary alloy nanostructures were fabricated onto oxidized silicon substrate by sol-gel method and characterized were synthesized by X-ray diffraction (XRD). The XRD peaks were shifted towered the lower angle side with increasing cadmium content. The practical size average of the Cu{sub 2}Zn{sub 1-x}d{sub x}SnS{sub 4} quinternary alloy nanostructures between 34.55 to 63.30 nm.

Vibrational spectroscopy of water in hydrated lipid multi-bilayers. II. Two-dimensional infrared and peak shift observables within different theoretical approximations.

PubMed

Gruenbaum, Scott M; Pieniazek, Piotr A; Skinner, J L

2011-10-28

In a previous report, we calculated the infrared absorption spectrum and both the isotropic and anisotropic pump-probe signals for the OD stretch of isotopically dilute water in dilauroylphosphatidylcholine (DLPC) multi-bilayers as a function of the lipid hydration level. These results were then compared to recent experimental measurements and are in generally good agreement. In this paper, we will further investigate the structure and dynamics of hydration water using molecular dynamics simulations and calculations of the two-dimensional infrared and vibrational echo peak shift observables for hydration water in DLPC membranes. These observables have not yet been measured experimentally, but future comparisons may provide insight into spectral diffusion processes and hydration water heterogeneity. We find that at low hydration levels the motion of water molecules inside the lipid membrane is significantly arrested, resulting in very slow spectral diffusion. At higher hydration levels, spectral diffusion is more rapid, but still slower than in bulk water. We also investigate the effects of several common approximations on the calculation of spectroscopic observables by computing these observables within multiple levels of theory. The impact of these approximations on the resulting spectra affects our interpretation of these measurements and reveals that, for example, the cumulant approximation, which may be valid for certain systems, is not a good approximation for a highly heterogeneous environment such as hydration water in lipid multi-bilayers.

[A peak recognition algorithm designed for chromatographic peaks of transformer oil].

PubMed

Ou, Linjun; Cao, Jian

2014-09-01

In the field of the chromatographic peak identification of the transformer oil, the traditional first-order derivative requires slope threshold to achieve peak identification. In terms of its shortcomings of low automation and easy distortion, the first-order derivative method was improved by applying the moving average iterative method and the normalized analysis techniques to identify the peaks. Accurate identification of the chromatographic peaks was realized through using multiple iterations of the moving average of signal curves and square wave curves to determine the optimal value of the normalized peak identification parameters, combined with the absolute peak retention times and peak window. The experimental results show that this algorithm can accurately identify the peaks and is not sensitive to the noise, the chromatographic peak width or the peak shape changes. It has strong adaptability to meet the on-site requirements of online monitoring devices of dissolved gases in transformer oil.

Association between exposure to rotating night shift versus day shift using levels of 6-sulfatoxymelatonin and cortisol and other sex hormones in women.

PubMed

Gómez-Acebo, Inés; Dierssen-Sotos, Trinidad; Papantoniou, Kyriaki; García-Unzueta, María Teresa; Santos-Benito, María Francisca; Llorca, Javier

2015-02-01

The present study aims to compare 6-sulfatoxymelatonin (aMT6s) secretion patterns and levels of cortisol and sex hormones (estradiol, progesterone, DHEA, DHEAS, and testosterone) among rotating night-shift workers and day-shift workers. We performed a cross-sectional study in Cantabria (northern Spain) including 136 women (73 day-shift workers and 63 rotating night-shift workers). Blood and urine samples were obtained after two consecutive working days. Differences in means were estimated using ANCOVA, stratified by menopausal status, ovulation phase, and adjusted for season, age, body mass index, consumption of cigarettes in the last 24 h. aMT6s circadian rhythm was analyzed using the cosinor analysis. The present study showed that rotating night-shift workers had lower excretion of aMT6s than day-shift workers (mesor = 50.26 ng aMT6s/mg creatinine in women with rotating night shift versus 88.79 ng aMT6s/mg creatinine in women with day shift), lower fluctuation (amplitude = 45.24 ng aMT6s/mg creatinine in rotating night-shift workers versus 79.71 ng aMT6s/mg creatinine in day-shift workers), and a later acrophase (aMT6s peak time: 08:31 in rotating night-shift workers versus 07:13 h in day-shift workers). Additionally, women with rotating night shift had higher estradiol and progesterone levels, compared to day workers, especially in the follicular phase on the menstrual cycle.

[Study of the phase transformation of TiO2 with in-situ XRD in different gas].

PubMed

Ma, Li-Jing; Guo, Lie-Jin

2011-04-01

TiO2 sample was prepared by sol-gel method from chloride titanium. The phase transformation of the prepared TiO2 sample was studied by in-situ XRD and normal XRD in different gas. The experimental results showed that the phase transformation temperatures of TiO2 were different under in-situ or normal XRD in different kinds of gas. The transformation of amorphous TiO2 to anatase was controlled by kinetics before 500 degrees C. In-situ XRD showed that the growth of anatase was inhibited, but the transformation of anatase to rutile was accelerated under inactive nitrogen in contrast to air. Also better crystal was obtained under hydrogen than in argon. These all showed that external oxygen might accelerate the growth of TiO2, but reduced gas might partly counteract the negative influence of lack of external oxygen. The mechanism of phase transformation of TiO2 was studied by in-situ XRD in order to control the structure in situ.

Characterizing the Phyllosilicates and Amorphous Phases Found by MSL Using Laboratory XRD and EGA Measurements of Natural and Synthetic Materials

NASA Technical Reports Server (NTRS)

Rampe, Elizabeth B.; Morris, Richard V.; Chipera, Steve; Bish, David L.; Bristow, Thomas; Archer, Paul Douglas; Blake, David; Achilles, Cherie; Ming, Douglas W.; Vaniman, David;

The role of fission on neutron star mergers and its impact on the r-process peaks

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

Eichler, M., E-mail: marius.eichler@unibas.ch; Thielemann, F.-K.; Arcones, A.

2016-06-21

The comparison between observational abundance features and those obtained from nucleosynthesis predictions of stellar evolution and/or explosion simulations can scrutinize two aspects: (a) the conditions in the astrophysical production site and (b) the quality of the nuclear physics input utilized. Here we test the abundance features of r-process nucleosynthesis calculations using four different fission fragment distribution models. Furthermore, we explore the origin of a shift in the third r-process peak position in comparison with the solar r-process abundances which has been noticed in a number of merger nucleosynthesis predictions. We show that this shift occurs during the r-process freeze-out whenmore » neutron captures and β-decays compete and an (n,γ)-(γ,n) equilibrium is not maintained anymore. During this phase neutrons originate mainly from fission of material above A = 240. We also investigate the role of β-decay half-lives from recent theoretical advances, which lead either to a smaller amount of fissioning nuclei during freeze-out or a faster (and thus earlier) release of fission neutrons, which can (partially) prevent this shift and has an impact on the second and rare-earth peak as well.« less

Fatigue affects peak joint torque angle in hamstrings but not in quadriceps.

PubMed

Coratella, Giuseppe; Bellin, Giuseppe; Beato, Marco; Schena, Federico

2015-01-01

Primary aim of this study was to investigate peak joint torque angle (i.e. the angle of peak torque) changes recorded during an isokinetic test before and after a fatiguing soccer match simulation. Secondarily we want to investigate functional Hecc:Qconc and conventional Hconc:Qconc ratio changes due to fatigue. Before and after a standardised soccer match simulation, twenty-two healthy male amateur soccer players performed maximal isokinetic strength tests both for hamstrings and for quadriceps muscles at 1.05 rad · s(‒1), 3.14 rad · s(‒1) and 5.24 rad · s(‒1). Peak joint torque angle, peak torque and both functional Hecc:Qconc and conventional Hconc:Qconc ratios were examined. Both dominant and non-dominant limbs were tested. Peak joint torque angle significantly increased only in knee flexors. Both eccentric and concentric contractions resulted in such increment, which occurred in both limbs. No changes were found in quadriceps peak joint torque angle. Participants experienced a significant decrease in torque both in hamstrings and in quadriceps. Functional Hecc:Qconc ratio was lower only in dominant limb at higher velocities, while Hconc:Qconc did not change. This study showed after specific fatiguing task changes in hamstrings only torque/angle relationship. Hamstrings injury risk could depend on altered torque when knee is close to extension, coupled with a greater peak torque decrement compared to quadriceps. These results suggest the use eccentric based training to prevent hamstrings shift towards shorter length.

Chemical Species, Micromorphology, and XRD Fingerprint Analysis of Tibetan Medicine Zuotai Containing Mercury

PubMed Central

Li, Cen; Yang, Hongxia; Xiao, Yuancan; Zhandui; Sanglao; Wang, Zhang; Ladan, Duojie; Bi, Hongtao

2016-01-01

Zuotai (gTso thal) is one of the famous drugs containing mercury in Tibetan medicine. However, little is known about the chemical substance basis of its pharmacodynamics and the intrinsic link of different samples sources so far. Given this, energy dispersive spectrometry of X-ray (EDX), scanning electron microscopy (SEM), atomic force microscopy (AFM), and powder X-ray diffraction (XRD) were used to assay the elements, micromorphology, and phase composition of nine Zuotai samples from different regions, respectively; the XRD fingerprint features of Zuotai were analyzed by multivariate statistical analysis. EDX result shows that Zuotai contains Hg, S, O, Fe, Al, Cu, and other elements. SEM and AFM observations suggest that Zuotai is a kind of ancient nanodrug. Its particles are mainly in the range of 100–800 nm, which commonly further aggregate into 1–30 μm loosely amorphous particles. XRD test shows that β-HgS, S8, and α-HgS are its main phase compositions. XRD fingerprint analysis indicates that the similarity degrees of nine samples are very high, and the results of multivariate statistical analysis are broadly consistent with sample sources. The present research has revealed the physicochemical characteristics of Zuotai, and it would play a positive role in interpreting this mysterious Tibetan drug. PMID:27738409

Chemical Species, Micromorphology, and XRD Fingerprint Analysis of Tibetan Medicine Zuotai Containing Mercury.

PubMed

Li, Cen; Yang, Hongxia; Du, Yuzhi; Xiao, Yuancan; Zhandui; Sanglao; Wang, Zhang; Ladan, Duojie; Bi, Hongtao; Wei, Lixin

2016-01-01

Zuotai ( gTso thal ) is one of the famous drugs containing mercury in Tibetan medicine. However, little is known about the chemical substance basis of its pharmacodynamics and the intrinsic link of different samples sources so far. Given this, energy dispersive spectrometry of X-ray (EDX), scanning electron microscopy (SEM), atomic force microscopy (AFM), and powder X-ray diffraction (XRD) were used to assay the elements, micromorphology, and phase composition of nine Zuotai samples from different regions, respectively; the XRD fingerprint features of Zuotai were analyzed by multivariate statistical analysis. EDX result shows that Zuotai contains Hg, S, O, Fe, Al, Cu, and other elements. SEM and AFM observations suggest that Zuotai is a kind of ancient nanodrug. Its particles are mainly in the range of 100-800 nm, which commonly further aggregate into 1-30  μ m loosely amorphous particles. XRD test shows that β -HgS, S 8 , and α -HgS are its main phase compositions. XRD fingerprint analysis indicates that the similarity degrees of nine samples are very high, and the results of multivariate statistical analysis are broadly consistent with sample sources. The present research has revealed the physicochemical characteristics of Zuotai , and it would play a positive role in interpreting this mysterious Tibetan drug.

A.C. impedance, XRD, DSC, SEM and charge/discharge studies on Al2O3, TiO2, SiO2 dispersoid LiPF6/PVC/PVdF-co-HFP composite polymer electrolytes by phase inversion

NASA Astrophysics Data System (ADS)

Vickraman, P.; Gopukumar, S.

2017-07-01

The PVC/PVdF-co-HFP composite polymer electrolyte membranes (CPEMs) by varying blend ratios 1:1, 1:2, and 2:1 with fixed content of Al2O3, TiO2 and SiO2 having soaked in 0.5 M LiPF6 in EC/DEC (1:1) v/v) have been prepared by phase inversion. CPEMs of higher ionic conductivity (not dependent on electrolyte uptake as observed in our study) ASA4 (3.61×10-4 Scm-1), TSA3 (1.53×10-4 Scm-1), and SSA3 (4.81×10-4 Scm-1) have been only chosen for XRD, DSC, SEM and electrochemical studies. In XRD, crystalline peaks (phases) of PVdF have been noted with/without change in intensity as well as FWHM which correspond to type of filler interaction with host matrix. In DSC, it is observed that shifts in baseline, melting endotherms, and area under the endotherms indicating the thermal hist ory of PVC (Tg = 82 ° C) and melting of VdF crystallites varied with nature of the filler dispersoid. In SEM, the coagulated fibrils of the polymer coiled with the sponge like structure has been mapped. The charge/discharge studies are carried out on these CPEMs at C/10 rate in the voltage range 2.8 V - 4.2 V, and it is noted that the TSA3 showed better cycling performance with good capacity retention i.e., 50 cycles with 66% capacity retention than ASA4 of 28 cycles with 65% and SSA3 of 5 cycles with 56%. In the present study Coulombic efficiency is concerned only for first cycle and it is noted that the TSA3 showed 71% than 66% and 62% respectively for SSA3 and ASA4.

Effect of chronic liraglutide therapy and its withdrawal on time to postchallenge peak glucose in type 2 diabetes.

PubMed

Tran, Susan; Kramer, Caroline K; Zinman, Bernard; Choi, Haysook; Retnakaran, Ravi

2018-03-01

Delayed timing of peak serum glucose following an oral glucose challenge can predict declining β-cell function and worsening glucose tolerance over time. Accordingly, postchallenge peak glucose is typically delayed in patients with type 2 diabetes (T2DM). However, little is known about the capacity of antidiabetic medications to reverse this delay. Thus, we sought to evaluate the effect of the glucagon-like peptide-1 agonist liraglutide on time to peak glucose in early T2DM. In this secondary analysis of a double-blind placebo-controlled trial, 51 patients with T2DM of 2.6 ± 1.9 yr duration were randomized to daily subcutaneous liraglutide or placebo injection for 48 wk, with oral glucose tolerance test (OGTT) performed every 12 wk while on therapy and after a 2-wk washout. On each OGTT, time to peak glucose was determined from venous glucose measurements at 0, 10, 20, 30, 60, 90, and 120 min. At randomization, most patients in both arms exhibited peak glucose at 90 min postchallenge. By 12 wk, 65.4% of the liraglutide arm had shifted to an earlier peak (vs. 36% on placebo; P = 0.19), with little change thereafter at 24, 36, and 48 wk. After the 2-wk washout, however, 57.7% of those who had been on liraglutide reverted to a later peak (vs. 4.5% on placebo; P < 0.001). This shift was associated with declining β-cell function ( P = 0.001), resulting in higher 2-h blood glucose at washout in the liraglutide arm compared with placebo ( P = 0.001). Thus, although liraglutide possibly might improve the delay in peak glucose, its cessation yielded a worsening thereof and higher glycemia. The mechanisms underlying these observations and their clinical implications warrant further investigation.

PeakRanger: A cloud-enabled peak caller for ChIP-seq data

PubMed Central

2011-01-01

Background Chromatin immunoprecipitation (ChIP), coupled with massively parallel short-read sequencing (seq) is used to probe chromatin dynamics. Although there are many algorithms to call peaks from ChIP-seq datasets, most are tuned either to handle punctate sites, such as transcriptional factor binding sites, or broad regions, such as histone modification marks; few can do both. Other algorithms are limited in their configurability, performance on large data sets, and ability to distinguish closely-spaced peaks. Results In this paper, we introduce PeakRanger, a peak caller software package that works equally well on punctate and broad sites, can resolve closely-spaced peaks, has excellent performance, and is easily customized. In addition, PeakRanger can be run in a parallel cloud computing environment to obtain extremely high performance on very large data sets. We present a series of benchmarks to evaluate PeakRanger against 10 other peak callers, and demonstrate the performance of PeakRanger on both real and synthetic data sets. We also present real world usages of PeakRanger, including peak-calling in the modENCODE project. Conclusions Compared to other peak callers tested, PeakRanger offers improved resolution in distinguishing extremely closely-spaced peaks. PeakRanger has above-average spatial accuracy in terms of identifying the precise location of binding events. PeakRanger also has excellent sensitivity and specificity in all benchmarks evaluated. In addition, PeakRanger offers significant improvements in run time when running on a single processor system, and very marked improvements when allowed to take advantage of the MapReduce parallel environment offered by a cloud computing resource. PeakRanger can be downloaded at the official site of modENCODE project: http://www.modencode.org/software/ranger/ PMID:21554709

Gold nanoparticles generated through "green route" bind Hg2+ with a concomitant blue shift in plasmon absorption peak.

PubMed

Radhakumary, C; Sreenivasan, K

2011-07-21

We discuss here a quick, simple, economic and ecofriendly method through a completely green route for the selective detection of Hg(2+) in aqueous samples. Here we exploited the ability of chitosan to generate gold nanoparticles and subsequently to act as a stabilizer for the formed nanoparticles. When chitosan stabilized gold nanoparticles (CH-Au NPs) are interacted with Hg(2+) a blue shift for its localized surface plasmon resonance absorbance (LSPR) band is observed. The blue shift is reasoned to be due to the formation of a thin layer of mercury over gold. A concentration as low as 0.01 ppm to a maximum of 100 ppm Hg(2+) can be detected based on this blue shift of the CH-Au NPs. While all other reported methods demand complex reaction steps and costly chemicals, the method we reported here is a simple, rapid and selective approach for the detection of Hg(2+). Our results also show that the CH-Au NPs have excellent selectivity to Hg(2+) over common cations namely, Pb(2+), Cd(2+), Mn(2+), Fe(2+), Ag(1+), Ce(4+), Ni(2+), and Cu(2+).

Nonlinear dependence of X-ray diffraction peak broadening in In x Ga1‑ x Sb epitaxial layers on GaAs substrates

NASA Astrophysics Data System (ADS)

Hoang Huynh, Sa; Ha, Minh Thien Huu; Binh Do, Huy; Nguyen, Tuan Anh; Luc, Quang Ho; Chang, Edward Yi

2018-04-01

The configuration of the interfacial misfit array at In x Ga1‑ x Sb/GaAs interfaces with different indium compositions and thicknesses grown by metalorganic chemical vapor deposition was systematically analyzed using X-ray diffraction (XRD) reciprocal space maps (RSMs). These analyses confirmed that the epilayer relaxation was mainly contributed to by the high degree of spatial correlation of the 90° misfit array (correlation factors <0.01). The anisotropic peak-broadening aspect ratio was found to have a non-linear composition dependence as well as be thickness-dependent, related to the strain relaxation of the epilayer. However, the peak-broadening behavior in each RSM scan direction had different composition and thickness dependences.

Effect of pH on the structural, optical and morphological properties of Ga-doped ZnO nanoparticles by reflux precipitation method

NASA Astrophysics Data System (ADS)

Ungula, J.; Dejene, B. F.; Swart, H. C.

2018-04-01

Gallium-doped zinc oxide nanoparticles (GZO NPs) were synthesized by the reflux precipitation method at 1, 3, 5, 7 and 8 pH conditions of Ga/Zn precursor solution (Ga/Zn sol.). Analysis of X-ray diffraction (XRD) spectra showed that the diffraction peak intensities of GZO NPs increased and the crystallite sizes varied from 11 to 27 nm with an increase in the pH of the Zn/Ga sol. Scanning electron microscopy micrographs showed agglomerated tiny particles that formed on big slabs of nanorods at the lower pH, but fine and enlarged particles on nano-spherical bases formed at the higher pH values. The photoluminescence exciton peak intensities of the GZO NPs and their respective FWHM increased to a maximum at the 5 pH and then reduced slightly as the solution got more basic. The increase of the deep level peak intensities with the increase in the pH followed the XRD diffraction intensity results. It was observed that both the exciton and DLE peaks emission positions shifted to lower wavelengths up to the 5 pH and then red shifted for a further increase in the pH values. The UV-vis analysis also demonstrated that the optical properties of the GZO NPs improved with the increase Ga/Zn sol. pH, as shown by the blue shift of the absorption edge of the reflectance spectra. The band gap energy was tuned from 3.18 to 3.31 eV with the increase in the pH from 1 to 5. An additional increase in the pH yielded no significant change in the optical properties of the GZO NPs.

X-ray Photoelectron Spectroscopy study of CaV1-xMoxO3-δ

NASA Astrophysics Data System (ADS)

Belyakov, S. A.; Kuznetsov, M. V.; Shkerin, S. N.

2018-06-01

An investigation was carried out on perovskite-based derivatives of CaV1-xMoxO3-δ using X-ray Photoelectron Spectroscopy (XPS). According to the XRD pattern, the area of homogeneity covers the region from x = 0 to x = 0.6. Wide XPS-peaks of Ca, V, Mo and O are observed, signalling that elements are presented in multiple states. A model for explaining the large chemical shifts of XPS peaks due to different charging effects on different parts of the sample surface is proposed.

Preparation, characterization, dielectric properties and diffusion studies of styrene butadiene rubber (SBR)/manganous tungstate (MnWO4) nanocomposites

NASA Astrophysics Data System (ADS)

Jasna, V. C.; Ramesan, M. T.

2017-06-01

Nanocomposites based on SBR with different content of manganous tungstate nanoparticles were prepared and characterized by FTIR, UV-visible spectroscopy, XRD, SEM, TGA, DSC and impedance analysis. The interaction between nanoparticles and the elastomer was clear from the shift in peaks of UV and FTIR. XRD and SEM analysis showed the uniform arrangement of nanoparticles in SBR matrix. Glass transition temperature, thermal stability and dielectric properties of composites were enhanced by the addition of nanoparticles. Sorption studies of nanocomposites were done in aromatic solvents at different temperature. Sorption data obtained were used to estimate the thermodynamic properties.

Application of Mythen detector: In-situ XRD study on the thermal expansion behavior of metal indium

NASA Astrophysics Data System (ADS)

Du, Rong; Chen, ZhongJun; Cai, Quan; Fu, JianLong; Gong, Yu; Wu, ZhongHua

2016-07-01

A Mythen detector has been equipped at the beamline 4B9A of Beijing Synchrotron Radiation Facility (BSRF), which is expected to enable BSRF to perform time-resolved measurement of X-ray diffraction (XRD) full-profiles. In this paper, the thermal expansion behavior of metal indium has been studied by using the in-situ XRD technique with the Mythen detector. The indium was heated from 303 to 433 K with a heating rate of 2 K/min. The in-situ XRD full-profiles were collected with a rate of one profile per 10 seconds. Rietveld refinement was used to extract the structural parameters. The results demonstrate that these collected quasi-real-time XRD profiles can be well used for structural analysis. The metal indium was found to have a nonlinear thermal expansion behavior from room temperature to the melting point (429.65 K). The a-axis of the tetragonal unit cell expands with a biquadratic dependency on temperature, while the c-axis contracts with a cubic dependency on temperature. By the time-resolved XRD measurements, it was observed that the [200] preferred orientation can maintain to about 403.15 K. While (110) is the last and detectable crystal plane just before melting of the polycrystalline indium foil. This study is not only beneficial to the application of metal indium, but also exhibits the capacity of in-situ time-resolved XRD measurements at the X-ray diffraction station of BSRF.

Evaluating the traditional day and night shift in an acute care surgery fellowship: Is the swing shift a better choice?

PubMed

Chestovich, Paul J; McNicoll, Christopher F; Ingalls, Nichole K; Kuhls, Deborah A; Fraser, Douglas R; Morrissey, Shawna L; Fildes, John J

2018-01-01

Fellowship trainees in acute care surgery require experience in the management of complex and operative trauma cases. Trauma center staffing usually follows standard 12-hour or 24-hour shifts, with resident and fellow trainees following a similar schedule. Although trauma admissions can be generally unpredictable, we analyzed temporal trends of trauma patient arrival times to determine the best time frame to maximize trainee experience during each day. We reviewed 10 years (2007-2016) of trauma registry data for blunt and penetrating trauma activations. Hourly volumetric trends were observed, and three specific events were chosen for detailed analysis: (1) trauma activation with Injury Severity Score (ISS) greater than 15, (2) laparotomy for trauma, and (3) thoracotomy for trauma. A retrospective shift log was created, which included day (7:00 AM to 7:00 PM), night (7:00 PM to 7:00 AM), and swing (noon to midnight) shifts. A swing shift was chosen because it captures the peak volume for all three events. Means and 95% confidence intervals were calculated, and comparisons were made between shifts using the Wilcoxon matched-pairs signed rank test with Bonferroni correction, and p less than 0.05 considered significant. During the 10-year study period, 28,287 patients were treated at our trauma center. This included the evaluation and management of 7,874 patients with ISS greater than 15, performance of 1,766 laparotomies, and 392 thoracotomies for trauma. Swing shift was superior to both day and night shifts for ISS greater than 15 (p < 0.001). Both swing and night shifts were superior to day shift for laparotomies (p < 0.001). Swing shift was superior to both day shift (p < 0.001) and night shift (p = 0.031). Shifts with the highest yield of ISS greater than 15, laparotomies, and thoracotomies include night and swing shifts on Fridays and Saturdays. Projected experience of acute care surgery fellows in managing complex trauma patients increases with the integration

Response Time Measurements of the NIF DANTE XRD-31 X-Ray Diodes (Pre-print)

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

Don Pellinen and Michael Griffin

2009-01-23

The XRD-31 is a fast, windowless X-ray vacuum photodiode developed by EG&G. It is currently the primary fast X-ray detector used to diagnose the X-rays on NIF and OMEGA on the multichannel DANTE spectrometer. The XRD-31 has a dynamic range of less than 1e-12 amps to more than 10 amps. A technique is described to measure the impulse response of the diodes to a 150 fs pulse of 200 nm laser light and a method to calculate the “risetime” for a square pulse and compare it with the computed electron transit time from the photocathode to the anode. Measured responsemore » time for 5 XRD-31s assembled in early 2004 was 149.7 ps +-2.75 ps.« less

Fronto-striatal contribution to lexical set-shifting.

PubMed

Simard, France; Joanette, Yves; Petrides, Michael; Jubault, Thomas; Madjar, Cécile; Monchi, Oury

2011-05-01

Fronto-striatal circuits in set-shifting have been examined in neuroimaging studies using the Wisconsin Card Sorting Task (WCST) that requires changing the classification rule for cards containing visual stimuli that differ in color, shape, and number. The present study examined whether this fronto-striatal contribution to the planning and execution of set-shifts is similar in a modified sorting task in which lexical rules are applied to word stimuli. Young healthy adults were scanned with functional magnetic resonance imaging while performing the newly developed lexical version of the WCST: the Wisconsin Word Sorting Task. Significant activation was found in a cortico-striatal loop that includes area 47/12 of the ventrolateral prefrontal cortex (PFC), and the caudate nucleus during the planning of a set-shift, and in another that includes the posterior PFC and the putamen during the execution of a set-shift. However, in the present lexical task, additional activation peaks were observed in area 45 of the ventrolateral PFC area during both matching periods. These results provide evidence that the functional contributions of the various fronto-striatal loops are not dependent on the modality of the information to be manipulated but rather on the specific executive processes required.

Evaluation of Rock Powdering Methods to Obtain Fine-grained Samples for CHEMIN, a Combined XRD/XRF Instrument

NASA Technical Reports Server (NTRS)

Chipera, S. J.; Vaniman, D. T.; Bish, D. L.; Sarrazin, P.; Feldman, S.; Blake, D. F.; Bearman, G.; Bar-Cohen, Y.

2004-01-01

A miniature XRD/XRF (X-ray diffraction / X-ray fluorescence) instrument, CHEMIN, is currently being developed for definitive mineralogic analysis of soils and rocks on Mars. One of the technical issues that must be addressed to enable remote XRD analysis is how best to obtain a representative sample powder for analysis. For powder XRD analyses, it is beneficial to have a fine-grained sample to reduce preferred orientation effects and to provide a statistically significant number of crystallites to the X-ray beam. Although a two-dimensional detector as used in the CHEMIN instrument will produce good results even with poorly prepared powder, the quality of the data will improve and the time required for data collection will be reduced if the sample is fine-grained and randomly oriented. A variety of methods have been proposed for XRD sample preparation. Chipera et al. presented grain size distributions and XRD results from powders generated with an Ultrasonic/Sonic Driller/Corer (USDC) currently being developed at JPL. The USDC was shown to be an effective instrument for sampling rock to produce powder suitable for XRD. In this paper, we compare powder prepared using the USDC with powder obtained with a miniaturized rock crusher developed at JPL and with powder obtained with a rotary tungsten carbide bit to powders obtained from a laboratory bench-scale Retsch mill (provides benchmark mineralogical data). These comparisons will allow assessment of the suitability of these methods for analysis by an XRD/XRF instrument such as CHEMIN.

Franck Condon shift assessment in 2D MoS2

NASA Astrophysics Data System (ADS)

Gupta, Sunny; Shirodkar, Sharmila N.; Kaplan, Daniel; Swaminathan, Venkataraman; Yakobson, Boris I.

2018-03-01

Optical spectroscopy (OS) techniques are often coupled with first-principles density functional theoretical (DFT) calculations for determining the precise influence of defects on the electronic and structural properties of two-dimensional (2D) transition metal dichalcogenides. Such calculations are carried out presuming there is little or no effect of vibrational transitions on the observed electronic spectrum. However, if the effect of change in vibrational energy (Franck Condon (FC) shift) associated with such a transition is large, it could possibly lead to a different origin for the observed peak. One such instance is the attribution of the 0.75 eV cathodoluminescence peak by Fabbri et al (2016 Nat. Commun. 7 13044) to an optical transition from an S vacancy level in the band gap, under the assumption that the FC shift is negligible. Here, by first principles constrained DFT calculations using hybrid HSE06 functional we show that this combined prediction of OS and DFT calculations is valid for 2D MoS2 since the FC shift associated with electronic transitions from a sulfur vacancy is indeed small ~28 meV. Based on our calculations we conclude that it is reasonable to make a direct connection between DFT calculations and optical spectroscopy techniques in this material, hence, establishing a one to one relation between defect related emission bands and electronic transitions from the defect levels.

Robust phase-shifting interferometry resistant to multiple disturbances

NASA Astrophysics Data System (ADS)

Liu, Qian; Yue, Xiaobin; Li, Lulu; Zhang, Hui; He, Jianguo

2018-04-01

Phase-shifting interferometry (PSI) is sensitive to many disturbances, including the environmental vibration, laser instability, phase-shifting error and camera nonlinearity. A robust PSI (RPSI) based on the temporal spectrum analysis is proposed to suppress the effects of these common disturbances. RPSI retrieves wavefront phase from the temporal Fourier spectrum peak, which is identified by detecting the modulus of spectrum, and a referencing method is presented to improve the phase extracting accuracy. Simulations demonstrate the feasibility and effectiveness of RPSI. Experimental results indicate that RPSI is resistant to common disturbances in implementing PSI and achieves accuracy better than 0.03 rad in the disturbed environment. RPSI relaxes requirements on the hardware, environment and operator, and provides an easy-to-use design of an interferometer.

Brain cancer probed by native fluorescence and stokes shift spectroscopy

NASA Astrophysics Data System (ADS)

Zhou, Yan; Liu, Cheng-hui; He, Yong; Pu, Yang; Li, Qingbo; Wang, Wei; Alfano, Robert R.

2012-12-01

Optical biopsy spectroscopy was applied to diagnosis human brain cancer in vitro. The spectra of native fluorescence, Stokes shift and excitation spectra were obtained from malignant meningioma, benign, normal meningeal tissues and acoustic neuroma benign tissues. The wide excitation wavelength ranges were used to establish the criterion for distinguishing brain diseases. The alteration of fluorescence spectra between normal and abnormal brain tissues were identified by the characteristic fluorophores under the excitation with UV to visible wavelength range. It was found that the ratios of the peak intensities and peak position in both spectra of fluorescence and Stokes shift may be used to diagnose human brain meninges diseases. The preliminary analysis of fluorescence spectral data from cancer and normal meningeal tissues by basic biochemical component analysis model (BBCA) and Bayes classification model based on statistical methods revealed the changes of components, and classified the difference between cancer and normal human brain meningeal tissues in a predictions accuracy rate is 0.93 in comparison with histopathology and immunohistochemistry reports (gold standard).

Exciton diamagnetic shift and optical properties in CdSe nanocrystal quantum dots in magnetic fields

NASA Astrophysics Data System (ADS)

Wu, Shudong; Cheng, Liwen

2018-04-01

The magnetic field dependence of the optical properties of CdSe nanocrystal quantum dots (NQDs) is investigated theoretically using a perturbation method within the effective-mass approximation. The results show that the magnetic field lifts the degeneracy of the electron (hole) states. A blue-shift in the absorption spectra of m ≥ 0 exciton states is observed while the absorption peak of m < 0 exciton states is first red-shifted and then blue-shifted with increasing the magnetic field strength B. This is attributed to the interplay of the orbital Zeeman effect and the additive confinement induced by the magnetic field. The excitonic absorption coefficient is almost independent of B in the strong confinement regime. The applied magnetic field causes the splitting of degenerated exciton states, resulting in the new absorption peaks. Based on the first-order perturbation theory, we propose the analytical expressions for the exciton binding energy, exciton transition energy and exciton diamagnetic shift of 1s, 1p-1, 1p0, 1p1, 1d-2, 1d-1, 1d0, 1d1, 1d2 and 2s exciton states on the applied magnetic field in the strong confinement regime.

Definitive Mineralogical Analysis of Mars Analog Rocks Using the CheMin XRD/XRF Instrument

NASA Technical Reports Server (NTRS)

Blake, D. F.; Sarrazin, P.; Bish, D. L.; Feldman, S.; Chipera, S. J.; Vaniman, D. T.; Collins, S.

2004-01-01

Mineral identification is a critical component of Mars Astrobiological missions. Chemical or elemental data alone are not definitive because a single elemental or chemical composition or even a single bonding type can represent a range of substances or mineral assemblages. Minerals are defined as unique structural and compositional phases that occur naturally. There are about 15,000 minerals that have been described on Earth, all uniquely identifiable via diffraction methods. There are likely many minerals yet undiscovered on Earth, and likewise on Mars. If an unknown phase is identified on Mars, it can be fully characterized by structural (X-ray Diffraction, XRD) and elemental analysis (X-ray Fluorescence, XRF) without recourse to other data because XRD relies on the principles of atomic arrangement for its determinations. XRD is the principal means of identification and characterization of minerals on Earth.

Learning-Related Shifts in Generalization Gradients for Complex Sounds

PubMed Central

Wisniewski, Matthew G.; Church, Barbara A.; Mercado, Eduardo

2010-01-01

Learning to discriminate stimuli can alter how one distinguishes related stimuli. For instance, training an individual to differentiate between two stimuli along a single dimension can alter how that individual generalizes learned responses. In this study, we examined the persistence of shifts in generalization gradients after training with sounds. University students were trained to differentiate two sounds that varied along a complex acoustic dimension. Students subsequently were tested on their ability to recognize a sound they experienced during training when it was presented among several novel sounds varying along this same dimension. Peak shift was observed in Experiment 1 when generalization tests immediately followed training, and in Experiment 2 when tests were delayed by 24 hours. These findings further support the universality of generalization processes across species, modalities, and levels of stimulus complexity. They also raise new questions about the mechanisms underlying learning-related shifts in generalization gradients. PMID:19815929

Investigation on Structural and Optical Properties of Copper Telluride Thin Films with Different Annealing Temperature

NASA Astrophysics Data System (ADS)

Nishanthini, R.; Muthu Menaka, M.; Pandi, P.; Bahavan Palani, P.; Neyvasagam, K.

The copper telluride (Cu2Te) thin film of thickness 240nm was coated on a microscopic glass substrate by thermal evaporation technique. The prepared films were annealed at 150∘C and 250∘C for 1h. The annealing effect on Cu2Te thin films was examined with different characterization methods like X-ray Diffraction Spectroscopy (XRD), Scanning Electron Microscopy (SEM), Ultra Violet-Visible Spectroscopy (UV-VIS) and Photoluminescence (PL) Spectroscopy. The peak intensities of XRD spectra were increased while increasing annealing temperature from 150∘C to 250∘C. The improved crystallinity of the thin films was revealed. However, the prepared films are exposed complex structure with better compatibility. Moreover, the shift in band gap energy towards higher energies (blue shift) with increasing annealing temperature is observed from the optical studies.

Effect of controlling recrystallization from the melt on the residual stress and structural properties of the Silica-clad Ge core fiber

NASA Astrophysics Data System (ADS)

Zhao, Ziwen; Cheng, Xueli; He, Ting; Xue, Fei; Zhang, Wei; Chen, Na; Wen, Jianxiang; Zeng, Xianglong; Wang, Tingyun

2017-09-01

Effect of controlling recrystallization from the melt (1000 °C) on the residual stress and structural properties of a Ge core fiber via molten core drawing (MCD) method is investigated. Ge core fibers is investigated using Raman spectroscopy, scanning electron microscope (SEM), and X-ray diffraction (XRD). Compared with the as-drawn Ge fiber, the Raman peak of the recrystallized Ge fiber shift from 300 cm-1 to 300.6 cm-1 and full width at half maximum (FWHM) decreased from 5.36 cm-1 to 4.48 cm-1. The Ge crystal grains which sizes are of 200-600 nm were formed during the process of recrystallization; the XRD peak of (1 1 1) plane is observed after recrystallization. These results show that controlling recrystallization allows the release of the thermal stress, and improvement of the crystal quality of Ge core.

Formation of silicon nanocrystals in sapphire by ion implantation and the origin of visible photoluminescence

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

Yerci, S.; Serincan, U.; Dogan, I.

2006-10-01

Silicon nanocrystals, average sizes ranging between 3 and 7 nm, were formed in sapphire matrix by ion implantation and subsequent annealing. Evolution of the nanocrystals was detected by Raman spectroscopy and x-ray diffraction (XRD). Raman spectra display that clusters in the matrix start to form nanocrystalline structures at annealing temperatures as low as 800 deg. C in samples with high dose Si implantation. The onset temperature of crystallization increases with decreasing dose. Raman spectroscopy and XRD reveal gradual transformation of Si clusters into crystalline form. Visible photoluminescence band appears following implantation and its intensity increases with subsequent annealing process. Whilemore » the center of the peak does not shift, the intensity of the peak decreases with increasing dose. The origin of the observed photoluminescence is discussed in terms of radiation induced defects in the sapphire matrix.« less

A modified multiscale peak alignment method combined with trilinear decomposition to study the volatile/heat-labile components in Ligusticum chuanxiong Hort - Cyperus rotundus rhizomes by HS-SPME-GC/MS.

PubMed

He, Min; Yan, Pan; Yang, Zhi-Yu; Zhang, Zhi-Min; Yang, Tian-Biao; Hong, Liang

2018-03-15

Head Space/Solid Phase Micro-Extraction (HS-SPME) coupled with Gas Chromatography/Mass Spectrometer (GC/MS) was used to determine the volatile/heat-labile components in Ligusticum chuanxiong Hort - Cyperus rotundus rhizomes. Facing co-eluting peaks in k samples, a trilinear structure was reconstructed to obtain the second-order advantage. The retention time (RT) shift with multi-channel detection signals for different samples has been vital in maintaining the trilinear structure, thus a modified multiscale peak alignment (mMSPA) method was proposed in this paper. The peak position and peak width of representative ion profile were firstly detected by mMSPA using Continuous Wavelet Transform with Haar wavelet as the mother wavelet (Haar CWT). Then, the raw shift was confirmed by Fast Fourier Transform (FFT) cross correlation calculation. To obtain the optimal shift, Haar CWT was again used to detect the subtle deviations and be amalgamated in calculation. Here, to ensure there is no peaks shape alternation, the alignment was performed in local domains of data matrices, and all data points in the peak zone were moved via linear interpolation in non-peak parts. Finally, chemical components of interest in Ligusticum chuanxiong Hort - Cyperus rotundus rhizomes were analyzed by HS-SPME-GCMS and mMSPA-alternating trilinear decomposition (ATLD) resolution. As a result, the concentration variation between herbs and their pharmaceutical products can provide a scientific basic for the quality standard establishment of traditional Chinese medicines. Copyright © 2018 Elsevier B.V. All rights reserved.

Effects of Accumulating Work Shifts on Performance-Based Fatigue Using Multiple Strength Measurements in Day and Night Shift Nurses and Aides.

PubMed

Thompson, Brennan J; Stock, Matt S; Banuelas, Victoria K

2017-05-01

Objective This study aimed to examine the effects of accumulating nursing work on maximal and rapid strength characteristics in female nurses and compare these effects in day versus night shift workers. Background Nurses exhibit among the highest nonfatal injury rates of all occupations, which may be a consequence of long, cumulative work shift schedules. Fatigue may accumulate across multiple shifts and lead to performance impairments, which in turn may be linked to injury risks. Method Thirty-seven nurses and aides performed isometric strength-based performance testing of three muscle groups, including the knee extensors, knee flexors, and wrist flexors (hand grip), as well as countermovement jumps, at baseline and following exposure to three 12-hour work shifts in a four-day period. Variables included peak torque (PT) and rate of torque development (RTD) from isometric strength testing and jump height and power output. Results The rigorous work period resulted in significant decreases (-7.2% to -19.2%) in a large majority (8/9) of the isometric strength-based measurements. No differences were noted for the day versus night shift workers except for the RTD at 200 millisecond variable, for which the night shift had greater work-induced decreases than the day shift workers. No changes were observed for jump height or power output. Conclusions A compressed nursing work schedule resulted in decreases in strength-based performance abilities, being indicative of performance fatigue. Application Compressed work schedules involving long shifts lead to functional declines in nurse performance capacities that may pose risks for both the nurse and patient quality of care. Fatigue management plans are needed to monitor and regulate increased levels of fatigue.

Accumulation of 70S Monoribosomes in Escherichia coli After Energy Source Shift-Down

PubMed Central

Ruscetti, Francis W.; Jacobson, Lewis A.

1972-01-01

When Escherichia coli is shifted from glucose-minimal to succinate-minimal medium, a transient inhibition of protein synthesis and a time-dependent redistribution of ribosomes from polysomes to 70S monosomes occurs. These processes are reversed by a shift-up with glucose. In a lysate made from a mixture of log-phase and down-shifted cells, the 70S monosomes are derived solely from the down-shifted cells and are therefore not produced by polysome breakage during preparation. This conclusion is supported by the absence of nascent proteins from the 70S peak. The monosomes are not dissociated by NaCl or by a crude ribosome dissociation factor, so they behave as “complexed” rather than “free” particles. When down-shifted cells are incubated with rifampin to block ribonucleic acid (RNA) synthesis, the 70S monosomes disappear with a half-life of 15 min. When glucose is also added this half-life decreases to 3 min. The 70S particles are stable in the presence of rifampin when chloramphenicol is added to block protein synthesis. We interpret these data to mean that the existence of the 70S monosomes depends on the continued synthesis of messenger RNA and their conversion to free ribosomes (which dissociate under our conditions) is a result of their participation in protein synthesis. Finally, a significant fraction of the RNA labeled during a brief pulse of 3H-uracil is found associated with the 70S peak. These results are consistent with the hypothesis that the 70S monosomes are initiation complexes of single ribosomes and messenger RNA, which do not initiate polypeptide synthesis during a shift-down. PMID:4591472

Brillouin Frequency Shift of Fiber Distributed Sensors Extracted from Noisy Signals by Quadratic Fitting.

PubMed

Zheng, Hanrong; Fang, Zujie; Wang, Zhaoyong; Lu, Bin; Cao, Yulong; Ye, Qing; Qu, Ronghui; Cai, Haiwen

2018-01-31

It is a basic task in Brillouin distributed fiber sensors to extract the peak frequency of the scattering spectrum, since the peak frequency shift gives information on the fiber temperature and strain changes. Because of high-level noise, quadratic fitting is often used in the data processing. Formulas of the dependence of the minimum detectable Brillouin frequency shift (BFS) on the signal-to-noise ratio (SNR) and frequency step have been presented in publications, but in different expressions. A detailed deduction of new formulas of BFS variance and its average is given in this paper, showing especially their dependences on the data range used in fitting, including its length and its center respective to the real spectral peak. The theoretical analyses are experimentally verified. It is shown that the center of the data range has a direct impact on the accuracy of the extracted BFS. We propose and demonstrate an iterative fitting method to mitigate such effects and improve the accuracy of BFS measurement. The different expressions of BFS variances presented in previous papers are explained and discussed.

Video game players show higher performance but no difference in speed of attention shifts.

PubMed

Mack, David J; Wiesmann, Helene; Ilg, Uwe J

2016-09-01

Video games have become both a widespread leisure activity and a substantial field of research. In a variety of tasks, video game players (VGPs) perform better than non-video game players (NVGPs). This difference is most likely explained by an alteration of the basic mechanisms underlying visuospatial attention. More specifically, the present study hypothesizes that VGPs are able to shift attention faster than NVGPs. Such alterations in attention cannot be disentangled from changes in stimulus-response mappings in reaction time based measurements. Therefore, we used a spatial cueing task with varying cue lead times (CLTs) to investigate the speed of covert attention shifts of 98 male participants divided into 36 NVGPs and 62 VGPs based on their weekly gaming time. VGPs exhibited higher peak and mean performance than NVGPs. However, we did not find any differences in the speed of covert attention shifts as measured by the CLT needed to achieve peak performance. Thus, our results clearly rule out faster stimulus-response mappings as an explanation for the higher performance of VGPs in line with previous studies. More importantly, our data do not support the notion of faster attention shifts in VGPs as another possible explanation. Copyright © 2016 Elsevier B.V. All rights reserved.

Structure analysis and spectroscopic characterization of 2-Fluoro-3-Methylpyridine-5-Boronic Acid with experimental (FT-IR, Raman, NMR and XRD) techniques and quantum chemical calculations

NASA Astrophysics Data System (ADS)

Alver, Özgür; Dikmen, Gökhan

2016-03-01

Possible stable conformers, geometrical molecular structures, vibrational properties as well as band assignments, nuclear magnetic shielding tensors of 2-Fluoro-3-Methylpyridine-5-Boronic Acid (2F3MP5BA) were studied experimentally and theoretically using FT-IR, Raman, (CP/MAS) NMR and XRD spectroscopic methods. FT-IR and Raman spectra were evaluated in the region of 3500-400 cm-1, and 3200-400 cm-1, respectively. The optimized geometric structures, vibrational wavenumbers and nuclear magnetic shielding tensors were examined using Becke-3-Lee-Yang-Parr (B3LYP) hybrid density functional theory method with 6-311++G(d, p) basis set. 1H, 13C NMR chemical shifts were calculated using the gauge invariant atomic orbital (GIAO) method. 1H, 13C, APT and HETCOR NMR experiments of title molecule were carried out in DMSO solution. 13C CP/MAS NMR measurement was done with 4 mm zirconium rotor and glycine was used as an external standard. Single crystal of 2F3MP5BA was also prepared for XRD measurements. Assignments of vibrational wavenumbers were also strengthened by calculating the total energy distribution (TED) values using scaled quantum mechanical (SQM) method.

A Combined XRD/XRF Instrument for Lunar Resource Assessment

NASA Technical Reports Server (NTRS)

Vaniman, D. T.; Bish, D. L.; Chipera, S. J.; Blacic, J. D.

1992-01-01

Robotic surface missions to the Moon should be capable of measuring mineral as well as chemical abundances in regolith samples. Although much is already known about the lunar regolith, our data are far from comprehensive. Most of the regolith samples returned to Earth for analysis had lost the upper surface, or it was intermixed with deeper regolith. This upper surface is the part of the regolith most recently exposed to the solar wind; as such it will be important to resource assessment. In addition, it may be far easier to mine and process the uppermost few centimeters of regolith over a broad area than to engage in deep excavation of a smaller area. The most direct means of analyzing the regolith surface will be by studies in situ. In addition, the analysis of the impact-origin regolith surfaces, the Fe-rich glasses of mare pyroclastic deposits, are of resource interest, but are inadequately known; none of the extensive surface-exposed pyroclastic deposits of the Moon have been systematically sampled, although we know something about such deposits from the Apollo 17 site. Because of the potential importance of pyroclastic deposits, methods to quantify glass as well as mineral abundances will be important to resource evaluation. Combined x ray diffraction (XRD) and x ray fluorescence (XRF) analysis will address many resource characterization problems on the Moon. XRF methods are valuable for obtaining full major-element abundances with high precision. Such data, collected in parallel with quantitative mineralogy, permit unambiguous determination of both mineral and chemical abundances where concentrations are high enough to be of resource grade. Collection of both XRD and XRF data from a single sample provides simultaneous chemical and mineralogic information. These data can be used to correlate quantitative chemistry and mineralogy as a set of simultaneous linear equations, the solution of which can lead to full characterization of the sample. The use of

Fast-scale non-linear distortion analysis of peak-current-controlled buck-boost inverters

NASA Astrophysics Data System (ADS)

Zhang, Hao; Dong, Shuai; Yi, Chuanzhi; Guan, Weimin

2018-02-01

This paper deals with fast-scale non-linear distortion behaviours including asymmetrical period-doubling bifurcation and zero-crossing distortion in peak-current-controlled buck-boost inverters. The underlying mechanisms of the fast-scale non-linear distortion behaviours in inverters are revealed. The folded bifurcation diagram is presented to analyse the asymmetrical phenomenon of fast-scale period-doubling bifurcation. In view of the effect of phase shift and current ripple, the analytical expressions for one pair of critical phase angles are derived by using the design-oriented geometrical current approach. It is shown that the phase shift between inductor current and capacitor voltage should be responsible for the zero-crossing distortion phenomenon. These results obtained here are useful to optimise the circuit design and improve the circuit performance.

Effect of 1,6-hexamethylene diisocyanate exposure on peak flowmetry in automobile paint shop workers in Iran.

PubMed

Pourabedian, Siyamak; Barkhordari, Abdullah; Habibi, Ehsanallah; Rismanchiyan, Masoud; Zare, Mohsen

2010-06-01

The aim of this study was to investigate the effects of occupational exposure to 1,6-hexamethylene diisocyanate (HDI) on peak flowmetry in automobile body paint shop workers in Iran. We studied a population of 43 car painters exposed to HDI at their workplaces. Peak expiratory flow was tested for one working week, from the start to the end of each shift. Air was sampled and HDI analysed in parallel, according to the OSHA 42 method. Daily and weekly HDI exposure averages were (0.42+/-0.1) mg m(-3) and (0.13+/-0.05) mg m(-3), respectively. On painting days, 72 % of workers showed more than a 10 % variation in peak expiratory flow. Inhalation exposure exceeded the threshold limit value (TLV) ten times over. This strongly suggests that HDI affected the peak flowmetry in the studied workers.

Chemometric Analysis of Gas Chromatography – Mass Spectrometry Data using Fast Retention Time Alignment via a Total Ion Current Shift Function

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

Nadeau, Jeremy S.; Wright, Bob W.; Synovec, Robert E.

2010-04-15

A critical comparison of methods for correcting severely retention time shifted gas chromatography-mass spectrometry (GC-MS) data is presented. The method reported herein is an adaptation to the Piecewise Alignment Algorithm to quickly align severely shifted one-dimensional (1D) total ion current (TIC) data, then applying these shifts to broadly align all mass channels throughout the separation, referred to as a TIC shift function (SF). The maximum shift varied from (-) 5 s in the beginning of the chromatographic separation to (+) 20 s toward the end of the separation, equivalent to a maximum shift of over 5 peak widths. Implementing themore » TIC shift function (TIC SF) prior to Fisher Ratio (F-Ratio) feature selection and then principal component analysis (PCA) was found to be a viable approach to classify complex chromatograms, that in this study were obtained from GC-MS separations of three gasoline samples serving as complex test mixtures, referred to as types C, M and S. The reported alignment algorithm via the TIC SF approach corrects for large dynamic shifting in the data as well as subtle peak-to-peak shifts. The benefits of the overall TIC SF alignment and feature selection approach were quantified using the degree-of-class separation (DCS) metric of the PCA scores plots using the type C and M samples, since they were the most similar, and thus the most challenging samples to properly classify. The DCS values showed an increase from an initial value of essentially zero for the unaligned GC-TIC data to a value of 7.9 following alignment; however, the DCS was unchanged by feature selection using F-Ratios for the GC-TIC data. The full mass spectral data provided an increase to a final DCS of 13.7 after alignment and two-dimensional (2D) F-Ratio feature selection.« less

Focal shift and the axial optical coordinate for high-aperture systems of finite Fresnel number.

PubMed

Sheppard, Colin J R; Török, Peter

2003-11-01

Analytic expressions are given for the on-axis intensity predicted by the Rayleigh-Sommerfeld and Kirchhoff diffraction integrals for a scalar optical system of high numerical aperture and finite value of Fresnel number. A definition of the axial optical coordinate is introduced that is valid for finite values of Fresnel number, for high-aperture systems, and for observation points distant from the focus. The focal shift effect is reexamined. For the case when the focal shift is small, explicit expressions are given for the focal shift and the axial peak in intensity.

Interpreting lateral dynamic weight shifts using a simple inverted pendulum model.

PubMed

Kennedy, Michael W; Bretl, Timothy; Schmiedeler, James P

2014-01-01

Seventy-five young, healthy adults completed a lateral weight-shifting activity in which each shifted his/her center of pressure (CoP) to visually displayed target locations with the aid of visual CoP feedback. Each subject's CoP data were modeled using a single-link inverted pendulum system with a spring-damper at the joint. This extends the simple inverted pendulum model of static balance in the sagittal plane to lateral weight-shifting balance. The model controlled pendulum angle using PD control and a ramp setpoint trajectory, and weight-shifting was characterized by both shift speed and a non-minimum phase (NMP) behavior metric. This NMP behavior metric examines the force magnitude at shift initiation and provides weight-shifting balance performance information that parallels the examination of peak ground reaction forces in gait analysis. Control parameters were optimized on a subject-by-subject basis to match balance metrics for modeled results to metric values calculated from experimental data. Overall, the model matches experimental data well (average percent error of 0.35% for shifting speed and 0.05% for NMP behavior). These results suggest that the single-link inverted pendulum model can be used effectively to capture lateral weight-shifting balance, as it has been shown to model static balance. Copyright © 2014 Elsevier B.V. All rights reserved.

Quantitative shock stage assessment in olivine and pyroxene bearing meteorites via in situ micro-XRD

NASA Astrophysics Data System (ADS)

McCausland, P. J.; Flemming, R. L.; Izawa, M. R.

2010-12-01

Shock metamorphism is observed in most meteorites and impact structures [1]. Qualitative petrographic observations underpin a shock classification system [1-3] based on the deformation features in common silicates and on textural relations such as the development of maskelynite from feldspars, mobility of sulphides and metal in veins and local Fe-reduction in silicates. Shock deformation of minerals produces streaks (mosaicity) rather than discrete spots in 2D X-ray diffraction patterns, representing the progressive disruption of the crystal lattice into a mosaic of rotated domains [4,5]. Here we use in situ micro-XRD [5,6] to measure the mosaicity of olivine and pyroxene in ordinary chondrites of increasing shock stages S1 to S5 and then apply the method to achondrites with qualitatively low to high shock. X-ray diffraction data were collected in situ on polished thin sections and slab cut surfaces using a Bruker D8 Discover micro X-ray diffractometer [5], operated using CuKα radiation generated at 40 kV and 40 mA with a beam diameter of 500 μm. Diffracted X-rays were recorded with a 2D detector, giving images with information in both the 2-theta and chi dimensions, in which each lattice plane (hkl) will have a diffraction spot or streak lying along an arc in chi of radius 2-theta (hkl). Individual reflections can be indexed and then integrated as a function of chi angle, allowing examination of the peak shape and quantitative analysis of the mosaic peak FWHM along chi. We find that both forsterite and enstatite exhibit greater mosaicity in chi with increasing shock stage: Forsterite chi ranges from <1° for S1 to >6° for S5. Enstatite chi values from the same meteorites show a more subdued growth of streak length with shock state, from ~1° to ~4°. A slab of the olivine shergottite DaG 476 exhibits forsterite mosaicity of 6.9°+/-1.1°, indicating that it has experienced shock stage S5, with shock pressures 30-45 GPa [1,4], consistent with the 40-45 GPa shock

The new insight into the structure-activity relation of Pd/CeO2-ZrO2-Nd2O3 catalysts by Raman, in situ DRIFTS and XRD Rietveld analysis.

PubMed

Yang, X; Yang, L; Lin, J; Zhou, R

2016-01-28

Pd/CeO2-ZrO2-Nd2O3 (CZN) catalysts with different CeO2/ZrO2 molar ratios were synthesized and have been characterized by multiple techniques, e.g. XRD in combination with Rietveld refinement, UV-Raman, XPS and in situ DRIFTS. The XRD pattern of CZN with CeO2/ZrO2 molar ratios ≥1/2 can be indexed satisfactorily to the fluorite structure with a space group Fm3̄m, while the XRD patterns of CZ12 only display diffraction peaks of the tetragonal phase (S.G. P42/nmc). Nd addition can effectively stabilize the cubic structure of the CZN support and increase the enrichment of defect sites on the surface, which may be related to the better catalytic activity of Pd/CZN12 catalysts compared with Pd/CZ12. The presence of moderate ZrO2 can increase the concentration of O* active species, leading to accelerate the formation of nitrate species and thus enhance the catalytic activity of NOx and HC elimination. The Pd-dispersion decreases with the increasing Zr content, leading to the decreased CO catalytic activity, especially for the aged catalysts. The change regularity of the OSC value is almost the same with the in situ dynamic operational window, demonstrating that the in situ dynamic operational window is basically affected by the OSC value.

Solvent dependent frequency shift and Raman noncoincidence effect of S=O stretching mode of Dimethyl sulfoxide in liquid binary mixtures.

PubMed

Upadhyay, Ganesh; Devi, Th Gomti; Singh, Ranjan K; Singh, A; Alapati, P R

2013-05-15

The isotropic and anisotropic Raman peak frequencies of S=O stretching mode of Dimethyl sulfoxide (DMSO) have been discussed in different chemical and isotopic solvent molecules using different mechanisms. The shifting of peak frequency in further dilution of DMSO with solvent molecule is observed for all solvents. Transition dipole - transition dipole interaction and hydrogen bonding may play a major role in shifting of peak frequencies. The non-coincidence effect (NCE) of DMSO was determined for all the solvents and compared with four theoretical models such as McHale's model, Mirone's modification of McHale's model, Logan's model and Onsager-Fröhlich dielectric continuum model respectively. Most of the theoretical models are largely consistent with our experimental data. Copyright © 2013. Published by Elsevier B.V.

Growth dynamics of juvenile loggerhead sea turtles undergoing an ontogenetic habitat shift.

PubMed

Ramirez, Matthew D; Avens, Larisa; Seminoff, Jeffrey A; Goshe, Lisa R; Heppell, Selina S

2017-04-01

Ontogenetic niche theory predicts that individuals may undergo one or more changes in habitat or diet throughout their lifetime to maintain optimal growth rates, or to optimize trade-offs between mortality risk and growth. We combine skeletochronological and stable nitrogen isotope (δ 15 N) analyses of sea turtle humeri (n = 61) to characterize the growth dynamics of juvenile loggerhead sea turtles (Caretta caretta) during an oceanic-to-neritic ontogenetic shift. The primary objective of this study was to determine how ontogenetic niche theory extends to sea turtles, and to individuals with different patterns of resource use (discrete shifters, n = 23; facultative shifters n = 14; non-shifters, n = 24). Mean growth rates peaked at the start of the ontogenetic shift (based on change in δ 15 N values), but returned to pre-shift levels within 2 years. Turtles generally only experienced 1 year of relatively high growth, but the timing of peak growth relative to the start of an ontogenetic shift varied among individuals (before, n = 14; during, n = 12; after, n = 8). Furthermore, no reduction in growth preceded the transition, as is predicted by ontogenetic niche theory. Annual growth rates were similar between non-transitioning turtles resident in oceanic and neritic habitats and turtles displaying alternative patterns of resource use. These results suggest that factors other than maximization of size-specific growth may more strongly influence the timing of ontogenetic shifts in loggerhead sea turtles, and that alternative patterns of resource use may have limited influence on somatic growth and age at maturation in this species.

Computation of distribution of minimum resolution for log-normal distribution of chromatographic peak heights.

PubMed

Davis, Joe M

2011-10-28

General equations are derived for the distribution of minimum resolution between two chromatographic peaks, when peak heights in a multi-component chromatogram follow a continuous statistical distribution. The derivation draws on published theory by relating the area under the distribution of minimum resolution to the area under the distribution of the ratio of peak heights, which in turn is derived from the peak-height distribution. Two procedures are proposed for the equations' numerical solution. The procedures are applied to the log-normal distribution, which recently was reported to describe the distribution of component concentrations in three complex natural mixtures. For published statistical parameters of these mixtures, the distribution of minimum resolution is similar to that for the commonly assumed exponential distribution of peak heights used in statistical-overlap theory. However, these two distributions of minimum resolution can differ markedly, depending on the scale parameter of the log-normal distribution. Theory for the computation of the distribution of minimum resolution is extended to other cases of interest. With the log-normal distribution of peak heights as an example, the distribution of minimum resolution is computed when small peaks are lost due to noise or detection limits, and when the height of at least one peak is less than an upper limit. The distribution of minimum resolution shifts slightly to lower resolution values in the first case and to markedly larger resolution values in the second one. The theory and numerical procedure are confirmed by Monte Carlo simulation. Copyright © 2011 Elsevier B.V. All rights reserved.

Nonphotic phase shifting in female Syrian hamsters: interactions with the estrous cycle.

PubMed

Young Janik, L; Janik, Daniel

2003-08-01

Nonphotic phase shifting of circadian rhythms was examined in female Syrian hamsters. Animals were stimulated at zeitgeber time 4.5 by either placing them in a novel running wheel or by transferring them to a clean home cage. Placement in a clean home cage was more effective than novel wheel treatment in stimulating large (> 1.5 h) phase shifts. Peak phase shifts (ca. 3.5 h) and the percentage of females showing large phase shifts were comparable to those found in male hamsters stimulated with novel wheels. The amount of activity induced by nonphotic stimulation and the amount of phase shifting varied slightly with respect to the 4-day estrous cycle. Animals tended to run less and shift less on the day of estrus. Nonphotic stimulation on proestrus often resulted in a 1-day delay of the estrous cycle reflected in animals' postovulatory vaginal discharge and the expression of sexual receptivity (lordosis). This delay of the estrous cycle was associated with large phase advances and high activity. These results extend the generality of nonphotic phase shifting to females for the first time and raise the possibility that resetting of circadian rhythms can induce changes in the estrous cycle.

Comparative investigation of Fourier transform infrared (FT-IR) spectroscopy and X-ray diffraction (XRD) in the determination of cotton fiber crystallinity.

PubMed

Liu, Yongliang; Thibodeaux, Devron; Gamble, Gary; Bauer, Philip; VanDerveer, Don

2012-08-01

Despite considerable efforts in developing curve-fitting protocols to evaluate the crystallinity index (CI) from X-ray diffraction (XRD) measurements, in its present state XRD can only provide a qualitative or semi-quantitative assessment of the amounts of crystalline or amorphous fraction in a sample. The greatest barrier to establishing quantitative XRD is the lack of appropriate cellulose standards, which are needed to calibrate the XRD measurements. In practice, samples with known CI are very difficult to prepare or determine. In a previous study, we reported the development of a simple algorithm for determining fiber crystallinity information from Fourier transform infrared (FT-IR) spectroscopy. Hence, in this study we not only compared the fiber crystallinity information between FT-IR and XRD measurements, by developing a simple XRD algorithm in place of a time-consuming and subjective curve-fitting process, but we also suggested a direct way of determining cotton cellulose CI by calibrating XRD with the use of CI(IR) as references.

Negligible shift of 3Ag- potential in longer-chain carotenoids as revealed by a single persistent peak of 3Ag-→1Ag- stimulated emission followed by 3Ag-←1Ag- transient-absorption

NASA Astrophysics Data System (ADS)

Li, Chunyong; Miki, Takeshi; Kakitani, Yoshinori; Koyama, Yasushi; Nagae, Hiroyoshi

2007-12-01

Upon excitation of lycopene, anhydrorhodovibrin or spirilloxanthin to the 1Bu+(0) state, stimulated emission followed by transient-absorption was observed as a single peak with the 3Ag-(0) energy that had been determined by measurement of resonance-Raman excitation profiles. This observation was explained in terms of negligible shift of the 3Ag- potential, in reference to the 1Ag- potential, where only the 3Ag-(υ)→1Ag-(υ) emission and the 3Ag-(υ)←1Ag-(υ) absorption become allowed during the vibrational relaxation of υ = 2 → 1 → 0, starting from the 3Ag-(2) level generated by diabatic internal conversion from the 1Bu+(0) level, in anhydrorhodovibrin, for example.

Infrared spectroscopy as a tool to characterise starch ordered structure--a joint FTIR-ATR, NMR, XRD and DSC study.

PubMed

Warren, Frederick J; Gidley, Michael J; Flanagan, Bernadine M

2016-03-30

Starch has a heterogeneous, semi-crystalline granular structure and the degree of ordered structure can affect its behaviour in foods and bioplastics. A range of methodologies are employed to study starch structure; differential scanning calorimetry, (13)C nuclear magnetic resonance, X-ray diffraction and Fourier transform infrared spectroscopy (FTIR). Despite the appeal of FTIR as a rapid, non-destructive methodology, there is currently no systematically defined quantitative relationship between FTIR spectral features and other starch structural measures. Here, we subject 61 starch samples to structural analysis, and systematically correlate FTIR spectra with other measures of starch structure. A hydration dependent peak position shift in the FTIR spectra of starch is observed, resulting from increased molecular order, but with complex, non-linear behaviour. We demonstrate that FTIR is a tool that can quantitatively probe short range interactions in starch structure. However, the assumptions of linear relationships between starch ordered structure and peak ratios are overly simplistic. Copyright © 2015 Elsevier Ltd. All rights reserved.

Differentiation of cancerous and normal brain tissue using label free fluorescence and Stokes shift spectroscopy

NASA Astrophysics Data System (ADS)

Zhou, Yan; Wang, Leana; Liu, Cheng-hui; He, Yong; Yu, Xinguang; Cheng, Gangge; Wang, Peng; Shu, Cheng; Alfano, Robert R.

2016-03-01

In this report, optical biopsy was applied to diagnose human brain cancer in vitro for the identification of brain cancer from normal tissues by native fluorescence and Stokes shift spectra (SSS). 77 brain specimens including three types of human brain tissues (normal, glioma and brain metastasis of lung cancers) were studied. In order to observe spectral changes of fluorophores via fluorescence, the selected excitation wavelength of UV at 300 and 340 nm for emission spectra and a different Stokes Shift spectra with intervals Δλ = 40 nm were measured. The fluorescence spectra and SSS from multiple key native molecular markers, such as tryptophan, collagen, NADH, alanine, ceroid and lipofuscin were observed in normal and diseased brain tissues. Two diagnostic criteria were established based on the ratios of the peak intensities and peak position in both fluorescence and SSS spectra. It was observed that the ratio of the spectral peak intensity of tryptophan (340 nm) to NADH (440 nm) increased in glioma, meningioma (benign), malignant meninges tumor, and brain metastasis of lung cancer tissues in comparison with normal tissues. The ratio of the SS spectral peak (Δλ = 40 nm) intensities from 292 nm to 366 nm had risen similarly in all grades of tumors.

In-situ XRD vs ex-situ vacuum annealing of tantalum oxynitride thin films: Assessments on the structural evolution

NASA Astrophysics Data System (ADS)

Cunha, L.; Apreutesei, M.; Moura, C.; Alves, E.; Barradas, N. P.; Cristea, D.

2018-04-01

The purpose of this work is to discuss the main structural characteristics of a group of tantalum oxynitride (TaNxOy) thin films, with different compositions, prepared by magnetron sputtering, and to interpret and compare the structural changes, by X-ray diffraction (XRD), when the samples are vacuum annealed under two different conditions: i) annealing, followed by ex-situ XRD: one sample of each deposition run was annealed at a different temperature, until a maximum of 800 °C, and the XRD patterns were obtained, at room temperature, after each annealing process; ii) annealing with in-situ XRD: the diffraction patterns are obtained, at certain temperatures, during the annealing process, using always the same sample. In-situ XRD annealing could be an interesting process to perform annealing, and analysing the evolution of the structure with the temperature, when compared to the classical process. A higher structural stability was observed in some of the samples, particularly on those with highest oxygen content, but also on the sample with non-metal (O + N) to metal (Ta) ratio around 0.5.

NMR Spectroscopy Using a Chiral Lanthanide Shift Reagent to Assess the Optical Purity of 1-Phenylethylamine

NASA Astrophysics Data System (ADS)

Viswanathan, Tito; Toland, Alan

1995-10-01

Enantiomeric forms of 1-phenylethylamine cannot be distinguished by 1H or 13C-NMR because the groups attached to the stereocenter are in an enantiopic environment. However, the chemical shifts of the protons in the groups attached to the stereocenter can be differentially altered to appear as distinct peaks in the NMR spectrum. This is accomplished by the use of a commercially available chiral lanthanide shift reagent, Yb(tfC)3. The NMR spectrum after the addition of a chiral shift reagent allows one to assess the optical purity of the sample.

High temperature XRD of Cu2.1Zn0.9SnSe4

NASA Astrophysics Data System (ADS)

Chetty, Raju; Mallik, Ramesh Chandra

2014-04-01

Quaternary compound with chemical composition Cu2.1Zn0.9SnSe4 is prepared by solid state synthesis. High temperature XRD (X-Ray Diffraction) of this compound is used in studying the effect of temperature on lattice parameters and thermal expansion coefficients. Thermal expansion coefficient is one of the important quantities in evaluating the Grüneisen parameter which further useful in determining the lattice thermal conductivity of the material. The high temperature XRD of the material revealed that the lattice parameters as well as thermal expansion coefficients of the material increased with increase in temperature which confirms the presence of anharmonicty.

Disruption of crystalline structure of Sn3.5Ag induced by electric current

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

Huang, Han-Chie; Lin, Kwang-Lung, E-mail: matkllin@mail.ncku.edu.tw; Wu, Albert T.

2016-03-21

This study presented the disruption of the Sn and Ag{sub 3}Sn lattice structures of Sn3.5Ag solder induced by electric current at 5–7 × 10{sup 3} A/cm{sup 2} with a high resolution transmission electron microscope investigation and electron diffraction analysis. The electric current stressing induced a high degree of strain on the alloy, as estimated from the X-ray diffraction (XRD) peak shift of the current stressed specimen. The XRD peak intensity of the Sn matrix and the Ag{sub 3}Sn intermetallic compound diminished to nearly undetectable after 2 h of current stressing. The electric current stressing gave rise to a high dislocation density ofmore » up to 10{sup 17}/m{sup 2}. The grain morphology of the Sn matrix became invisible after prolonged current stressing as a result of the coalescence of dislocations.« less

Preparation and characterization of PVP-PVA–ZnO blend polymer nano composite films

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

Divya, S., E-mail: divi.fysics@gmail.com; Saipriya, G.; Hemalatha, J., E-mail: hemalatha@nitt.edu

Flexible self-standing films of PVP-PVA blend composites are prepared by using ZnO as a nano filler at different concentrations. The structural, compositional, morphological and optical studies made with the help of X-ray diffraction (XRD), Fourier Transform Infra-Red spectroscopy (FTIR), Scanning electron microscope (SEM), Atomic Force Microscopy (AFM), Ultraviolet-visible spectroscopy (UV-vis) and Photoluminescence (PL) spectra are presented in this paper. The results of XRD indicate that ZnO nanoparticles are formed with hexagonal phase in the polymeric matrix. SEM images show the dispersion of ZnO nano filler in the polymer matrix. UV–vis spectra reveal that the absorption peak is centered around 235more » nm and 370 nm for the nano composite films. The blue shift is observed with decrease in the concentration of the nano filler. PL spectra shows the excitation wavelength is given at 320 nm.The emission peaks were observed at 383 nm ascribing to the electronic transitions between valence band and conduction band and the peak at 430 nm.« less

Role of medial cortical, hippocampal and striatal interactions during cognitive set-shifting.

PubMed

Graham, Steven; Phua, Elaine; Soon, Chun Siong; Oh, Tomasina; Au, Chris; Shuter, Borys; Wang, Shih-Chang; Yeh, Ing Berne

2009-05-01

To date, few studies have examined the functional connectivity of brain regions involved in complex executive function tasks, such as cognitive set-shifting. In this study, eighteen healthy volunteers performed a cognitive set-shifting task modified from the Wisconsin card sort test while undergoing functional magnetic resonance imaging. These modifications allowed better disambiguation between cognitive processes and revealed several novel findings: 1) peak activation in the caudate nuclei in the first instance of negative feedback signaling a shift in rule, 2) lowest caudate activation once the rule had been identified, 3) peak hippocampal activation once the identity of the rule had been established, and 4) decreased hippocampal activation during the generation of new rule candidates. This pattern of activation across cognitive set-shifting events suggests that the caudate nuclei play a role in response generation when the identity of the new rule is unknown. In contrast, the reciprocal pattern of hippocampal activation suggests that the hippocampi help consolidate knowledge about the correct stimulus-stimulus associations, associations that become inappropriate once the rule has changed. Functional connectivity analysis using Granger Causality Mapping revealed that caudate and hippocampal regions interacted indirectly via a circuit involving the medial orbitofrontal and posterior cingulate regions, which are known to bias attention towards stimuli based on expectations built up from task-related feedback. Taken together, the evidence suggests that these medial regions may mediate striato-hippocampal interactions and hence affect goal-directed attentional transitions from a response strategy based on stimulus-reward heuristics (caudate-dependent) to one based on stimulus-stimulus associations (hippocampus-dependent).

A new approach for white organic light-emitting diodes of single emitting layer using large stokes shift.

PubMed

Kim, Beomjin; Park, Youngil; Kim, Seungho; Lee, Younggu; Park, Jongwook

2014-08-01

DPPZ showed UV-Vis. and PL maximum values of 412 and 638 nm, meaning the large stokes shift. Blue host compound, TAT was synthesized and used for co-mixed white emission. TAT exhibited UV-Vis. and PL maximum values of 403 nm and 445 nm in film state. Thus, when two compounds are used as co-mixed emitter in OLED device, there is no energy transfer from blue emission of TAT to DPPZ due to large stokes shift of DPPZ. Based on the PL result, it is available to realize two-colored white in PL and EL spectra. As a result of this, two-mixed compounds showed vivid their own PL emission peaks of 449 and 631 nm in film state. Also, white OLED device using two-mixed compounds system was fabricated. EL spectrum shows 457 and 634 nm peaks and two separate EL peaks, respectively. As the operation voltage is increased from 7 to 11 V, EL spectrum does not change the peak shape and maximum wavelength values. EL performance of white device showed 0.29 cd/A, 0.14 lm/W, and CIE (0.325, 0.195) at 7 V.

Peak Politics: Resource Scarcity and Libertarian Political Culture in the United States

NASA Astrophysics Data System (ADS)

Schneider-Mayerson, Matthew

My dissertation uses the "peak oil" movement as a lens to analyze the convergence of apocalyptic environmental thinking and libertarian political culture in the recent United States. The "peak oil" movement was a twenty-first century American social movement of Americans who came to believe that oil depletion and other environmental problems would lead to the imminent collapse of global industrial society. Dedicated adherents developed a rich subculture, primarily online, and prepared themselves for the "post-carbon" future by conserving energy, changing occupations, and even purchasing land. Drawing on surveys of over 1,500 participants, ethnographic research, discourse analysis of peak oil websites and literary analysis of subcultural fiction, my research reveals a group of mostly white, male, liberal Americans struggling with the perceived threat of economic, environmental and geopolitical decline while the country undergoes a broad shift in political culture: the continued rise of libertarian ideals, accelerated by the influence of Internet technology. I view this apocalyptic subculture in the context of petroleum dependence, eco-apocalyptic discourses, the environmental discourse of "limits to growth," white masculinity, climate change, and the influence of conservative individualism on American political culture.

X-ray peak broadening analysis of AA 6061{sub 100-x} - x wt.% Al{sub 2}O{sub 3} nanocomposite prepared by mechanical alloying

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

Sivasankaran, S., E-mail: sivasankarangs1979@gmail.com; Sivaprasad, K., E-mail: ksp@nitt.edu; Narayanasamy, R., E-mail: narayan@nitt.edu

2011-07-15

Nanocrystalline AA 6061 alloy reinforced with alumina (0, 4, 8, and 12 wt.%) in amorphized state composite powder was synthesized by mechanical alloying and consolidated by conventional powder metallurgy route. The as-milled and as-sintered (573 K and 673 K) nanocomposites were characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The peaks corresponding to fine alumina was not observed by XRD patterns due to amorphization. Using high-resolution transmission electron microscope, it is confirmed that the presence of amorphized alumina observed in Al lattice fringes. The crystallite size, lattice strain, deformation stress, and strain energy density of AA 6061 matrixmore » were determined precisely from the first five most intensive reflection of XRD using simple Williamson-Hall models; uniform deformation model, uniform stress deformation model, and uniform energy density deformation model. Among the developed models, uniform energy density deformation model was observed to be the best fit and realistic model for mechanically alloyed powders. This model evidenced the more anisotropic nature of the ball milled powders. The XRD peaks of as-milled powder samples demonstrated a considerable broadening with percentage of reinforcement due to grain refinement and lattice distortions during same milling time (40 h). The as-sintered (673 K) unreinforced AA 6061 matrix crystallite size from well fitted uniform energy density deformation model was 98 nm. The as-milled and as-sintered (673 K) nanocrystallite matrix sizes for 12 wt.% Al{sub 2}O{sub 3} well fitted by uniform energy density deformation model were 38 nm and 77 nm respectively, which indicate that the fine Al{sub 2}O{sub 3} pinned the matrix grain boundary and prevented the grain growth during sintering. Finally, the lattice parameter of Al matrix in as-milled and as-sintered conditions was also investigated in this paper. Research highlights: {yields} Integral breadth methods using

Active Region Moss: Doppler Shifts from Hinode/EIS Observations

NASA Technical Reports Server (NTRS)

Tripathi, Durgesh; Mason, Helen E.; Klimchuk, James A.

2012-01-01

Studying the Doppler shifts and the temperature dependence of Doppler shifts in moss regions can help us understand the heating processes in the core of the active regions. In this paper we have used an active region observation recorded by the Extreme-ultraviolet Imaging Spectrometer (EIS) onboard Hinode on 12-Dec- 2007 to measure the Doppler shifts in the moss regions. We have distinguished the moss regions from the rest of the active region by defining a low density cut-off as derived by Tripathi et al. (2010). We have carried out a very careful analysis of the EIS wavelength calibration based on the method described in Young, O Dwyer and Mason (2012). For spectral lines having maximum sensitivity between log T = 5.85 and log T = 6.25 K, we find that the velocity distribution peaks at around 0 km/s with an estimated error of 4 km/s. The width of the distribution decreases with temperature. The mean of the distribution shows a blue shift which increases with increasing temperature and the distribution also shows asymmetries towards blue-shift. Comparing these results with observables predicted from different coronal heating models, we find that these results are consistent with both steady and impulsive heating scenarios. Further observational constraints are needed to distinguish between these two heating scenarios.

Femtosecond laser pulse distortion in Ti:sapphire multipass amplifier by atomic phase shifts

NASA Astrophysics Data System (ADS)

Hwang, Seungjin; Jeong, Jihoon; Cho, Seryeyohan; Lee, Jongmin; Yu, Tae Jun

2017-11-01

We have derived modified Frantz-Nodvik equations that simultaneously account for atomic phase shift (APS) and gain depletion as the chirped laser pulse passes through a gain medium, and have analyzed the effect of temporal pulse distortion in a Ti:sapphire multipass amplifier chain. The combination of APS and gain depletion distorted a temporal pulse and decreased the peak power. The pulse width increased from 21.3 fs to 22.8 fs and the peak power reduced to 89% for the PW class Ti:sapphire CPA laser system in the particular conditions.

A study of the red-shift of a neutral donor bound exciton in GaN nanorods by hydrogenation

NASA Astrophysics Data System (ADS)

Park, Byung-Guon; Lee, Sang-Tae; Reddeppa, Maddaka; Kim, Moon-Deock; Oh, Jae-Eung; Lee, Sang-Kwon

2017-09-01

In this paper we account for the physics behind the exciton peak shift in GaN nanorods (NRs) due to hydrogenation. GaN NRs were selectively grown on a patterned Ti/Si(111) substrate using plasma-assisted molecular beam epitaxy, and the effect of hydrogenation on their optical properties was investigated in detail using low-temperature photoluminescence measurements. Due to hydrogenation, the emissions corresponding to the donor-acceptor pair and yellow luminescence in GaN NRs were strongly suppressed, while the emission corresponding to the neutral to donor bound exciton (D0X) exhibited red-shift. Thermal annealing of hydrogenated GaN NRs demonstrated the recovery of the D0X and deep level emission. To determine the nature of the D0X peak shift due to hydrogenation, comparative studies were carried out on various diameters of GaN NRs, which can be controlled by different growth conditions and wet-etching times. Our experimental results reveal that the D0X shift depends on the diameter of the GaN NRs after hydrogenation. The results clearly demonstrate that the hydrogenation leads to band bending of GaN NRs as compensated by hydrogen ions, which causes a red-shift in the D0X emission.

A study of the red-shift of a neutral donor bound exciton in GaN nanorods by hydrogenation.

PubMed

Park, Byung-Guon; Lee, Sang-Tae; Reddeppa, Maddaka; Kim, Moon-Deock; Oh, Jae-Eung; Lee, Sang-Kwon

2017-09-08

In this paper we account for the physics behind the exciton peak shift in GaN nanorods (NRs) due to hydrogenation. GaN NRs were selectively grown on a patterned Ti/Si(111) substrate using plasma-assisted molecular beam epitaxy, and the effect of hydrogenation on their optical properties was investigated in detail using low-temperature photoluminescence measurements. Due to hydrogenation, the emissions corresponding to the donor-acceptor pair and yellow luminescence in GaN NRs were strongly suppressed, while the emission corresponding to the neutral to donor bound exciton (D 0 X) exhibited red-shift. Thermal annealing of hydrogenated GaN NRs demonstrated the recovery of the D 0 X and deep level emission. To determine the nature of the D 0 X peak shift due to hydrogenation, comparative studies were carried out on various diameters of GaN NRs, which can be controlled by different growth conditions and wet-etching times. Our experimental results reveal that the D 0 X shift depends on the diameter of the GaN NRs after hydrogenation. The results clearly demonstrate that the hydrogenation leads to band bending of GaN NRs as compensated by hydrogen ions, which causes a red-shift in the D 0 X emission.

125Te NMR chemical-shift trends in PbTe–GeTe and PbTe–SnTe alloys

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

Njegic, Bosiljka; Levin, Evgenii M.; Schmidt-Rohr, Klaus

2013-10-08

Complex tellurides, such as doped PbTe, GeTe, and their alloys, are among the best thermoelectric materials. Knowledge of the change in 125Te NMR chemical shift due to bonding to dopant or “solute” atoms is useful for determination of phase composition, peak assignment, and analysis of local bonding. We have measured the 125Te NMR chemical shifts in PbTe-based alloys, Pb 1-xGe xTe and Pb 1-xSn xTe, which have a rocksalt-like structure, and analyzed their trends. For low x, several peaks are resolved in the 22-kHz MAS 125Te NMR spectra. A simple linear trend in chemical shifts with the number of Pbmore » neighbors is observed. No evidence of a proposed ferroelectric displacement of Ge atoms in a cubic PbTe matrix is detected at low Ge concentrations. The observed chemical shift trends are compared with the results of DFT calculations, which confirm the linear dependence on the composition of the first-neighbor shell. The data enable determination of the composition of various phases in multiphase telluride materials. They also provide estimates of the 125Te chemical shifts of GeTe and SnTe (+970 and +400±150 ppm, respectively, from PbTe), which are otherwise difficult to access due to Knight shifts of many hundreds of ppm in neat GeTe and SnTe.« less

Temperature driven structural-memory-effects in carbon nanotubes filled with Fe3C nano crystals

NASA Astrophysics Data System (ADS)

Boi, Filippo S.; Zhang, Xiaotian; Corrias, Anna

2018-02-01

We report the observation of novel temperature-driven structural-memory-effects in carbon nanotubes (CNTs) filled with Fe3C nano-crystals. These structural-transitions were measured by means of temperature (T) dependent x-ray diffraction (XRD) in the T-range from 298 K to 12 K. A clear reversible 2θ-shift in the 002-peak of the graphitic-CNTs-walls is found with the decrease of the temperature. As determined by Rietveld refinement, such 2θ-shift translates in a not previously reported decrease in the value of the CNT graphitic c-axis with the decrease of the temperature (from 298 K to 12 K). Also, a clear reversible 2θ-shift in the 031 and 131 diffraction-peaks of Fe3C is observed within the same T-range. Rietveld refinements confirm the existence of such memory-effect and also reveal a gradual decrease of the 010-axis of Fe3C with the decrease of the temperature. These observations imply that the observed structural-memory-effect is a characteristic of CNTs when Fe3C is the encapsulated ferromagnet. The generality of such memory-effects was further confirmed by additional measurements performed on other types of CNTs characterized by continuous Fe3C-filling. XRD measurements in the T-range from 298 K to 673 K revealed also an unusual reversible decrease of the Fe3C-peak intensities with the increase of the temperature. These observations can have important implications on the magnetic data recording applications of these nanostructures by helping in better understanding the unusual temperature-dependent magnetic instabilities of iron-based nano-crystals which have been recently reported in literature.

Franck Condon shift assessment in 2D MoS₂.

PubMed

Gupta, Sunny; Shirodkar, Sharmila N; Kaplan, Daniel; Swaminathan, Venkataraman; Yakobson, Boris I

2018-01-19

Optical spectroscopy (OS) techniques are often coupled with first-principles density functional theoretical (DFT) calculations for determining the precise influence of defects on the electronic and structural properties of two dimensional (2D) TMDs. Such calculations are carried out presuming there is little or no effect of vibrational transitions on the observed electronic spectrum. However, if the effect of change in vibrational energy [Franck Condon (FC) shift] associated with such a transition is large, it could possibly lead to a different origin for the observed peak. One such instance is the attribution of the 0.75 eV cathodoluminescence peak by Fabbri et. al. [Nat. Commun. 7, 13044 (2016)]. to an optical transition from an S vacancy level in the band gap, under the assumption that the FC shift is negligible. Here, by first principles constrained DFT calculations using hybrid HSE06 functional we show that this combined prediction of OS and DFT calculations is valid for 2D MoS2 since the FC shift associated with electronic transitions from a sulfur vacancy is, indeed, small ~28 meV. Based on our calculations we conclude that it is reasonable to make a direct connection between DFT calculations and optical spectroscopy techniques in this material, hence, establishing a one to one relation between defect related emission bands and electronic transitions from the defect levels. © 2018 IOP Publishing Ltd.

Interactions between gaze-evoked blinks and gaze shifts in monkeys.

PubMed

Gandhi, Neeraj J

2012-02-01

Rapid eyelid closure, or a blink, often accompanies head-restrained and head-unrestrained gaze shifts. This study examines the interactions between such gaze-evoked blinks and gaze shifts in monkeys. Blink probability increases with gaze amplitude and at a faster rate for head-unrestrained movements. Across animals, blink likelihood is inversely correlated with the average gaze velocity of large-amplitude control movements. Gaze-evoked blinks induce robust perturbations in eye velocity. Peak and average velocities are reduced, duration is increased, but accuracy is preserved. The temporal features of the perturbation depend on factors such as the time of blink relative to gaze onset, inherent velocity kinematics of control movements, and perhaps initial eye-in-head position. Although variable across animals, the initial effect is a reduction in eye velocity, followed by a reacceleration that yields two or more peaks in its waveform. Interestingly, head velocity is not attenuated; instead, it peaks slightly later and with a larger magnitude. Gaze latency is slightly reduced on trials with gaze-evoked blinks, although the effect was more variable during head-unrestrained movements; no reduction in head latency is observed. Preliminary data also demonstrate a similar perturbation of gaze-evoked blinks during vertical saccades. The results are compared with previously reported effects of reflexive blinks (evoked by air-puff delivered to one eye or supraorbital nerve stimulation) and discussed in terms of effects of blinks on saccadic suppression, neural correlates of the altered eye velocity signals, and implications on the hypothesis that the attenuation in eye velocity is produced by a head movement command.

Quantitation Error in 1H MRS Caused by B1 Inhomogeneity and Chemical Shift Displacement.

PubMed

Watanabe, Hidehiro; Takaya, Nobuhiro

2017-11-08

The quantitation accuracy in proton magnetic resonance spectroscopy ( 1 H MRS) improves at higher B 0 field. However, a larger chemical shift displacement (CSD) and stronger B 1 inhomogeneity exist. In this work, we evaluate the quantitation accuracy for the spectra of metabolite mixtures in phantom experiments at 4.7T. We demonstrate a position-dependent error in quantitation and propose a correction method by measuring water signals. All experiments were conducted on a whole-body 4.7T magnetic resonance (MR) system with a quadrature volume coil for transmission and reception. We arranged three bottles filled with metabolite solutions of N-acetyl aspartate (NAA) and creatine (Cr) in a vertical row inside a cylindrical phantom filled with water. Peak areas of three singlets of NAA and Cr were measured on three 1 H spectra at three volume of interests (VOIs) inside three bottles. We also measured a series of water spectra with a shifted carrier frequency and measured a reception sensitivity map. The ratios of NAA and Cr at 3.92 ppm to Cr at 3.01 ppm differed amongst the three VOIs in peak area, which leads to a position-dependent error. The nature of slope depicting the relationship between peak areas and the shifted values of frequency was like that between the reception sensitivities and displacement at every VOI. CSD and inhomogeneity of reception sensitivity cause amplitude modulation along the direction of chemical shift on the spectra, resulting in a quantitation error. This error may be more significant at higher B 0 field where CSD and B 1 inhomogeneity are more severe. This error may also occur in reception using a surface coil having inhomogeneous B 1 . Since this type of error is around a few percent, the data should be analyzed with greater attention while discussing small differences in the studies of 1 H MRS.

The slightly-enriched spectral shift control reactor. Final report, September 30, 1988--September 30, 1991

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

Martin, W.R.; Lee, J.C.; Larsen, E.W.

1991-11-01

An advanced converter reactor design utilizing mechanical spectral shift control rods in a conventional pressurized water reactor configuration is under investigation. The design is based on the principle that a harder spectrum during the early part of the fuel cycle will result in large neutron captures in fertile {sup 238}U, which can then be burned in situ in a softer spectrum later in the cycle. Preliminary design calculations performed during FY 89 showed that the slightly-enriched spectral shift reactor design offers the benefit of substantially increased fuel resource utilization with the proven safety characteristics of the pressurized water reactor technologymore » retained. Optimization of the fuel design and development of fuel management strategies were carried out in FY 90, along with effort to develop and validate neutronic methodology for tight-lattice configurations with hard spectra. During FY 91, the final year of the grant, the final Slightly-Enriched Spectral Shift Reactor (SESSR) design was determined, and reference design analyses were performed for the assemblies as well as the global core configuration, both at the beginning of cycle (BOC) and with depletion. The final SESSR design results in approximately a 20% increase in the utilization of uranium resources, based on equilibrium fuel cycle analyses. Acceptable pin power peaking is obtained with the final core design, with assembly peaking factors equal to less than 1.04 for spectral shift control rods both inserted and withdrawn, and global peaking factors at BOC predicted to be 1.4. In addition, a negative Moderation Temperature Coefficient (MTC) is maintained for BOC, which is difficult to achieve with conventional advanced converter designs based on a closed fuel cycle. The SESSR design avoids the need for burnable poison absorber, although they could be added if desired to increase the cycle length while maintaining a negative MTC.« less

Proteomic patterns for classification of ovarian cancer and CTCL serum samples utilizing peak pairs indicative of post-translational modifications.

PubMed

Liu, Chenwei; Shea, Nancy; Rucker, Sally; Harvey, Linda; Russo, Paul; Saul, Richard; Lopez, Mary F; Mikulskis, Alvydas; Kuzdzal, Scott; Golenko, Eva; Fishman, David; Vonderheid, Eric; Booher, Susan; Cowen, Edward W; Hwang, Sam T; Whiteley, Gordon R

2007-11-01

Proteomic patterns as a potential diagnostic technology has been well established for several cancer conditions and other diseases. The use of machine learning techniques such as decision trees, neural networks, genetic algorithms, and other methods has been the basis for pattern determination. Cancer is known to involve signaling pathways that are regulated through PTM of proteins. These modifications are also detectable with high confidence using high-resolution MS. We generated data using a prOTOF mass spectrometer on two sets of patient samples: ovarian cancer and cutaneous t-cell lymphoma (CTCL) with matched normal samples for each disease. Using the knowledge of mass shifts caused by common modifications, we built models using peak pairs and compared this to a conventional technique using individual peaks. The results for each disease showed that a small number of peak pairs gave classification equal to or better than the conventional technique that used multiple individual peaks. This simple peak picking technique could be used to guide identification of important peak pairs involved in the disease process.

WaVPeak: picking NMR peaks through wavelet-based smoothing and volume-based filtering.

PubMed

Liu, Zhi; Abbas, Ahmed; Jing, Bing-Yi; Gao, Xin

2012-04-01

Nuclear magnetic resonance (NMR) has been widely used as a powerful tool to determine the 3D structures of proteins in vivo. However, the post-spectra processing stage of NMR structure determination usually involves a tremendous amount of time and expert knowledge, which includes peak picking, chemical shift assignment and structure calculation steps. Detecting accurate peaks from the NMR spectra is a prerequisite for all following steps, and thus remains a key problem in automatic NMR structure determination. We introduce WaVPeak, a fully automatic peak detection method. WaVPeak first smoothes the given NMR spectrum by wavelets. The peaks are then identified as the local maxima. The false positive peaks are filtered out efficiently by considering the volume of the peaks. WaVPeak has two major advantages over the state-of-the-art peak-picking methods. First, through wavelet-based smoothing, WaVPeak does not eliminate any data point in the spectra. Therefore, WaVPeak is able to detect weak peaks that are embedded in the noise level. NMR spectroscopists need the most help isolating these weak peaks. Second, WaVPeak estimates the volume of the peaks to filter the false positives. This is more reliable than intensity-based filters that are widely used in existing methods. We evaluate the performance of WaVPeak on the benchmark set proposed by PICKY (Alipanahi et al., 2009), one of the most accurate methods in the literature. The dataset comprises 32 2D and 3D spectra from eight different proteins. Experimental results demonstrate that WaVPeak achieves an average of 96%, 91%, 88%, 76% and 85% recall on (15)N-HSQC, HNCO, HNCA, HNCACB and CBCA(CO)NH, respectively. When the same number of peaks are considered, WaVPeak significantly outperforms PICKY. WaVPeak is an open source program. The source code and two test spectra of WaVPeak are available at http://faculty.kaust.edu.sa/sites/xingao/Pages/Publications.aspx. The online server is under construction. statliuzhi

WaVPeak: picking NMR peaks through wavelet-based smoothing and volume-based filtering

PubMed Central

Liu, Zhi; Abbas, Ahmed; Jing, Bing-Yi; Gao, Xin

2012-01-01

Motivation: Nuclear magnetic resonance (NMR) has been widely used as a powerful tool to determine the 3D structures of proteins in vivo. However, the post-spectra processing stage of NMR structure determination usually involves a tremendous amount of time and expert knowledge, which includes peak picking, chemical shift assignment and structure calculation steps. Detecting accurate peaks from the NMR spectra is a prerequisite for all following steps, and thus remains a key problem in automatic NMR structure determination. Results: We introduce WaVPeak, a fully automatic peak detection method. WaVPeak first smoothes the given NMR spectrum by wavelets. The peaks are then identified as the local maxima. The false positive peaks are filtered out efficiently by considering the volume of the peaks. WaVPeak has two major advantages over the state-of-the-art peak-picking methods. First, through wavelet-based smoothing, WaVPeak does not eliminate any data point in the spectra. Therefore, WaVPeak is able to detect weak peaks that are embedded in the noise level. NMR spectroscopists need the most help isolating these weak peaks. Second, WaVPeak estimates the volume of the peaks to filter the false positives. This is more reliable than intensity-based filters that are widely used in existing methods. We evaluate the performance of WaVPeak on the benchmark set proposed by PICKY (Alipanahi et al., 2009), one of the most accurate methods in the literature. The dataset comprises 32 2D and 3D spectra from eight different proteins. Experimental results demonstrate that WaVPeak achieves an average of 96%, 91%, 88%, 76% and 85% recall on 15N-HSQC, HNCO, HNCA, HNCACB and CBCA(CO)NH, respectively. When the same number of peaks are considered, WaVPeak significantly outperforms PICKY. Availability: WaVPeak is an open source program. The source code and two test spectra of WaVPeak are available at http://faculty.kaust.edu.sa/sites/xingao/Pages/Publications.aspx. The online server is under

No effect of pinealectomy on the parallel shift in circadain rhythms of adrenocortical activity and food intake in blinded rats.

PubMed

Takahashi, K; Inoue, K; Takahashi, Y

1976-10-01

Twenty-four-hr patterns of plasma corticosterone levels were determined at 4-hr intervals every 3-4 weeks in sighted and blinded pinealectomized rats of adult age. Through the whole period of the experiment, 24-hr patterns of food intake were also measured weekly. The sighted rats manifested the same 24-hr patterns of plasma corticosterone levels and food intake for 15 weeks after pinealectomy as those observed in the intact control rats. The magnitude of peak levels of plasma corticosterone and the amount of food intake did not differ between the two groups. A phase shift in circadian rhythms of plasma corticosterone levels and food intake was observed in both groups of blinded rats, with and without pinealectomy. Between the two groups, the patterns of phase shift were essentially similar for 10 weeks examined after optic enucleation. The peak elevation of plasma levels took place at 11 p.m. at the end of the 4th week after optic enucleation. Thereafter, 4- to 8-hr delay of peak appearance was observed every 3 weeks. No significant differences were found in peak values between the two groups of blinded rats. Furthermore, the circadian rhythm of food intake shifted in parallel with that of plasma corticosterone levels. A phase reversal of these two activities was observed between the 8th and 10th week after the operation. These results indicate that the pineal gland does not play any important role either in the maintenance of normal circadian periodicities of adrenocortical activity and food intake or in the shift in circadian rhythms of the two activities in the blinded rats.

Trends and shifts in streamflow in Hawaii, 1913-2008

USGS Publications Warehouse

Bassiouni, Maoya; Oki, Delwyn S.

2013-01-01

This study addresses a need to document changes in streamflow and base flow (groundwater discharge to streams) in Hawai'i during the past century. Statistically significant long-term (1913-2008) downward trends were detected (using the nonparametric Mann-Kendall test) in low-streamflow and base-flow records. These long-term downward trends are likely related to a statistically significant downward shift around 1943 detected (using the nonparametric Pettitt test) in index records of streamflow and base flow. The downward shift corresponds to a decrease of 22% in median streamflow and a decrease of 23% in median base flow between the periods 1913-1943 and 1943-2008. The shift coincides with other local and regional factors, including a change from a positive to a negative phase in the Pacific Decadal Oscillation, shifts in the direction of the trade winds over Hawai'i, and a reforestation programme. The detected shift and long-term trends reflect region-wide changes in climatic and land-cover factors. A weak pattern of downward trends in base flows during the period 1943-2008 may indicate a continued decrease in base flows after the 1943 shift. Downward trends were detected more commonly in base-flow records than in high-streamflow, peak-flow, and rainfall records. The decrease in base flow is likely related to a decrease in groundwater storage and recharge and therefore is a valuable indicator of decreasing water availability and watershed vulnerability to hydrologic changes. Whether the downward trends will continue is largely uncertain given the uncertainty in climate-change projections and watershed responses to changes.

Crystal identification for a dual-layer-offset LYSO based PET system via Lu-176 background radiation and mean shift algorithm

NASA Astrophysics Data System (ADS)

Wei, Qingyang; Ma, Tianyu; Xu, Tianpeng; Zeng, Ming; Gu, Yu; Dai, Tiantian; Liu, Yaqiang

2018-01-01

Modern positron emission tomography (PET) detectors are made from pixelated scintillation crystal arrays and readout by Anger logic. The interaction position of the gamma-ray should be assigned to a crystal using a crystal position map or look-up table. Crystal identification is a critical procedure for pixelated PET systems. In this paper, we propose a novel crystal identification method for a dual-layer-offset LYSO based animal PET system via Lu-176 background radiation and mean shift algorithm. Single photon event data of the Lu-176 background radiation are acquired in list-mode for 3 h to generate a single photon flood map (SPFM). Coincidence events are obtained from the same data using time information to generate a coincidence flood map (CFM). The CFM is used to identify the peaks of the inner layer using the mean shift algorithm. The response of the inner layer is deducted from the SPFM by subtracting CFM. Then, the peaks of the outer layer are also identified using the mean shift algorithm. The automatically identified peaks are manually inspected by a graphical user interface program. Finally, a crystal position map is generated using a distance criterion based on these peaks. The proposed method is verified on the animal PET system with 48 detector blocks on a laptop with an Intel i7-5500U processor. The total runtime for whole system peak identification is 67.9 s. Results show that the automatic crystal identification has 99.98% and 99.09% accuracy for the peaks of the inner and outer layers of the whole system respectively. In conclusion, the proposed method is suitable for the dual-layer-offset lutetium based PET system to perform crystal identification instead of external radiation sources.

[Raman spectrum of nano-graphite synthesized by explosive detonation].

PubMed

Wen, Chao; Li, Xun; Sun, De-Yu; Guan, Jin-Qing; Liu, Xiao-Xin; Lin, Ying-Rui; Tang, Shi-Ying; Zhou, Gang; Lin, Jun-De; Jin, Zhi-Hao

2005-01-01

The nano-graphite powder synthesized by the detonation of explosives with negative oxygen balance is a new powder material with potential applications. In this work, the preparation of nano-graphite powder in steel chamber by pure TNT (trinitrotoluene) explosives has been introduced. In the synthesis process, the protective gases in the steel chamber are N2, CO2 and Ar, and the pressure is 0.25-2 atm. Raman spectrum of the nano-graphite was measured. The characteristic Raman band assigned to sp2 of graphite has been observed at about 1 585 cm(-1) with half-peak width of 22 cm(-1). The peak shifted to a higher frequency by 5 cm(-1) compared with that of bulk graphite. The authors explain this blue shift phenomenon by size effect. The average size of nanographite from Raman measurement is 2.97-3.97 nm. X-ray diffraction (XRD) and transmission electron microscopy (TEM) were used to measure the structure and particle size of the nano-graphite. The crystallite size of nano-graphite estimated from XRD andTEM are 2.58 nm (acid untreated) and 1.86 nm (acid treated) respectively, which is in accord with the results of the measurement approximately.

Study on accumulated crystallization characteristics of amorphous Ge2Sb2Te5 induced by multi-pulsed laser irradiations with different fluences

NASA Astrophysics Data System (ADS)

Fan, T.; Liu, F. R.; Li, W. Q.; Guo, J. C.; Wang, Y. H.; Sun, N. X.; Liu, F.

2018-07-01

Accumulated crystallization characteristics of amorphous Ge2Sb2Te5 (a-GST) films induced by multi-pulsed laser irradiations with different fluences were investigated by x-ray diffraction (XRD), Raman spectroscopy and spectrophotometer. Solid-state transformation was performed at low fluence (LF, 30.5 mJ cm‑2), whereas melting-cooling transformation dominated at medium and high fluence (MF, 45.7 and HF, 61 mJ cm‑2). Solid-state transformation induced by subsequent LF pulses promoted the growth and coalescence of grains, linearly increasing the average grain size, accordingly causing blue-shifts of the Raman spectral peaks. For MF/HF pulse irradiated films, the relatively high laser fluence increased the melting depth and reduced the volume fraction of the crystalline state induced by individual pulses, thereby increasing the threshold of laser pulse numbers for XRD detectable crystallization. However, the remelting depth induced by subsequent MF/HF laser pulse progressively decreased. The remelting-recrystallization process refined grain sizes, which improved the red-shifts of Raman spectral peaks. Moreover, optical contrast increased dramatically compared to single laser irradiation and five-level storage could be realized for a linear increase of optical contrast. The present study is fundamental for realizing the potential of multi-level devices.

Peak tree: a new tool for multiscale hierarchical representation and peak detection of mass spectrometry data.

PubMed

Zhang, Peng; Li, Houqiang; Wang, Honghui; Wong, Stephen T C; Zhou, Xiaobo

2011-01-01

Peak detection is one of the most important steps in mass spectrometry (MS) analysis. However, the detection result is greatly affected by severe spectrum variations. Unfortunately, most current peak detection methods are neither flexible enough to revise false detection results nor robust enough to resist spectrum variations. To improve flexibility, we introduce peak tree to represent the peak information in MS spectra. Each tree node is a peak judgment on a range of scales, and each tree decomposition, as a set of nodes, is a candidate peak detection result. To improve robustness, we combine peak detection and common peak alignment into a closed-loop framework, which finds the optimal decomposition via both peak intensity and common peak information. The common peak information is derived and loopily refined from the density clustering of the latest peak detection result. Finally, we present an improved ant colony optimization biomarker selection method to build a whole MS analysis system. Experiment shows that our peak detection method can better resist spectrum variations and provide higher sensitivity and lower false detection rates than conventional methods. The benefits from our peak-tree-based system for MS disease analysis are also proved on real SELDI data.

Correlated peak relative light intensity and peak current in triggered lightning subsequent return strokes

NASA Technical Reports Server (NTRS)

Idone, V. P.; Orville, R. E.

1985-01-01

The correlation between peak relative light intensity L(R) and stroke peak current I(R) is examined for 39 subsequent return strokes in two triggered lightning flashes. One flash contained 19 strokes and the other 20 strokes for which direct measurements were available of the return stroke peak current at ground. Peak currents ranged from 1.6 to 21 kA. The measurements of peak relative light intensity were obtained from photographic streak recordings using calibrated film and microsecond resolution. Correlations, significant at better than the 0.1 percent level, were found for several functional relationships. Although a relation between L(R) and I(R) is evident in these data, none of the analytical relations considered is clearly favored. The correlation between L(R) and the maximum rate of current rise is also examined, but less correlation than between L(R) and I(R) is found. In addition, the peak relative intensity near ground is evaluated for 22 dart leaders, and a mean ratio of peak dart leader to peak return stroke relative light intensity was found to be 0.1 with a range of 0.02-0.23. Using two different methods, the peak current near ground in these dart leaders is estimated to range from 0.1 to 6 kA.

XRD and FTIR crystallinity indices in sound human tooth enamel and synthetic hydroxyapatite.

PubMed

Reyes-Gasga, José; Martínez-Piñeiro, Esmeralda L; Rodríguez-Álvarez, Galois; Tiznado-Orozco, Gaby E; García-García, Ramiro; Brès, Etienne F

2013-12-01

The crystallinity index (CI) is a measure of the percentage of crystalline material in a given sample and it is also correlated to the degree of order within the crystals. In the literature two ways are reported to measure the CI: X-ray diffraction and infrared spectroscopy. Although the CI determined by these techniques has been adopted in the field of archeology as a structural order measure in the bone with the idea that it can help e.g. in the sequencing of the bones in chronological and/or stratigraphic order, some debate remains about the reliability of the CI values. To investigate similarities and differences between the two techniques, the CI of sound human tooth enamel and synthetic hydroxyapatite (HAP) was measured in this work by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), at room temperature and after heat treatment. Although the (CI)XRD index is related to the crystal structure of the samples and the (CI)FTIR index is related to the vibration modes of the molecular bonds, both indices showed similar qualitative behavior for heat-treated samples. At room temperature, the (CI)XRD value indicated that enamel is more crystalline than synthetic HAP, while (CI)FTIR indicated the opposite. Scanning (SEM) and transmission (TEM) images were also used to corroborate the measured CI values. © 2013.

Frequency shift of the Bragg and Non-Bragg backscattering from periodic water wave

NASA Astrophysics Data System (ADS)

Wen, Biyang; Li, Ke

2016-08-01

Doppler effect is used to measure the relative speed of a moving target with respect to the radar, and is also used to interpret the frequency shift of the backscattering from the ocean wave according to the water-wave phase velocity. The widely known relationship between the Doppler shift and the water-wave phase velocity was deduced from the scattering measurements data collected from actual sea surface, and has not been verified under man-made conditions. Here we show that this ob- served frequency shift of the scattering data from the Bragg and Non-Bragg water wave is not the Doppler shift corresponding to the water-wave phase velocity as commonly believed, but is the water-wave frequency and its integral multiple frequency. The power spectrum of the backscatter from the periodic water wave consists of serials discrete peaks, which is equally spaced by water wave frequency. Only when the water-wave length is the integer multiples of the Bragg wave, and the radar range resolution is infinite, does the frequency shift of the backscattering mathematically equal the Doppler shift according to the water-wave phase velocity.

Giant increase in the metal-enhanced fluorescence of organic molecules in nanoporous alumina templates and large molecule-specific red/blue-shift of the fluorescence peak.

PubMed

Sarkar, S; Kanchibotla, B; Nelson, J D; Edwards, J D; Anderson, J; Tepper, G C; Bandyopadhyay, S

2014-10-08

The fluorescence of organic fluorophore molecules is enhanced when they are placed in contact with certain metals (Al, Ag, Cu, Au, etc.) whose surface plasmon waves couple into the radiative modes of the molecules and increase the radiative efficiency. Here, we report a hitherto unknown size dependence of this metal-enhanced fluorescence (MEF) effect in the nanoscale. When the molecules are deposited in nanoporous anodic alumina films with exposed aluminum at the bottom of the pores, they form organic nanowires standing on aluminum nanoparticles whose plasmon waves have much larger amplitudes. This increases the MEF strongly, resulting in several orders of magnitude increase in the fluorescence intensity of the organic fluorophores. The increase in intensity shows an inverse superlinear dependence on nanowire diameter because the nanowires also act as plasmonic "waveguides" that concentrate the plasmons and increase the coupling of the plasmons with the radiative modes of the molecules. Furthermore, if the nanoporous template housing the nanowires has built-in electric fields due to space charges, a strong molecule-specific red- or blue-shift is induced in the fluorescence peak owing to a renormalization of the dipole moment of the molecule. This can be exploited to detect minute amounts of target molecules in a mixture using their optical signature (fluorescence) despite the presence of confounding background signals. It can result in a unique new technology for biosensing and chemical sensing.

Influence of etching current density on microstructural, optical and electrical properties of porous silicon (PS):n-Si heterostructure

NASA Astrophysics Data System (ADS)

Das, M.; Nath, P.; Sarkar, D.

2016-02-01

In this article effect of etching current density (J) on the microstructural, optical and electrical properties of photoelectrochemically prepared heterostructure is reported. Prepared samples are characterized by FESEM, XRD, UV-Visible, Raman and photoluminescence (PL) spectra and current-voltage (I-V) characteristics. FESEM shows presence of mixture of randomly distributed meso- and micro-pores. Porous layer thickness determined by cross section view of SEM is proportional to J. XRD shows crystalline nature but gradually extent of crystallinity decreases with increasing J. Raman spectra show large red-shift and asymmetric broadening with respect to crystalline silicon (c-Si). UV-visible reflectance and PL show blue shift in peaks with increasing J. The I-V characteristics are analyzed by the conventional thermionic emission (TE) model and Cheung's model to estimate the barrier height (φb), ideality factor (n) and series resistance (Rs) for comparison between the two models. The latter model is found to fit better.

Pikes Peak, Colorado

USGS Publications Warehouse

Brunstein, Craig; Quesenberry, Carol; Davis, John; Jackson, Gene; Scott, Glenn R.; D'Erchia, Terry D.; Swibas, Ed; Carter, Lorna; McKinney, Kevin; Cole, Jim

2006-01-01

For 200 years, Pikes Peak has been a symbol of America's Western Frontier--a beacon that drew prospectors during the great 1859-60 Gold Rush to the 'Pikes Peak country,' the scenic destination for hundreds of thousands of visitors each year, and an enduring source of pride for cities in the region, the State of Colorado, and the Nation. November 2006 marks the 200th anniversary of the Zebulon M. Pike expedition's first sighting of what has become one of the world's most famous mountains--Pikes Peak. In the decades following that sighting, Pikes Peak became symbolic of America's Western Frontier, embodying the spirit of Native Americans, early explorers, trappers, and traders who traversed the vast uncharted wilderness of the Western Great Plains and the Southern Rocky Mountains. High-quality printed paper copies of this poster are available at no cost from Information Services, U.S. Geological Survey (1-888-ASK-USGS).

Synthesis, structural and optical properties of PVP coated transition metal doped ZnS nanoparticles

NASA Astrophysics Data System (ADS)

Desai, N. V.; Shaikh, I. A.; Rawal, K. G.; Shah, D. V.

2018-05-01

The room temperature photoluminescence (PL) of transition metal doped ZnS nanoparticles is investigated in the present study. The PVP coated ZnS nanoparticles doped with transition metals are synthesized by facile wet chemical co-precipitation method with the concentration of impurity 1%. The UV-Vis absorbance spectra have a peak at 324nm which shifts slightly to 321nm upon introduction of the impurity. The incorporation of the transition metal as dopant is confirmed by X-ray diffraction (XRD) and energy dispersive spectroscopy (EDS). The particle size and the morphology are characterized by scanning electron microscopy (SEM), XRD and UV-Vis spectroscopy. The average size of synthesized nanoparticles is about 2.6nm. The room temperature photoluminescence (PL) of undoped and doped ZnS nanoparticles show a strong and sharp peak at 782nm and 781.6nm respectively. The intensity of the PL changes with the type of doping having maximum for manganese (Mn).

A novel peak detection approach with chemical noise removal using short-time FFT for prOTOF MS data.

PubMed

Zhang, Shuqin; Wang, Honghui; Zhou, Xiaobo; Hoehn, Gerard T; DeGraba, Thomas J; Gonzales, Denise A; Suffredini, Anthony F; Ching, Wai-Ki; Ng, Michael K; Wong, Stephen T C

2009-08-01

Peak detection is a pivotal first step in biomarker discovery from MS data and can significantly influence the results of downstream data analysis steps. We developed a novel automatic peak detection method for prOTOF MS data, which does not require a priori knowledge of protein masses. Random noise is removed by an undecimated wavelet transform and chemical noise is attenuated by an adaptive short-time discrete Fourier transform. Isotopic peaks corresponding to a single protein are combined by extracting an envelope over them. Depending on the S/N, the desired peaks in each individual spectrum are detected and those with the highest intensity among their peak clusters are recorded. The common peaks among all the spectra are identified by choosing an appropriate cut-off threshold in the complete linkage hierarchical clustering. To remove the 1 Da shifting of the peaks, the peak corresponding to the same protein is determined as the detected peak with the largest number among its neighborhood. We validated this method using a data set of serial peptide and protein calibration standards. Compared with MoverZ program, our new method detects more peaks and significantly enhances S/N of the peak after the chemical noise removal. We then successfully applied this method to a data set from prOTOF MS spectra of albumin and albumin-bound proteins from serum samples of 59 patients with carotid artery disease compared to vascular disease-free patients to detect peaks with S/N> or =2. Our method is easily implemented and is highly effective to define peaks that will be used for disease classification or to highlight potential biomarkers.

Peak Experience Project

ERIC Educational Resources Information Center

Scott, Daniel G.; Evans, Jessica

2010-01-01

This paper emerges from the continued analysis of data collected in a series of international studies concerning Childhood Peak Experiences (CPEs) based on developments in understanding peak experiences in Maslow's hierarchy of needs initiated by Dr Edward Hoffman. Bridging from the series of studies, Canadian researchers explore collected…

PONDEROSA, an automated 3D-NOESY peak picking program, enables automated protein structure determination.

PubMed

Lee, Woonghee; Kim, Jin Hae; Westler, William M; Markley, John L

2011-06-15

PONDEROSA (Peak-picking Of Noe Data Enabled by Restriction of Shift Assignments) accepts input information consisting of a protein sequence, backbone and sidechain NMR resonance assignments, and 3D-NOESY ((13)C-edited and/or (15)N-edited) spectra, and returns assignments of NOESY crosspeaks, distance and angle constraints, and a reliable NMR structure represented by a family of conformers. PONDEROSA incorporates and integrates external software packages (TALOS+, STRIDE and CYANA) to carry out different steps in the structure determination. PONDEROSA implements internal functions that identify and validate NOESY peak assignments and assess the quality of the calculated three-dimensional structure of the protein. The robustness of the analysis results from PONDEROSA's hierarchical processing steps that involve iterative interaction among the internal and external modules. PONDEROSA supports a variety of input formats: SPARKY assignment table (.shifts) and spectrum file formats (.ucsf), XEASY proton file format (.prot), and NMR-STAR format (.star). To demonstrate the utility of PONDEROSA, we used the package to determine 3D structures of two proteins: human ubiquitin and Escherichia coli iron-sulfur scaffold protein variant IscU(D39A). The automatically generated structural constraints and ensembles of conformers were as good as or better than those determined previously by much less automated means. The program, in the form of binary code along with tutorials and reference manuals, is available at http://ponderosa.nmrfam.wisc.edu/.

Influence of shift work on the physical work capacity of Tunisian nurses: a cross-sectional study in two university hospitals.

PubMed

Merchaoui, Irtyah; Bouzgarrou, Lamia; Mnasri, Ahlem; Mghanem, Mounir; Akrout, Mohamed; Malchaire, Jacques; Chaari, Neila

2017-01-01

This study has been performed to determine the influence of rotating shift work on physical working capacity of Tunisian nurses and to design recommendations to managers so that they implement effective preventive measures. It is a cross-sectional design using a standardized questionnaire and many physical capacity tests on a representative sample of 1181 nurses and nursing assistants from two university hospital centers of the school of Medicine of Monastir located in the Tunisian Sahel. 293 participants have been recruited by stratified random sampling according to gender and departments. Maximum Grip strength, 30s sit-to-stand test, one leg test, Fingertip-to-Floor test, Saltsa test and peak expiratory flow were used to assess physical capacity. Work ability was assessed through the workability index. Mental and physical loads were heavily perceived in shift healthcare workers (p=0.01; p=0.02). The maximum grip force was stronger in rotating shift work nurses (p=0.0001). Regarding to the seniority subgroups in each kind of work schedule, the Body Mass Index was increasing with seniority in both schedules. All the physical tests, were better in less-than-ten-year groups. Peak Flow and grip strength were significantly better in less-than-ten-year seniority in shift work group. There is a need to improve the design of the existing shift systems and to reduce as much as possible shift schedule as well as to avoid shift schedule for over-10-year-seniority nurses.

Accuracy of the dose-shift approximation in estimating the delivered dose in SBRT of lung tumors considering setup errors and breathing motions.

PubMed

Karlsson, Kristin; Lax, Ingmar; Lindbäck, Elias; Poludniowski, Gavin

2017-09-01

Geometrical uncertainties can result in a delivered dose to the tumor different from that estimated in the static treatment plan. The purpose of this project was to investigate the accuracy of the dose calculated to the clinical target volume (CTV) with the dose-shift approximation, in stereotactic body radiation therapy (SBRT) of lung tumors considering setup errors and breathing motion. The dose-shift method was compared with a beam-shift method with dose recalculation. Included were 10 patients (10 tumors) selected to represent a variety of SBRT-treated lung tumors in terms of tumor location, CTV volume, and tumor density. An in-house developed toolkit within a treatment planning system allowed the shift of either the dose matrix or a shift of the beam isocenter with dose recalculation, to simulate setup errors and breathing motion. Setup shifts of different magnitudes (up to 10 mm) and directions as well as breathing with different peak-to-peak amplitudes (up to 10:5:5 mm) were modeled. The resulting dose-volume histograms (DVHs) were recorded and dose statistics were extracted. Generally, both the dose-shift and beam-shift methods resulted in calculated doses lower than the static planned dose, although the minimum (D 98% ) dose exceeded the prescribed dose in all cases, for setup shifts up to 5 mm. The dose-shift method also generally underestimated the dose compared with the beam-shift method. For clinically realistic systematic displacements of less than 5 mm, the results demonstrated that in the minimum dose region within the CTV, the dose-shift method was accurate to 2% (root-mean-square error). Breathing motion only marginally degraded the dose distributions. Averaged over the patients and shift directions, the dose-shift approximation was determined to be accurate to approximately 2% (RMS) within the CTV, for clinically relevant geometrical uncertainties for SBRT of lung tumors.

Femtosecond-pulse inscription of fiber Bragg gratings with single or multiple phase-shifts in the structure

NASA Astrophysics Data System (ADS)

Wolf, Alexey; Dostovalov, Alexandr; Skvortsov, Mikhail; Raspopin, Kirill; Parygin, Alexandr; Babin, Sergey

2018-05-01

In this work, long high-quality fiber Bragg gratings with phase shifts in the structure are inscribed directly in the optical fiber by point-by-point technique using femtosecond laser pulses. Phase shifts are introduced during the inscription process with a piezoelectric actuator, which rapidly shifts the fiber along the direction of its movement in a chosen point of the grating with a chosen shift value. As examples, single and double π phase shifts are introduced in fiber Bragg gratings with a length up to 34 mm in passive fibers, which provide corresponding transmission peaks with bandwidth less than 1 pm. It is shown that 37 mm π -phase-shifted grating inscribed in an active Er-doped fiber forms high-quality DFB laser cavity generating single-frequency radiation at 1550 nm with bandwidth of 20 kHz and signal-to-noise ratio of >70 dB. The inscription technique has a high degree of performance and flexibility and can be easily implemented in fibers of various types.

Conformationally selective multidimensional chemical shift ranges in proteins from a PACSY database purged using intrinsic quality criteria

PubMed Central

Hong, Mei

2016-01-01

We have determined refined multidimensional chemical shift ranges for intra-residue correlations (13C–13C, 15N–13C, etc.) in proteins, which can be used to gain type-assignment and/or secondary-structure information from experimental NMR spectra. The chemical-shift ranges are the result of a statistical analysis of the PACSY database of >3000 proteins with 3D structures (1,200,207 13C chemical shifts and >3 million chemical shifts in total); these data were originally derived from the Biological Magnetic Resonance Data Bank. Using relatively simple non-parametric statistics to find peak maxima in the distributions of helix, sheet, coil and turn chemical shifts, and without the use of limited “hand-picked” data sets, we show that ~94 % of the 13C NMR data and almost all 15N data are quite accurately referenced and assigned, with smaller standard deviations (0.2 and 0.8 ppm, respectively) than recognized previously. On the other hand, approximately 6 % of the 13C chemical shift data in the PACSY database are shown to be clearly misreferenced, mostly by ca. −2.4 ppm. The removal of the misreferenced data and other outliers by this purging by intrinsic quality criteria (PIQC) allows for reliable identification of secondary maxima in the two-dimensional chemical-shift distributions already pre-separated by secondary structure. We demonstrate that some of these correspond to specific regions in the Ramachandran plot, including left-handed helix dihedral angles, reflect unusual hydrogen bonding, or are due to the influence of a following proline residue. With appropriate smoothing, significantly more tightly defined chemical shift ranges are obtained for each amino acid type in the different secondary structures. These chemical shift ranges, which may be defined at any statistical threshold, can be used for amino-acid type assignment and secondary-structure analysis of chemical shifts from intra-residue cross peaks by inspection or by using a provided command

A Study on Factors Affecting Strength of Solidified Peat through XRD and FESEM Analysis

NASA Astrophysics Data System (ADS)

Rahman, J. A.; Napia, A. M. A.; Nazri, M. A. A.; Mohamed, R. M. S. R.; Al-Geethi, A. S.

2018-04-01

Peat is soft soil that often causes multiple problems to construction. Peat has low shear strength and high deformation characteristics. Thus, peat soil needs to be stabilized or treated. Study on peat stabilization has been conducted for decades with various admixtures and mixing formulations. This project intends to provide an overview of the solidification of peat soil and the factors that affecting the strength of solidified peat soil. Three types of peats which are fabric, hemic and sapric were used in this study to understand the differences on the effect. The understanding of the factors affecting strength of solidified peat in this study is limited to XRD and FESEM analysis only. Peat samples were collected at Pontian, Johor and Parit Raja, Johor. Peat soil was solidified using fly ash, bottom ash and Portland cement with two mixing formulation following literature review. The solidified peat were cured for 7 days, 14 days, 28 days and 56 days. All samples were tested using Unconfined Compressive Strength Test (UCS), X-ray diffraction (XRD) and Field Emission Scanning Electron Microscope (FESEM). The compressive strength test of solidified peat had shown consistently increase of sheer strength, qu for Mixing 1 while decrease of its compressive strength value for Mixing 2. All samples were tested and compared for each curing days. Through XRD, it is found that all solidified peat are dominated with pargasite and richterite. The highest qu is Fabric Mixing 1(FM1) with the value of 105.94 kPa. This sample were proven contain pargasite. Samples with high qu were observed to be having fly ash and bottom ash bound together with the help of pargasite. Sample with decreasing strength showed less amount of pargasite in it. In can be concluded that XRD and FESEM findings are in line with UCS values.

Kinematics and eye-head coordination of gaze shifts evoked from different sites in the superior colliculus of the cat.

PubMed

Guillaume, Alain; Pélisson, Denis

2006-12-15

Shifting gaze requires precise coordination of eye and head movements. It is clear that the superior colliculus (SC) is involved with saccadic gaze shifts. Here we investigate its role in controlling both eye and head movements during gaze shifts. Gaze shifts of the same amplitude can be evoked from different SC sites by controlled electrical microstimulation. To describe how the SC coordinates the eye and the head, we compare the characteristics of these amplitude-matched gaze shifts evoked from different SC sites. We show that matched amplitude gaze shifts elicited from progressively more caudal sites are progressively slower and associated with a greater head contribution. Stimulation at more caudal SC sites decreased the peak velocity of the eye but not of the head, suggesting that the lower peak gaze velocity for the caudal sites is due to the increased contribution of the slower-moving head. Eye-head coordination across the SC motor map is also indicated by the relative latencies of the eye and head movements. For some amplitudes of gaze shift, rostral stimulation evoked eye movement before head movement, whereas this reversed with caudal stimulation, which caused the head to move before the eyes. These results show that gaze shifts of similar amplitude evoked from different SC sites are produced with different kinematics and coordination of eye and head movements. In other words, gaze shifts evoked from different SC sites follow different amplitude-velocity curves, with different eye-head contributions. These findings shed light on mechanisms used by the central nervous system to translate a high-level motor representation (a desired gaze displacement on the SC map) into motor commands appropriate for the involved body segments (the eye and the head).

[Determination of critical micelle concentration of alkyl polyglucoside (APG) nonionic surfactant aqueous system by multi-peaks Gaussian fitting of visible absorption spectra line shape].

PubMed

Zhang, Jian-Hua; Kong, Kai-Qing; He, Zheng-Ling; Liu, Zi-Li

2007-07-01

A multi-peaks Gaussian fitting on the line shape of visible spectra was used to determine the critical micelle concentration (CMC) of alkyl polyglucoside (APG) nonionic surfactant aqueous system such as octyl beta D mono-glucoside (C8 G1) and decyl beta D mono-glucoside (C10 G1). Visible electronic absorption spectra of a series of different concentration C8G1 or C10G1 with crystal violet (CV) used as a probe were measured respectively and characterized by the overlap of the principal peak with lambda(max) at 598-609 nm and a shoulder at 538-569 nm assigned to monomer and dimer CV respectively. A multi-peaks Gaussian fitting was used to interpret the spectra and give relative integrating absorbance (A2/A1) of two peaks, red-shift (deltalambda) and half-width. A sudden change occurred at CMC in the curves of the relative integrating absorbance (A2/A1), red-shift (deltalambda) and half-width (w1, w2) versus the C8G1 or C10G1 surfactant concentrations. Significantly the dependence of the CMC upon the half-width was ob-served for the first time and successfully used to determine CMC of nonionic surfactant such as APG.

Anti-islanding protection using a twin-peak band-pass filter in interconnected PV systems, and substantiating evaluations

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

Ishida, T.; Hagihara, R.; Yugo, M.

1994-12-31

The authors have successfully developed and industrialized a new frequency-shift anti-islanding protection method using a twin-peak band-pass filter (BPF) for grid-interconnected photovoltaic (PV) systems. In this method, the power conditioner has a twin-peak BPF in a current feed back loop in place of the normal BPF. The new method works perfectly for various kinds of loads such as resistance, inductive and capacitive loads connected to the PV system. Furthermore, because there are no mis-detections, the system enables the most effective generation of electric energy from solar cells. A power conditioner equipped with this protection was officially certified as suitable formore » grid-interconnection.« less

Measurement of Ultracold Neutrons Produced by Using Doppler-shifted Bragg Reflection at a Pulsed-neutron Source

DOE R&D Accomplishments Database

Brun, T. O.; Carpenter, J. M.; Krohn, V. E.; Ringo, G. R.; Cronin, J. W.; Dombeck, T. W.; Lynn, J. W.; Werner, S. A.

1979-01-01

Ultracold neutrons (UCN) have been produced at the Argonne pulsed-neutron source by the Doppler shift of 400-m/s neutrons Bragg reflected from a moving crystal. The peak density of UCN produced at the crystal exceeds 0.1 n/cm{sup 3}.

XRD and FTIR structural investigation of gadolinium-zinc-borate glass ceramics

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

Borodi, G.; Pascuta, P.; Dan, V.

2013-11-13

X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy measurements have been employed to investigate the (Gd{sub 2}O{sub 3}){sub x}⋅(B{sub 2}O{sub 3}){sub (60−x)}⋅(ZnO){sub 40} glass ceramics system, with 0 ≤ x ≤ 15 mol%. After heat treatment applied at 860 °C for 2 h, some structural changes were observed and new crystalline phases appeared in the structure of the samples. In these glass ceramics four crystalline phases were identified using powder diffraction files (PDF 2), namely ZnB{sub 4}O{sub 7}, Zn{sub 4}O(B{sub 6}O{sub 12}), Zn{sub 3}(BO{sub 3}){sub 2} and GdBO{sub 3}. From the XRD data, the average unit-cell parameter and themore » quantitative ratio of the crystallographic phases in the studied samples were evaluated. FTIR data revealed that the BO{sub 3}, BO{sub 4} and ZnO{sub 4} are the main structural units of these glass ceramics network. The compositional dependence of the different structural units which appear in the studied samples was followed.« less

Double peak-induced distance error in short-time-Fourier-transform-Brillouin optical time domain reflectometers event detection and the recovery method.

PubMed

Yu, Yifei; Luo, Linqing; Li, Bo; Guo, Linfeng; Yan, Jize; Soga, Kenichi

2015-10-01

The measured distance error caused by double peaks in the BOTDRs (Brillouin optical time domain reflectometers) system is a kind of Brillouin scattering spectrum (BSS) deformation, discussed and simulated for the first time in the paper, to the best of the authors' knowledge. Double peak, as a kind of Brillouin spectrum deformation, is important in the enhancement of spatial resolution, measurement accuracy, and crack detection. Due to the variances of the peak powers of the BSS along the fiber, the measured starting point of a step-shape frequency transition region is shifted and results in distance errors. Zero-padded short-time-Fourier-transform (STFT) can restore the transition-induced double peaks in the asymmetric and deformed BSS, thus offering more accurate and quicker measurements than the conventional Lorentz-fitting method. The recovering method based on the double-peak detection and corresponding BSS deformation can be applied to calculate the real starting point, which can improve the distance accuracy of the STFT-based BOTDR system.

The effects of acute alcohol on psychomotor, set-shifting, and working memory performance in older men and women.

PubMed

Hoffman, Lauren A; Sklar, Alfredo L; Nixon, Sara Jo

2015-05-01

A limited number of publications have documented the effects of acute alcohol administration among older adults. Among these, only a few have investigated sex differences within this population. The current project examined the behavioral effects of acute low- and moderate-dose alcohol on 62 older (ages 55-70) male and female, healthy, light to moderate drinkers. Participants were randomly assigned to one of three dose conditions: placebo (peak breath alcohol concentration [BrAC] of 0 mg/dL), low (peak BrAC of 40 mg/dL), and moderate (peak BrAC of 65 mg/dL). Tasks assessed psychomotor, set-shifting, and working memory performance. Better set-shifting abilities were observed among women, whereas men demonstrated more efficient working memory, regardless of dose. The moderate-dose group did not significantly differ from the placebo group on any task. However, the low-dose group performed better than the moderate-dose group across measures of set shifting and working memory. Relative to the placebo group, the low-dose group exhibited better working memory, specifically for faces. Interestingly, there were no sex by dose interactions. These data suggest that, at least for our study's task demands, low and moderate doses of alcohol do not significantly hinder psychomotor, set-shifting, or working memory performance among older adults. In fact, low-dose alcohol may facilitate certain cognitive abilities. Furthermore, although sex differences in cognitive abilities were observed, these alcohol doses did not differentially affect men and women. Further investigation is necessary to better characterize the effects of sex and alcohol dose on cognition in older adults. Copyright © 2015 Elsevier Inc. All rights reserved.

Dynamical resonance shift and unification of resonances in short-pulse laser-cluster interaction

NASA Astrophysics Data System (ADS)

Mahalik, S. S.; Kundu, M.

2018-06-01

Pronounced maximum absorption of laser light irradiating a rare-gas or metal cluster is widely expected during the linear resonance (LR) when Mie-plasma wavelength λM of electrons equals the laser wavelength λ . On the contrary, by performing molecular dynamics (MD) simulations of an argon cluster irradiated by short 5-fs (FWHM) laser pulses it is revealed that, for a given laser pulse energy and a cluster, at each peak intensity there exists a λ —shifted from the expected λM—that corresponds to a unified dynamical LR at which evolution of the cluster happens through very efficient unification of possible resonances in various stages, including (i) the LR in the initial time of plasma creation, (ii) the LR in the Coulomb expanding phase in the later time, and (iii) anharmonic resonance in the marginally overdense regime for a relatively longer pulse duration, leading to maximum laser absorption accompanied by maximum removal of electrons from cluster and also maximum allowed average charge states for the argon cluster. Increasing the laser intensity, the absorption maxima is found to shift to a higher wavelength in the band of λ ≈(1 -1.5 ) λM than permanently staying at the expected λM. A naive rigid sphere model also corroborates the wavelength shift of the absorption peak as found in MD and unequivocally proves that maximum laser absorption in a cluster happens at a shifted λ in the marginally overdense regime of λ ≈(1 -1.5 ) λM instead of λM of LR. The present study is important for guiding an optimal condition laser-cluster interaction experiment in the short-pulse regime.

Peak high-frequency HRV and peak alpha frequency higher in PTSD.

PubMed

Wahbeh, Helané; Oken, Barry S

2013-03-01

Posttraumatic stress disorder (PTSD) is difficult to treat and current PTSD treatments are not effective for all people. Despite limited evidence for its efficacy, some clinicians have implemented biofeedback for PTSD treatment. As a first step in constructing an effective biofeedback treatment program, we assessed respiration, electroencephalography (EEG) and heart rate variability (HRV) as potential biofeedback parameters for a future clinical trial. This cross-sectional study included 86 veterans; 59 with and 27 without PTSD. Data were collected on EEG measures, HRV, and respiration rate during an attentive resting state. Measures were analyzed to assess sensitivity to PTSD status and the relationship to PTSD symptoms. Peak alpha frequency was higher in the PTSD group (F(1,84) = 6.14, p = 0.01). Peak high-frequency HRV was lower in the PTSD group (F(2,78) = 26.5, p < 0.00005) when adjusting for respiration rate. All other EEG and HRV measures and respiration were not different between groups. Peak high-frequency HRV and peak alpha frequency are sensitive to PTSD status and may be potential biofeedback parameters for future PTSD clinical trials.

The load shift potential of plug-in electric vehicles with different amounts of charging infrastructure

NASA Astrophysics Data System (ADS)

Gnann, Till; Klingler, Anna-Lena; Kühnbach, Matthias

2018-06-01

Plug-in electric vehicles are the currently favoured option to decarbonize the passenger car sector. However, a decarbonisation is only possible with electricity from renewable energies and plug-in electric vehicles might cause peak loads if they started to charge at the same time. Both these issues could be solved with coordinated load shifting (demand response). Previous studies analyzed this research question by focusing on private vehicles with domestic and work charging infrastructure. This study additionally includes the important early adopter group of commercial fleet vehicles and reflects the impact of domestic, commercial, work and public charging. For this purpose, two models are combined. In a comparison of three scenarios, we find that charging of commercial vehicles does not inflict evening load peaks in the same magnitude as purely domestic charging of private cars does. Also for private cars, charging at work occurs during the day and may reduce the necessity of load shifting while public charging plays a less important role in total charging demand as well as load shifting potential. Nonetheless, demand response reduces the system load by about 2.2 GW or 2.8% when domestic and work charging are considered compared to a scenario with only domestic charging.

Measuring Your Peak Flow Rate

MedlinePlus

... Living with Asthma > Managing Asthma Measuring Your Peak Flow Rate Download Instructions A peak flow meter is ... to use. Who Benefits from Using a Peak Flow Meter? Many healthcare providers believe that people who ...

Separation of overlapping vibrational peaks in terahertz spectra using two-dimensional correlation spectroscopy

NASA Astrophysics Data System (ADS)

Hoshina, Hiromichi; Ishii, Shinya; Otani, Chiko

2014-07-01

In this study, the terahertz (THz) absorption spectra of poly(3-hydroxybutyrate) (PHB) were measured during isothermal crystallization at 90-120 °C. The temporal changes in the absorption spectra were analyzed using two-dimensional correlation spectroscopy (2DCOS). In the asynchronous plot, cross peaks were observed around 2.4 THz, suggesting that two vibrational modes overlap in the raw spectrum. By comparing this to the peak at 2.9 THz corresponding to the stretching mode of the helical structure of PHB and the assignment obtained using polarization spectroscopy, we concluded that the high-frequency band could be attributed to the vibration of the helical structure and the low-frequency band to the vibration between the helical structures. The exact frequencies of the overlapping vibrational bands and their assignments provide a new means to inspect the thermal behavior of the intermolecular vibrational modes. The large red-shift of the interhelix vibrational mode suggests a large anharmonicity in the vibrational potential.

A Fiber Bragg Grating Interrogation System with Self-Adaption Threshold Peak Detection Algorithm.

PubMed

Zhang, Weifang; Li, Yingwu; Jin, Bo; Ren, Feifei; Wang, Hongxun; Dai, Wei

2018-04-08

A Fiber Bragg Grating (FBG) interrogation system with a self-adaption threshold peak detection algorithm is proposed and experimentally demonstrated in this study. This system is composed of a field programmable gate array (FPGA) and advanced RISC machine (ARM) platform, tunable Fabry-Perot (F-P) filter and optical switch. To improve system resolution, the F-P filter was employed. As this filter is non-linear, this causes the shifting of central wavelengths with the deviation compensated by the parts of the circuit. Time-division multiplexing (TDM) of FBG sensors is achieved by an optical switch, with the system able to realize the combination of 256 FBG sensors. The wavelength scanning speed of 800 Hz can be achieved by a FPGA+ARM platform. In addition, a peak detection algorithm based on a self-adaption threshold is designed and the peak recognition rate is 100%. Experiments with different temperatures were conducted to demonstrate the effectiveness of the system. Four FBG sensors were examined in the thermal chamber without stress. When the temperature changed from 0 °C to 100 °C, the degree of linearity between central wavelengths and temperature was about 0.999 with the temperature sensitivity being 10 pm/°C. The static interrogation precision was able to reach 0.5 pm. Through the comparison of different peak detection algorithms and interrogation approaches, the system was verified to have an optimum comprehensive performance in terms of precision, capacity and speed.

A Fiber Bragg Grating Interrogation System with Self-Adaption Threshold Peak Detection Algorithm

PubMed Central

Zhang, Weifang; Li, Yingwu; Jin, Bo; Ren, Feifei

2018-01-01

A Fiber Bragg Grating (FBG) interrogation system with a self-adaption threshold peak detection algorithm is proposed and experimentally demonstrated in this study. This system is composed of a field programmable gate array (FPGA) and advanced RISC machine (ARM) platform, tunable Fabry–Perot (F–P) filter and optical switch. To improve system resolution, the F–P filter was employed. As this filter is non-linear, this causes the shifting of central wavelengths with the deviation compensated by the parts of the circuit. Time-division multiplexing (TDM) of FBG sensors is achieved by an optical switch, with the system able to realize the combination of 256 FBG sensors. The wavelength scanning speed of 800 Hz can be achieved by a FPGA+ARM platform. In addition, a peak detection algorithm based on a self-adaption threshold is designed and the peak recognition rate is 100%. Experiments with different temperatures were conducted to demonstrate the effectiveness of the system. Four FBG sensors were examined in the thermal chamber without stress. When the temperature changed from 0 °C to 100 °C, the degree of linearity between central wavelengths and temperature was about 0.999 with the temperature sensitivity being 10 pm/°C. The static interrogation precision was able to reach 0.5 pm. Through the comparison of different peak detection algorithms and interrogation approaches, the system was verified to have an optimum comprehensive performance in terms of precision, capacity and speed. PMID:29642507

The Peak Flow Working Group: test of portable peak flow meters by explosive decompression.

PubMed

Pedersen, O F; Miller, M R

1997-02-01

In 1991, 50 new Vitalograph peak flow meters and 27 previously used mini-Wright peak flow meters were tested at three peak flows by use of a calibrator applying explosive decompression. The mini-Wright peak flow meters were also compared with eight new meters. For both makes of meter there was an excellent within-meter and between-meter variation. The accuracy, however, was poor, with a maximal overestimation of true flows of 50 and 70 L.min-1 in the interval from 200 to 400 L.min-1 for the Vitalograph and mini-Wright meters, respectively. The deviation is explained by the physical characteristics of the variable orifice peak flow meters. They have been supplied with equidistant scales, which give non-linear readings.

Clustering of gold particles in Au implanted CrN thin films: The effect on the SPR peak position

NASA Astrophysics Data System (ADS)

Novaković, M.; Popović, M.; Schmidt, E.; Mitrić, M.; Bibić, N.; Rakočević, Z.; Ronning, C.

2017-12-01

We report on the formation of gold particles in 280 nm thin polycrystalline CrN layers caused by Au+ ion implantation. The CrN layers were deposited at 150 °C by d.c. reactive sputtering on Si(100) wafers and then implanted at room temperature with 150 keV Au+ ions to fluences of 2 × 1016 cm-2 to 4.1 × 1016 cm-2. The implanted layers were analysed by the means of Rutherford backscattering spectrometry, X-ray diffraction, atomic force microscopy and spectroscopic ellipsometry measurements. The results revealed that the Au atoms are situated in the near-surface region of the implanted CrN layers. At the fluence of 2 × 1016 cm-2 the formation of Au particles of ∼200 nm in diameter has been observed. With increasing Au ion fluence the particles coalesce into clusters with dimensions of ∼1.7 μm. The synthesized particles show a strong absorption peak associated with the excitation of surface plasmon resonances (SPR). The position of the SPR peak shifted in the range of 426.8-690.5 nm when the Au+ ion fluence was varied from 2 × 1016 cm-2 to 4.1 × 1016 cm-2. A correlation of the shift in the peak wavelength caused by the change in the particles size and clustering has been revealed, suggesting that the interaction between Au particles dominate the surface plasmon resonance effect.

Peak power ratio generator

DOEpatents

Moyer, Robert D.

1985-01-01

A peak power ratio generator is described for measuring, in combination with a conventional power meter, the peak power level of extremely narrow pulses in the gigahertz radio frequency bands. The present invention in a preferred embodiment utilizes a tunnel diode and a back diode combination in a detector circuit as the only high speed elements. The high speed tunnel diode provides a bistable signal and serves as a memory device of the input pulses for the remaining, slower components. A hybrid digital and analog loop maintains the peak power level of a reference channel at a known amount. Thus, by measuring the average power levels of the reference signal and the source signal, the peak power level of the source signal can be determined.

Peak power ratio generator

DOEpatents

Moyer, R.D.

A peak power ratio generator is described for measuring, in combination with a conventional power meter, the peak power level of extremely narrow pulses in the gigahertz radio frequency bands. The present invention in a preferred embodiment utilizes a tunnel diode and a back diode combination in a detector circuit as the only high speed elements. The high speed tunnel diode provides a bistable signal and serves as a memory device of the input pulses for the remaining, slower components. A hybrid digital and analog loop maintains the peak power level of a reference channel at a known amount. Thus, by measuring the average power levels of the reference signal and the source signal, the peak power level of the source signal can be determined.

Elucidation of reaction mechanism involved in the formation of LaNiO3 from XRD and TG analysis

NASA Astrophysics Data System (ADS)

Dharmadhikari, Dipti V.; Athawale, Anjali A.

2013-06-01

The present work is focused on the synthesis and elucidation of reaction mechanism involved in the formation of LaNiO3 with the help of X-ray diffraction (XRD) and thermogravimetric (TG) analysis. LaNiO3 was synthesized by hydrothermal method by heating at 160°C under autogenous pressure for 6h. Pure phase product was obtained after calcining the hydrothermally activated product for 6h at 700°C. The various phases of the product obtained after hydrothermal treatment and calcination followed by the formation of pure phase nanocrystalline lanthanum nickel oxide could be determined from XRD analysis of the samples. The reaction mechanism and phase formation temperature has been interpreted by thermogravimetric analysis of the hydrothermally synthesized product and XRD analysis.

Fully automatic assignment of small molecules' NMR spectra without relying on chemical shift predictions.

PubMed

Castillo, Andrés M; Bernal, Andrés; Patiny, Luc; Wist, Julien

2015-08-01

We present a method for the automatic assignment of small molecules' NMR spectra. The method includes an automatic and novel self-consistent peak-picking routine that validates NMR peaks in each spectrum against peaks in the same or other spectra that are due to the same resonances. The auto-assignment routine used is based on branch-and-bound optimization and relies predominantly on integration and correlation data; chemical shift information may be included when available to fasten the search and shorten the list of viable assignments, but in most cases tested, it is not required in order to find the correct assignment. This automatic assignment method is implemented as a web-based tool that runs without any user input other than the acquired spectra. Copyright © 2015 John Wiley & Sons, Ltd.

Detecting and accounting for multiple sources of positional variance in peak list registration analysis and spin system grouping.

PubMed

Smelter, Andrey; Rouchka, Eric C; Moseley, Hunter N B

2017-08-01

Peak lists derived from nuclear magnetic resonance (NMR) spectra are commonly used as input data for a variety of computer assisted and automated analyses. These include automated protein resonance assignment and protein structure calculation software tools. Prior to these analyses, peak lists must be aligned to each other and sets of related peaks must be grouped based on common chemical shift dimensions. Even when programs can perform peak grouping, they require the user to provide uniform match tolerances or use default values. However, peak grouping is further complicated by multiple sources of variance in peak position limiting the effectiveness of grouping methods that utilize uniform match tolerances. In addition, no method currently exists for deriving peak positional variances from single peak lists for grouping peaks into spin systems, i.e. spin system grouping within a single peak list. Therefore, we developed a complementary pair of peak list registration analysis and spin system grouping algorithms designed to overcome these limitations. We have implemented these algorithms into an approach that can identify multiple dimension-specific positional variances that exist in a single peak list and group peaks from a single peak list into spin systems. The resulting software tools generate a variety of useful statistics on both a single peak list and pairwise peak list alignment, especially for quality assessment of peak list datasets. We used a range of low and high quality experimental solution NMR and solid-state NMR peak lists to assess performance of our registration analysis and grouping algorithms. Analyses show that an algorithm using a single iteration and uniform match tolerances approach is only able to recover from 50 to 80% of the spin systems due to the presence of multiple sources of variance. Our algorithm recovers additional spin systems by reevaluating match tolerances in multiple iterations. To facilitate evaluation of the

Peak-flow characteristics of Virginia streams

USGS Publications Warehouse

Austin, Samuel H.; Krstolic, Jennifer L.; Wiegand, Ute

2011-01-01

Peak-flow annual exceedance probabilities, also called probability-percent chance flow estimates, and regional regression equations are provided describing the peak-flow characteristics of Virginia streams. Statistical methods are used to evaluate peak-flow data. Analysis of Virginia peak-flow data collected from 1895 through 2007 is summarized. Methods are provided for estimating unregulated peak flow of gaged and ungaged streams. Station peak-flow characteristics identified by fitting the logarithms of annual peak flows to a Log Pearson Type III frequency distribution yield annual exceedance probabilities of 0.5, 0.4292, 0.2, 0.1, 0.04, 0.02, 0.01, 0.005, and 0.002 for 476 streamgaging stations. Stream basin characteristics computed using spatial data and a geographic information system are used as explanatory variables in regional regression model equations for six physiographic regions to estimate regional annual exceedance probabilities at gaged and ungaged sites. Weighted peak-flow values that combine annual exceedance probabilities computed from gaging station data and from regional regression equations provide improved peak-flow estimates. Text, figures, and lists are provided summarizing selected peak-flow sites, delineated physiographic regions, peak-flow estimates, basin characteristics, regional regression model equations, error estimates, definitions, data sources, and candidate regression model equations. This study supersedes previous studies of peak flows in Virginia.

Transmission X-ray Diffraction (XRD) Patterns Relevant to the MSL Chemin Amorphous Component: Sulfates And Silicates

NASA Technical Reports Server (NTRS)

Morris, R. V.; Rampe, E. B.; Graff, T. G.; Archer, P. D., Jr.; Le, L.; Ming, D. W.; Sutter, B.

2015-01-01

The Mars Science Laboratory (MSL) CheMin instrument on the Curiosity rover is a transmission X-ray diffractometer (Co-Kalpha radiation source and a approx.5deg to approx.52deg 2theta range) where the analyzed powder samples are constrained to have discrete particle diameters <150 microns by a sieve. To date, diffraction patterns have been obtained for one basaltic soil (Rocknest (RN)) and four drill fines of coherent rock (John Klein (JK), Cumberland (CB), Windjana (WJ), and Confidence Hills (CH)). The CheMin instrument has detected and quantified the abundance of both primary igneous (e.g., feldspar, olivine, and pyroxene) and secondary (e.g., Ca-sulfates, hematite, akaganeite, and Fe-saponite) minerals. The diffraction patterns of all CheMin samples are also characterized by a broad diffraction band centered near 30deg 2theta and by increasing diffraction intensity (scattering continuum) from approx.15deg to approx.5deg, the 2theta minimum. Both the broad band and the scattering continuum are attributed to the presence of an XRD amorphous component. Estimates of amorphous component abundance, based on the XRD data itself and on mass-balance calculations using APXS data crystalline component chemistry derived from XRD data, martian meteorites, and/or stoichiometry [e.g., 6-9], range from approx.20 wt.% to approx.50 wt.% of bulk sample. The APXSbased calculations show that the amorphous component is rich in volatile elements (esp. SO3) and is not simply primary basaltic glass, which was used as a surrogate to model the broad band in the RN CheMin pattern. For RN, the entire volatile inventory (except minor anhydrite) is assigned to the amorphous component because no volatile-bearing crystalline phases were reported within detection limits [2]. For JK and CB, Fesaponite, basanite, and akaganeite are volatile-bearing crystalline components. Here we report transmission XRD patterns for sulfate and silicate phases relevant to interpretation of MSL-CheMin XRD amorphous

A plant distribution shift: temperature, drought or past disturbance?

USGS Publications Warehouse

Schwilk, Dylan W.; Keeley, Jon E.

2012-01-01

Simple models of plant response to warming climates predict vegetation moving to cooler and/or wetter locations: in mountainous regions shifting upslope. However, species-specific responses to climate change are likely to be much more complex. We re-examined a recently reported vegetation shift in the Santa Rosa Mountains, California, to better understand the mechanisms behind the reported shift of a plant distribution upslope. We focused on five elevational zones near the center of the gradient that captured many of the reported shifts and which are dominated by fire-prone chaparral. Using growth rings, we determined that a major assumption of the previous work was wrong: past fire histories differed among elevations. To examine the potential effect that this difference might have on the reported upward shift, we focused on one species, Ceanothus greggii: a shrub that only recruits post-fire from a soil stored seedbank. For five elevations used in the prior study, we calculated time series of past per-capita mortality rates by counting growth rings on live and dead individuals. We tested three alternative hypotheses explaining the past patterns of mortality: 1) mortality increased over time consistent with climate warming, 2) mortality was correlated with drought indices, and 3) mortality peaked 40–50 years post fire at each site, consistent with self-thinning. We found that the sites were different ages since the last fire, and that the reported increase in the mean elevation of C. greggii was due to higher recent mortality at the lower elevations, which were younger sites. The time-series pattern of mortality was best explained by the self-thinning hypothesis and poorly explained by gradual warming or drought. At least for this species, the reported distribution shift appears to be an artifact of disturbance history and is not evidence of a climate warming effect.

Mineralogical composition of the meteorite El Pozo (Mexico): a Raman, infrared and XRD study.

PubMed

Ostrooumov, Mikhail; Hernández-Bernal, Maria del Sol

2011-12-01

The Raman (RMP), infrared (IR) and XRD analysis have been applied to the examination of mineralogical composition of El Pozo meteorite (an ordinary chondrite L5 type; village Valle of Allende, founded in State of Chihuahua, Mexico: 26°56'N and 105°24'W, 1998). RMP measurements in the range of 100-3500 cm(-1) revealed principal characteristic bands of the major minerals: olivine, two polymorph modifications of pyroxene (OPx and CPx) and plagioclase. Some bands of the minor minerals (hematite and goethite) were also identified. All these minerals were clearly distinguished using IR and XRD techniques. XRD technique has shown the presence of some metallic phases such as kamacite and taenite as well as troilite and chromite. These minerals do not have characteristic Raman spectra because Fe-Ni metals have no active modes for Raman spectroscopy and troilite is a weak Raman scatterer. Raman mapping microspectroscopy was a key part in the investigation of El Pozo meteorite's spatial distribution of the main minerals because these samples are structurally and chemically complex and heterogeneous. The mineral mapping by Raman spectroscopy has provided information for a certain spatial region on which a spatial distribution coexists of the three typical mineral assemblages: olivine; olivine+orthopyroxene; and orthopyroxene. Copyright © 2011 Elsevier B.V. All rights reserved.

Distribution of mean Doppler shift, spectral width, and skewness of coherent 50-MHz auroral radar backscatter

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

Watermann, J.; McNamara, A.G.; Sofko, G.J.

Some 7,700 radio aurora spectra obtained from a six link 50-MHz CW radar network set up on the Canadian prairies were analyzed with respect to the distributions of mean Doppler shift, spectral width and skewness. A comparison with recently published SABRE results obtained at 153 MHz shows substantial differences in the distributions which are probably due to different experimental and geophysical conditions. The spectra are mostly broad with mean Doppler shifts close to zero (type II spectra). The typical groupings of type I and type III spectra are clearly identified. All types appear to be in general much more symmetricmore » than those recorded with SABRE, and the skewness is only weakly dependent on the sign of the mean Doppler shift. Its distribution peaks near zero and shows a weak positive correlation with the type II Doppler shifts while the mostly positive type I Doppler shifts are slightly negatively correlated with the skewness.« less

Peak High-Frequency HRV and Peak Alpha Frequency Higher in PTSD

PubMed Central

Oken, Barry S.

2012-01-01

Posttraumatic stress disorder (PTSD) is difficult to treat and current PTSD treatments are not effective for all people. Despite limited evidence for its efficacy, some clinicians have implemented biofeedback for PTSD treatment. As a first step in constructing an effective biofeedback treatment program, we assessed respiration, electroencephalography (EEG) and heart rate variability (HRV) as potential biofeedback parameters for a future clinical trial. This cross-sectional study included 86 veterans; 59 with and 27 without PTSD. Data were collected on EEG measures, HRV, and respiration rate during an attentive resting state. Measures were analyzed to assess sensitivity to PTSD status and the relationship to PTSD symptoms. Peak alpha frequency was higher in the PTSD group (F(1,84) = 6.14, p = 0.01). Peak high-frequency HRV was lower in the PTSD group (F(2,78) = 26.5, p<0.00005) when adjusting for respiration rate. All other EEG and HRV measures and respiration were not different between groups. Peak high-frequency HRV and peak alpha frequency are sensitive to PTSD status and may be potential biofeedback parameters for future PTSD clinical trials. PMID:23178990

A new approach way for white organic light-emitting diodes based on single emitting layer and large stokes shift.

PubMed

Kim, Beomjin; Park, Youngil; Shin, Yunseop; Lee, Jiwon; Shin, Hwangyu; Park, Jongwook

2014-07-01

New red dopant, DPPZ based on porphyrin moiety was synthesized. DPPZ showed UV-Vis and PL maximum values of 412 and 638 nm, indicating the large stokes shift. New blue host compound, TATa was also synthesized and used for co-mixed white emission. TATa exhibited UV-Vis. and PL maximum values of 403 nm and 463 nm in film state. Thus, when two compounds are used as co-mixed emitter in OLED device, there is no energy transfer from blue emission of TATa to DPPZ due to large stokes shift of DPPZ. Based on the PL result, it is available to realize two-colored white in PL and EL spectra. As a result of this, two-mixed compounds showed vivid their own PL emission peaks of 466 and 638 nm in film state. Also, white OLED device using two-mixed compounds system was fabricated. EL spectrum shows 481 and 646 nm peaks and two separate EL peaks. As the operation voltage is increased from 8 to 11 V, EL spectrum does not change the peak shape and maximum wavelength values. EL performance of white device showed 0.041 cd/A, 0.018 Im/W, and CIE (0.457, 0.331) at 8 V.

Equivalent peak resolution: characterization of the extent of separation for two components based on their relative peak overlap.

PubMed

Dvořák, Martin; Svobodová, Jana; Dubský, Pavel; Riesová, Martina; Vigh, Gyula; Gaš, Bohuslav

2015-03-01

Although the classical formula of peak resolution was derived to characterize the extent of separation only for Gaussian peaks of equal areas, it is often used even when the peaks follow non-Gaussian distributions and/or have unequal areas. This practice can result in misleading information about the extent of separation in terms of the severity of peak overlap. We propose here the use of the equivalent peak resolution value, a term based on relative peak overlap, to characterize the extent of separation that had been achieved. The definition of equivalent peak resolution is not constrained either by the form(s) of the concentration distribution function(s) of the peaks (Gaussian or non-Gaussian) or the relative area of the peaks. The equivalent peak resolution value and the classically defined peak resolution value are numerically identical when the separated peaks are Gaussian and have identical areas and SDs. Using our new freeware program, Resolution Analyzer, one can calculate both the classically defined and the equivalent peak resolution values. With the help of this tool, we demonstrate here that the classical peak resolution values mischaracterize the extent of peak overlap even when the peaks are Gaussian but have different areas. We show that under ideal conditions of the separation process, the relative peak overlap value is easily accessible by fitting the overall peak profile as the sum of two Gaussian functions. The applicability of the new approach is demonstrated on real separations. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Osteoporosis: Peak Bone Mass in Women

MedlinePlus

... Osteoporosis: Peak Bone Mass in Women Osteoporosis: Peak Bone Mass in Women Bones are the framework for ... that affect peak bone mass. Factors Affecting Peak Bone Mass A variety of genetic and environmental factors ...

Full-Shift Trunk and Upper Arm Postures and Movements Among Aircraft Baggage Handlers.

PubMed

Wahlström, Jens; Bergsten, Eva; Trask, Catherine; Mathiassen, Svend Erik; Jackson, Jennie; Forsman, Mikael

2016-10-01

The present study assessed full-shift trunk and upper arm postural exposure amplitudes, frequencies, and durations among Swedish airport baggage handlers and aimed to determine whether exposures differ between workers at the ramp (loading and unloading aircraft) and baggage sorting areas. Trunk and upper arm postures were measured using inclinometers during three full work shifts on each of 27 male baggage handlers working at a large Swedish airport. Sixteen of the baggage handlers worked on the ramp and 11 in the sorting area. Variables summarizing postures and movements were calculated, and mean values and variance components between subjects and within subject (between days) were estimated using restricted maximum likelihood algorithms in a one-way random effect model. In total, data from 79 full shifts (651h) were collected with a mean recording time of 495min per shift (range 319-632). On average, baggage handlers worked with the right and left arm elevated >60° for 6.4% and 6.3% of the total workday, respectively. The 90th percentile trunk forward projection (FP) was 34.1°, and the 50th percentile trunk movement velocity was 8° s(-1). For most trunk (FP) and upper arm exposure variables, between-subject variability was considerable, suggesting that the flight baggage handlers were not a homogeneously exposed group. A notable between-days variability pointed to the contents of the job differing on different days. Peak exposures (>90°) were higher for ramp workers than for sorting area workers (trunk 0.6% ramp versus 0.3% sorting; right arm 1.3% ramp versus 0.7% sorting). Trunk and upper arm postures and movements among flight baggage handlers measured by inclinometry were similar to those found in other jobs comprising manual material handling, known to be associated with increased risks for musculoskeletal disorders. The results showed that full-shift trunk (FP) and, to some extent, peak arm exposures were higher for ramp workers compared with sorting

MUDMASTER: A Program for Calculating Crystalline Size Distributions and Strain from the Shapes of X-Ray Diffraction Peaks

USGS Publications Warehouse

Eberl, D.D.; Drits, V.A.; Środoń, Jan; Nüesch, R.

1996-01-01

Particle size may strongly influence the physical and chemical properties of a substance (e.g. its rheology, surface area, cation exchange capacity, solubility, etc.), and its measurement in rocks may yield geological information about ancient environments (sediment provenance, degree of metamorphism, degree of weathering, current directions, distance to shore, etc.). Therefore mineralogists, geologists, chemists, soil scientists, and others who deal with clay-size material would like to have a convenient method for measuring particle size distributions. Nano-size crystals generally are too fine to be measured by light microscopy. Laser scattering methods give only average particle sizes; therefore particle size can not be measured in a particular crystallographic direction. Also, the particles measured by laser techniques may be composed of several different minerals, and may be agglomerations of individual crystals. Measurement by electron and atomic force microscopy is tedious, expensive, and time consuming. It is difficult to measure more than a few hundred particles per sample by these methods. This many measurements, often taking several days of intensive effort, may yield an accurate mean size for a sample, but may be too few to determine an accurate distribution of sizes. Measurement of size distributions by X-ray diffraction (XRD) solves these shortcomings. An X-ray scan of a sample occurs automatically, taking a few minutes to a few hours. The resulting XRD peaks average diffraction effects from billions of individual nano-size crystals. The size that is measured by XRD may be related to the size of the individual crystals of the mineral in the sample, rather than to the size of particles formed from the agglomeration of these crystals. Therefore one can determine the size of a particular mineral in a mixture of minerals, and the sizes in a particular crystallographic direction of that mineral.

Greater deciduous shrub abundance extends tundra peak season and increases modeled net CO2 uptake.

PubMed

Sweet, Shannan K; Griffin, Kevin L; Steltzer, Heidi; Gough, Laura; Boelman, Natalie T

2015-06-01

Satellite studies of the terrestrial Arctic report increased summer greening and longer overall growing and peak seasons since the 1980s, which increases productivity and the period of carbon uptake. These trends are attributed to increasing air temperatures and reduced snow cover duration in spring and fall. Concurrently, deciduous shrubs are becoming increasingly abundant in tundra landscapes, which may also impact canopy phenology and productivity. Our aim was to determine the influence of greater deciduous shrub abundance on tundra canopy phenology and subsequent impacts on net ecosystem carbon exchange (NEE) during the growing and peak seasons in the arctic foothills region of Alaska. We compared deciduous shrub-dominated and evergreen/graminoid-dominated community-level canopy phenology throughout the growing season using the normalized difference vegetation index (NDVI). We used a tundra plant-community-specific leaf area index (LAI) model to estimate LAI throughout the green season and a tundra-specific NEE model to estimate the impact of greater deciduous shrub abundance and associated shifts in both leaf area and canopy phenology on tundra carbon flux. We found that deciduous shrub canopies reached the onset of peak greenness 13 days earlier and the onset of senescence 3 days earlier compared to evergreen/graminoid canopies, resulting in a 10-day extension of the peak season. The combined effect of the longer peak season and greater leaf area of deciduous shrub canopies almost tripled the modeled net carbon uptake of deciduous shrub communities compared to evergreen/graminoid communities, while the longer peak season alone resulted in 84% greater carbon uptake in deciduous shrub communities. These results suggest that greater deciduous shrub abundance increases carbon uptake not only due to greater leaf area, but also due to an extension of the period of peak greenness, which extends the period of maximum carbon uptake. © 2015 John Wiley & Sons Ltd.

XRD and SEM study of alumina silicate porcelain insulator

NASA Astrophysics Data System (ADS)

Duddi, Dharmender; Singh, G. P.; Kalra, Swati; Shekhawat, M. S.; Tak, S. K.

2018-05-01

Higher strength electrical porcelain is a requirement of industry. This will be achieved by a specific composition of raw materials, which is consisted of clays and feldspars. Water absorption, particle size and insulating properties are of special interest now a day. China clay, Ball clay and Quartz are widely used by ceramic industries in Bikaner district of Rajasthan. Sample for present study were prepared by mixing of above clay, feldspar with MnO2, then shrinkage is observed. Bar shaped samples were prepared and heated up to a temperature of about 1185° C to observe shrinkage. For phase study of XRD and SEM are observed.

How resonance-continuum interference changes 750 GeV diphoton excess: Signal enhancement and peak shift

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

Jung, Sunghoon; Song, Jeonghyeon; Yoon, Yeo Woong

2016-05-02

A hypothetical new scalar resonance, a candidate explanation for the recently observed 750 GeV diphoton excess at the LHC 13 TeV, necessarily interferes with the continuum background gg → γγ. The interference has two considerable effects: (1) enhancing or suppressing diphoton signal rate due to the imaginary-part interference and (2) distorting resonance shape due to the real-part interference. We study them based on the best-fit analysis of two benchmark models: two Higgs doublets with ~50 GeV width (exhibiting the imaginary-part interference effect) and a singlet scalar with 5 GeV width (exhibiting the real-part one), both extended with vector-like fermions. Furthermore,more » we find that the resonance contribution can be enhanced by a factor of 2 (1.6) for 3 (6) fb signal rate, or the 68% CL allowed mass region is shifted by O (1) GeV. If the best-fit excess rate decreases in the future data, the interference effects will become more significant.« less

Impact Crater with Peak

NASA Technical Reports Server (NTRS)

2002-01-01

(Released 14 June 2002) The Science This THEMIS visible image shows a classic example of a martian impact crater with a central peak. Central peaks are common in large, fresh craters on both Mars and the Moon. This peak formed during the extremely high-energy impact cratering event. In many martian craters the central peak has been either eroded or buried by later sedimentary processes, so the presence of a peak in this crater indicates that the crater is relatively young and has experienced little degradation. Observations of large craters on the Earth and the Moon, as well as computer modeling of the impact process, show that the central peak contains material brought from deep beneath the surface. The material exposed in these peaks will provide an excellent opportunity to study the composition of the martian interior using THEMIS multi-spectral infrared observations. The ejecta material around the crater can is well preserved, again indicating relatively little modification of this landform since its initial creation. The inner walls of this approximately 18 km diameter crater show complex slumping that likely occurred during the impact event. Since that time there has been some downslope movement of material to form the small chutes and gullies that can be seen on the inner crater wall. Small (50-100 m) mega-ripples composed of mobile material can be seen on the floor of the crater. Much of this material may have come from the walls of the crater itself, or may have been blown into the crater by the wind. The Story When a meteor smacked into the surface of Mars with extremely high energy, pow! Not only did it punch an 11-mile-wide crater in the smoother terrain, it created a central peak in the middle of the crater. This peak forms kind of on the 'rebound.' You can see this same effect if you drop a single drop of milk into a glass of milk. With craters, in the heat and fury of the impact, some of the land material can even liquefy. Central peaks like the one

An Integrated XRF/XRD Instrument for Mars Exobiology and Geology Experiments

NASA Technical Reports Server (NTRS)

Koppel, L. N.; Franco, E. D.; Kerner, J. A.; Fonda, M. L.; Schwartz, D. E.; Marshall, J. R.

1993-01-01

By employing an integrated x-ray instrument on a future Mars mission, data obtained will greatly augment those returned by Viking; details characterizing the past and present environment on Mars and those relevant to the possibility of the origin and evolution of life will be acquired. A combined x-ray fluorescence/x-ray diffraction (XRF/XRD) instrument was breadboarded and demonstrated to accommodate important exobiology and geology experiment objectives outlined for MESUR and future Mars missions. Among others, primary objectives for the exploration of Mars include the intense study of local areas on Mars to establish the chemical, mineralogical, and petrological character of different components of the surface material; to determine the distribution, abundance, and sources and sinks of volatile materials, including an assessment of the biologic potential, now and during past epoches; and to establish the global chemical and physical characteristics of the Martian surface. The XRF/XRD breadboard instrument identifies and quantifies soil surface elemental, mineralogical, and petrological characteristics and acquires data necessary to address questions on volatile abundance and distribution. Additionally, the breadboard is able to characterize the biogenic element constituents of soil samples providing information on the biologic potential of the Mars environment. Preliminary breadboard experiments confirmed the fundamental instrument design approach and measurement performance.

Effect of gear ratio on peak power and time to peak power in BMX cyclists.

PubMed

Rylands, Lee P; Roberts, Simon J; Hurst, Howard T

2017-03-01

The aim of this study was to ascertain if gear ratio selection would have an effect on peak power and time to peak power production in elite Bicycle Motocross (BMX) cyclists. Eight male elite BMX riders volunteered for the study. Each rider performed three, 10-s maximal sprints on an Olympic standard indoor BMX track. The riders' bicycles were fitted with a portable SRM power meter. Each rider performed the three sprints using gear ratios of 41/16, 43/16 and 45/16 tooth. The results from the 41/16 and 45/16 gear ratios were compared to the current standard 43/16 gear ratio. Statistically, significant differences were found between the gear ratios for peak power (F(2,14) = 6.448; p = .010) and peak torque (F(2,14) = 4.777; p = .026), but no significant difference was found for time to peak power (F(2,14) = 0.200; p = .821). When comparing gear ratios, the results showed a 45/16 gear ratio elicited the highest peak power,1658 ± 221 W, compared to 1436 ± 129 W and 1380 ± 56 W, for the 43/16 and 41/16 ratios, respectively. The time to peak power showed a 41/16 tooth gear ratio attained peak power in -0.01 s and a 45/16 in 0.22 s compared to the 43/16. The findings of this study suggest that gear ratio choice has a significant effect on peak power production, though time to peak power output is not significantly affected. Therefore, selecting a higher gear ratio results in riders attaining higher power outputs without reducing their start time.

PeakVizor: Visual Analytics of Peaks in Video Clickstreams from Massive Open Online Courses.

PubMed

Chen, Qing; Chen, Yuanzhe; Liu, Dongyu; Shi, Conglei; Wu, Yingcai; Qu, Huamin

2016-10-01

Massive open online courses (MOOCs) aim to facilitate open-access and massive-participation education. These courses have attracted millions of learners recently. At present, most MOOC platforms record the web log data of learner interactions with course videos. Such large amounts of multivariate data pose a new challenge in terms of analyzing online learning behaviors. Previous studies have mainly focused on the aggregate behaviors of learners from a summative view; however, few attempts have been made to conduct a detailed analysis of such behaviors. To determine complex learning patterns in MOOC video interactions, this paper introduces a comprehensive visualization system called PeakVizor. This system enables course instructors and education experts to analyze the "peaks" or the video segments that generate numerous clickstreams. The system features three views at different levels: the overview with glyphs to display valuable statistics regarding the peaks detected; the flow view to present spatio-temporal information regarding the peaks; and the correlation view to show the correlation between different learner groups and the peaks. Case studies and interviews conducted with domain experts have demonstrated the usefulness and effectiveness of PeakVizor, and new findings about learning behaviors in MOOC platforms have been reported.

PRESSURE SHIFT AND GRAVITATIONAL REDSHIFT OF BALMER LINES IN WHITE DWARFS: REDISCUSSION

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

Halenka, Jacek; Olchawa, Wieslaw; Madej, Jerzy

2015-08-01

The Stark-induced shift and asymmetry, the so-called pressure shift (PS) of H{sub α} and H{sub β} Balmer lines in spectra of DA white dwarfs (WDs), have been examined in detail as masking effects in measurements of the gravitational redshift in WDs. The results are compared with our earlier ones from a quarter of a century ago. In these earlier papers, the standard, symmetrical Stark line profiles, as a dominant constituent of the Balmer line profiles but shifted as a whole by the PS effect, were applied to all spectrally active layers of the WD atmosphere. At present, in each ofmore » the WD layers, the Stark line profiles (especially of H{sub β}) are inherently asymmetrical and shifted due to the effects of strong inhomogeneity of the perturbing fields in plasma. To calculate the Stark line profiles in successive layers of the WD atmosphere we used the modified Full Computer Simulation Method, able to take adequately into account the complexity of local elementary quantum processes in plasma. In the case of the H{sub α} line, the present value of Stark-induced shift of the synthetic H{sub α} line profile is about half the previous one and it is negligible in comparison with the gravitational redshift. In the case of the H{sub β} line, the present value of Stark-induced shift of the synthetic H{sub β} line profile is about twice the previous one. The source of this extra shift is the asymmetry of H{sub β} peaks.« less

Conditions and phase shift of fluid resonance in narrow gaps of bottom mounted caissons

NASA Astrophysics Data System (ADS)

Zhu, Da-tong; Wang, Xing-gang; Liu, Qing-jun

2017-12-01

This paper studies the viscid and inviscid fluid resonance in gaps of bottom mounted caissons on the basis of the plane wave hypothesis and full wave model. The theoretical analysis and the numerical results demonstrate that the condition for the appearance of fluid resonance in narrow gaps is kh=(2 n+1)π ( n=0, 1, 2, 3, …), rather than kh= nπ ( n=0, 1, 2, 3, …); the transmission peaks in viscid fluid are related to the resonance peaks in the gaps. k and h stand for the wave number and the gap length. The combination of the plane wave hypothesis or the full wave model with the local viscosity model can accurately determine the heights and the locations of the resonance peaks. The upper bound for the appearance of fluid resonance in gaps is 2 b/ L<1 (2 b, grating constant; L, wave length) and the lower bound is h/ b≤1. The main reason for the phase shift of the resonance peaks is the inductive factors. The number of resonance peaks in the spectrum curve is dependent on the ratio of the gap length to the grating constant. The heights and the positions of the resonance peaks predicted by the present models agree well with the experimental data.

A Multi-Peaked Mid-Holocene Relative Sea-Level Highstand on the Sunda Shelf, Indonesia

NASA Astrophysics Data System (ADS)

Meltzner, A. J.; Switzer, A.; Horton, B.; Qiu, Q.; Hill, E.; Hill, D. F.; Bradley, S. L.; Majewski, J. M.; Suwargadi, B. W.; Natawidjaja, D. H.

2015-12-01

Details of relative sea level (RSL) since the mid-Holocene in Southeast Asia are poorly determined. We have developed mid-Holocene RSL records at two sites on Belitung Island, Indonesia, on the Sunda Shelf, based on slabbed coral microatolls. At both sites, RSL reached its initial peak at ~6750 yr BP. RSL then fell ~70 cm, remaining at a lowstand for 60-100 years, before rising ~60 cm to a second peak at ~6550 yr BP. Evidence at both sites suggests that this was followed by at least one additional oscillation and one additional RSL peak over the following ~300 yr. On southeastern Belitung, the amplitude of the first RSL peak was more than +1.0 m above 2013 levels, the lowstand was at +0.6 m, and the second RSL peak was at +1.2 m. On northwestern Belitung, the first RSL peak, the lowstand, and the second peak were at +1.9 m, +1.2 m, and +1.7 m, respectively. The similarities in the records from the two sites, which are 80 km apart, argue that none of the oscillations are artifacts of local factors, e.g., ponding of corals. Notwithstanding these similarities, there is a uniform shift in elevations between the two sites: elevations at the NW site are consistently 0.5-0.6 m higher than contemporaneous elevations at the SE site. This difference might be explained by spatial variability in glacial isostatic adjustment (GIA), by changes over time in tidal range at one or both sites, and/or by a bias in elevations at the SE site if the modern "reference" corals were ponded. Decimetric fluctuations in RSL have also been suggested based on microatolls from southern China (Yu et al., 2009), but few other studies have the temporal and vertical resolution necessary to assess the geographic extent of such fluctuations. These RSL fluctuations across the South China Sea might be linked to oscillations in the strength of the monsoon.

Chemical characterization of hydroxyapatite obtained by wet chemistry in the presence of V, Co, and Cu ions.

PubMed

Moseke, Claus; Gelinsky, Michael; Groll, Jürgen; Gbureck, Uwe

2013-04-01

A model system for the precipitation of hydroxyapatite (HA) from saturated solutions at basic pH was utilized to investigate the effects of V, Co, and Cu ions on crystallography and stoichiometry of the produced apatites. X-ray diffraction (XRD) was applied to analyze phase composition and crystallinity of powders obtained with different metal ion concentrations and annealed at different sintering temperatures. This procedure used the temperature-dependent phase transitions and decompositions of calcium phosphates to analyze the particular influences of the metal ions on apatite mineralization. Comparative XRD measurements showed that all metal ion species reduced crystallinity and crystallite size of the produced apatites. Furthermore the transformation of amorphous calcium phosphate (ACP) to HA was partially inhibited, as was deduced from the formation of α-tricalcium phosphate (α-TCP) peaks in XRD patterns of the heated powders as well as from the reduced intensity of the OH stretch vibration in FTIR spectra. The thermally induced formation of β-TCP indicated a significantly reduced Ca/P ratio as compared to stoichiometric HA. This effect was more pronounced with rising metal ion content. In addition, the appearance of metal oxides in the XRD patterns of samples heated to higher temperatures indicated the incorporation of metal ions in the precipitated apatites. Peak shifts showed that both the apatitic as well as the β-TCP phase apparently had incorporated metal ions. Copyright © 2012 Elsevier B.V. All rights reserved.

The influence of applied internal and external rotation on the pivot shift phenomenon.

PubMed

Kopf, Sebastian; Musahl, Volker; Perka, Carsten; Kauert, Ralf; Hoburg, Arnd; Becker, Roland

2017-04-01

The pivot shift test is performed in different techniques and the rotation of the tibia seems to have a significant impact on the amount of the pivot shift phenomenon. It has been hypothesised that external rotation will increase the phenomenon due to less tension at the iliotibial band in knee extension. Twenty-four patients with unilateral anterior cruciate ligament insufficiency were included prospectively. The pivot shift test was performed bilaterally in internal and external tibial rotation under general anaesthesia. Knee motion was captured using a femoral and a tibial inertial sensor. The difference between positive and negative peak values in Euclidean norm of acceleration was calculated to evaluate the amount of the pivot shift phenomenon. The pivot shift phenomenon was significantly increased in patients with ACL insufficiency when the test was performed in external [mean 5.2 ms - 2 (95% CI 4.3-6.0)] compared to internal tibial rotation [mean 4.4 ms - 2 (95% CI 3.5-5.4)] (p = 0.002). In healthy, contralateral knees did not show any difference between external [mean 4.0 ms - 2 (95% CI 3.3-4.7)] and internal tibial rotation [mean 4.0 ms - 2 (95% CI 3.4-4.6)] (ns). The pivot shift phenomenon was increased with external rotation in ACL-insufficient knees, and therefore, one should perform the pivot shift test, rather, in external rotation to easily evoke the, sometimes difficult to detect, pivot shift phenomenon. I (diagnostic study).

Sensitivity of Chemical Shift-Encoded Fat Quantification to Calibration of Fat MR Spectrum

PubMed Central

Wang, Xiaoke; Hernando, Diego; Reeder, Scott B.

2015-01-01

Purpose To evaluate the impact of different fat spectral models on proton density fat-fraction (PDFF) quantification using chemical shift-encoded (CSE) MRI. Material and Methods Simulations and in vivo imaging were performed. In a simulation study, spectral models of fat were compared pairwise. Comparison of magnitude fitting and mixed fitting was performed over a range of echo times and fat fractions. In vivo acquisitions from 41 patients were reconstructed using 7 published spectral models of fat. T2-corrected STEAM-MRS was used as reference. Results Simulations demonstrate that imperfectly calibrated spectral models of fat result in biases that depend on echo times and fat fraction. Mixed fitting is more robust against this bias than magnitude fitting. Multi-peak spectral models showed much smaller differences among themselves than when compared to the single-peak spectral model. In vivo studies show all multi-peak models agree better (for mixed fitting, slope ranged from 0.967–1.045 using linear regression) with reference standard than the single-peak model (for mixed fitting, slope=0.76). Conclusion It is essential to use a multi-peak fat model for accurate quantification of fat with CSE-MRI. Further, fat quantification techniques using multi-peak fat models are comparable and no specific choice of spectral model is shown to be superior to the rest. PMID:25845713

Mössbauer and XRD study of novel quaternary Sn-Fe-Co-Ni electroplated alloy

NASA Astrophysics Data System (ADS)

Kuzmann, E.; Sziráki, L.; Stichleutner, S.; Homonnay, Z.; Lak, G. B.; El-Sharif, M.; Chisholm, C. U.

2017-11-01

Constant current electrochemical deposition technique was used to obtain quaternary alloys of Sn-Fe-Co-Ni from a gluconate electrolyte, which to date have not been reported in the literature. For the characterization of electroplated alloys, 57Fe and 119Sn Conversion Electron Mössbauer Spectroscopy (CEMS), XRD and SEM/EDAX were used. XRD revealed the amorphous character of the novel Sn-Fe-Co-Ni electrodeposited alloys. 57Fe Mössbauer spectrum of quaternary deposit with composition of 37.0 at% Sn, 38.8 at% Fe, 16.8 at% Co and 7.4 at% Ni displayed a magnetically split sextet (B = 28.9T) with broad lines typical of iron bearing ferromagnetic amorphous alloys. Magnetically split 119Sn spectra reflecting a transferred hyperfine field (B = 2.3T) were also observed. New quaternary Sn-Fe-Co-Ni alloys were successfully prepared.

Verification of 1921 peak discharge at Skagit River near Concrete, Washington, using 2003 peak-discharge data

USGS Publications Warehouse

Mastin, M.C.; Kresch, D.L.

2005-01-01

The 1921 peak discharge at Skagit River near Concrete, Washington (U.S. Geological Survey streamflow-gaging station 12194000), was verified using peak-discharge data from the flood of October 21, 2003, the largest flood since 1921. This peak discharge is critical to determining other high discharges at the gaging station and to reliably estimating the 100-year flood, the primary design flood being used in a current flood study of the Skagit River basin. The four largest annual peak discharges of record (1897, 1909, 1917, and 1921) were used to determine the 100-year flood discharge at Skagit River near Concrete. The peak discharge on December 13, 1921, was determined by James E. Stewart of the U.S. Geological Survey using a slope-area measurement and a contracted-opening measurement. An extended stage-discharge rating curve based on the 1921 peak discharge was used to determine the peak discharges of the three other large floods. Any inaccuracy in the 1921 peak discharge also would affect the accuracies of the three other largest peak discharges. The peak discharge of the 1921 flood was recalculated using the cross sections and high-water marks surveyed after the 1921 flood in conjunction with a new estimate of the channel roughness coefficient (n value) based on an n-verification analysis of the peak discharge of the October 21, 2003, flood. The n value used by Stewart for his slope-area measurement of the 1921 flood was 0.033, and the corresponding calculated peak discharge was 240,000 cubic feet per second (ft3/s). Determination of a single definitive water-surface profile for use in the n-verification analysis was precluded because of considerable variation in elevations of surveyed high-water marks from the flood on October 21, 2003. Therefore, n values were determined for two separate water-surface profiles thought to bracket a plausible range of water-surface slopes defined by high-water marks. The n value determined using the flattest plausible slope was 0

Peak capacity and peak capacity per unit time in capillary and microchip zone electrophoresis.

PubMed

Foley, Joe P; Blackney, Donna M; Ennis, Erin J

2017-11-10

The origins of the peak capacity concept are described and the important contributions to the development of that concept in chromatography and electrophoresis are reviewed. Whereas numerous quantitative expressions have been reported for one- and two-dimensional separations, most are focused on chromatographic separations and few, if any, quantitative unbiased expressions have been developed for capillary or microchip zone electrophoresis. Making the common assumption that longitudinal diffusion is the predominant source of zone broadening in capillary electrophoresis, analytical expressions for the peak capacity are derived, first in terms of migration time, diffusion coefficient, migration distance, and desired resolution, and then in terms of the remaining underlying fundamental parameters (electric field, electroosmotic and electrophoretic mobilities) that determine the migration time. The latter expressions clearly illustrate the direct square root dependence of peak capacity on electric field and migration distance and the inverse square root dependence on solute diffusion coefficient. Conditions that result in a high peak capacity will result in a low peak capacity per unit time and vice-versa. For a given symmetrical range of relative electrophoretic mobilities for co- and counter-electroosmotic species (cations and anions), the peak capacity increases with the square root of the electric field even as the temporal window narrows considerably, resulting in a significant reduction in analysis time. Over a broad relative electrophoretic mobility interval [-0.9, 0.9], an approximately two-fold greater amount of peak capacity can be generated for counter-electroosmotic species although it takes about five-fold longer to do so, consistent with the well-known bias in migration time and resolving power for co- and counter-electroosmotic species. The optimum lower bound of the relative electrophoretic mobility interval [μ r,Z , μ r,A ] that provides the maximum

Adsorbate-induced shifts of electronic surface states: Cs on the (100) faces of tungsten, molybdenum, and tantalum

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

Soukiassian, P.; Riwan, R.; Lecante, J.

1985-04-15

The adsorption of cesium on the (100) faces of W, Mo, and Ta for coverages between 0 and 1 monolayer is studied by angle-resolved ultraviolet photoemission spectroscopy with use of synchro- tron radiation, by electron-energy-loss spectroscopy, and by low-energy electron diffraction. With increasing cesiation, the W(100) surface state at Gamma-bar located 0.3 eV below the Fermi level is shifted by up to 1.0 eV to larger binding energies while remaining sharp and intense. A similar behavior is observed on Ta(100), whereas on Mo(100) the shift of 0.9 eV of this surface state is accompanied by a pronounced attenuation of itsmore » intensity. These experimental shifts are shown to be in excellent agreement with all-electron local-density-functional results obtained with the full-potential linearized augmented-plane-wave method for Cs monolayers on the W(100) and Mo(100) surfaces. Based on these ab initio results, the electronic origin of the shifts is understood by the formation of strongly polarized covalent bonds between the d-like surface states and the Cs 6s--derived valence states. It is argued that even at high Cs coverages, the main electron-energy-loss peaks, which are observed between 1 and 2 eV, could be interpreted as Cs 6s..-->..6p--like interband transitions rather than as surface-plasmon peaks.« less

Structural and spectroscopic study of mechanically synthesized SnO2 nanostructures

NASA Astrophysics Data System (ADS)

Vij, Ankush; Kumar, Ravi

2016-05-01

We report the single step synthesis of SnO2 nanostructures using high energy mechanical attrition method. X-ray diffraction (XRD) pattern reveals the single phase rutile structure with appreciable broadening of diffraction peaks, which is a signature of nanostructure formation. The average crystallite size of SnO2 nanostructures has been calculated to be ~15 nm. The micro-Raman study reveals the shifting of A1g Raman mode towards lower wave number, which is correlated with the nanostructure formation.

Synthesis and Characterization of Nano-Structure Metal Oxides and Peroxides Prepared by Laser Ablation in Liquids

NASA Astrophysics Data System (ADS)

Drmosh, Qasem Ahmed Qasem

while it appears in case of SDS. Both FTIR and UV-Vis spectra showed a red shift in the presence of SDS and blue shift in presence of CTAB and OGM. The effect of post annealing temperature on dry ZnO2 nanoparticles prepared by PLA technique of solid zinc target in 3% H2O2 was studied by variation of the annealing temperatures from 100 to 600 °C for 8 hours under 1 atmospheric pressure. The XRD showed the phase transition from ZnO2 to ZnO at 200 °C. Based on XRD data, both the average grain size and lattice parameters of ZnO increased by post annealing of ZnO2 higher than 200 °C. In contrast, the band gap of ZnO nanoparticles decreased when the annealing temperature increased. The average sizes were 5, 6, 9, 15 and 19 nm at 200, 300, 400, 500 and 600 °C respectively. The PL emission spectra for ZnO showed strong UV emission peaks in all samples. In addition, the UV emission peaks were shifted to longer wavelength (red shifting) as the annealing temperature increase from 200 to 600 °C. From the above findings, we concluded that the grain size, lattice parameters, PL and band gap were size dependent as predicted by theoretical studies. (Abstract shortened by UMI.).

Validation of enhanced stabilization of municipal solid waste under controlled leachate recirculation using FTIR and XRD.

PubMed

Sethi, Sapna; Kothiyal, N C; Nema, Arvind K

2012-07-01

Leachate recirculation at neutral PH accompanied with buffer/nutrients addition has been used successfully in earlier stabilization of municipal solid waste in bioreactor landfills. In the present study, efforts were made to enhance the stabilization rate of municipal solid waste (MSW) and organic solid waste (OSW) in simulated landfill bioreactors by controlling the pH of recirculated leachate towards slightly alkaline side in absence of additional buffer and nutrients addition. Enhanced stabilization in waste samples was monitored with the help of analytical tools like Fourier Transform Infrared Spectroscopy (FTIR) and X-Ray Diffraction (XRD). Predominance of bands assigned to inorganic compounds and comparatively lower intensities of bands for organic compounds in the FTIR spectra of waste samples degraded with leachate recirculation under controlled pH confirmed higher rate of biodegradation and mineralization of waste than the samples degraded without controlled leachate recirculation. XRD spectra also confirmed to a greater extent of mineralization in the waste samples degraded under leachate recirculation with controlled pH. Comparison of XRD spectra of two types of wastes pointed out higher degree of mineralization in organic solid waste as compared to municipal solid waste.

[Study on the vibrational spectra and XRD characters of Huanglong jade from Longling County, Yunnan Province].

PubMed

Pei, Jing-cheng; Fan, Lu-wei; Xie, Hao

2014-12-01

Based on the conventional test methods, the infrared absorption spectrum, Raman spectrum and X-ray diffraction (XRD) were employed to study the characters of the vibration spectrum and mineral composition of Huanglong jade. The testing results show that Huanglong jade shows typical vibrational spectrum characteristics of quartziferous jade. The main infrared absorption bands at 1162, 1076, 800, 779, 691, 530 and 466 cm(-1) were induced by the asymmetric stretching vibration, symmetrical stretching vibration and bending vibration of Si-O-Si separately. Especially the absorption band near 800 cm(-1) is split, which indicates that Huanglong jade has good crystallinity. In Raman spectrum, the main strong vibration bands at 463 and 355 cm(-1) were attributed to bending vibration of Si-O-Si. XRD test confirmed that Quartz is main mineral composition of Huanglong jade and there is a small amount of hematite in red color samples which induced the red color of Huanglong jade. This is the first report on the infrared, Raman and XRD spectra feature of Huanglong jade. It will provide a scientific basis for the identification, naming and other research for huanglong jade.

Peak phosphorus - peak food? The need to close the phosphorus cycle.

PubMed

Rhodes, Christopher J

2013-01-01

The peak in the world production of phosphorus has been predicted to occur in 2033, based on world reserves of rock phosphate (URR) reckoned at around 24,000 million tonnes (Mt), with around 18,000 Mt remaining. This figure was reckoned-up to 71,000 Mt, by the USGS, in 2012, but a production maximum during the present century is still highly probable. There are complex issues over what the demand will be for phosphorus in the future, as measured against a rising population (from 7 billion to over 9 billion in 2050), and a greater per capita demand for fertiliser to grow more grain, in part to feed animals and meet a rising demand for meat by a human species that is not merely more populous but more affluent. As a counterweight to this, we may expect that greater efficiencies in the use of phosphorus - including recycling from farms and of human and animal waste - will reduce the per capita demand for phosphate rock. The unseen game changer is peak oil, since phosphate is mined and recovered using machinery powered by liquid fuels refined from crude oil. Hence, peak oil and peak phosphorus might appear as conjoined twins. There is no unequivocal case that we can afford to ignore the likelihood of a supply-demand gap for phosphorus occurring sometime this century, and it would be perilous to do so.

High temperature XRD of Cu{sub 2.1}Zn{sub 0.9}SnSe{sub 4}

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

Chetty, Raju, E-mail: rcmallik@physics.iisc.ernet.in; Mallik, Ramesh Chandra, E-mail: rcmallik@physics.iisc.ernet.in

2014-04-24

Quaternary compound with chemical composition Cu{sub 2.1}Zn{sub 0.9}SnSe{sub 4} is prepared by solid state synthesis. High temperature XRD (X-Ray Diffraction) of this compound is used in studying the effect of temperature on lattice parameters and thermal expansion coefficients. Thermal expansion coefficient is one of the important quantities in evaluating the Grüneisen parameter which further useful in determining the lattice thermal conductivity of the material. The high temperature XRD of the material revealed that the lattice parameters as well as thermal expansion coefficients of the material increased with increase in temperature which confirms the presence of anharmonicty.

The shifting seasonality of productivity in California during the 2015 drought

NASA Astrophysics Data System (ADS)

Yang, X.; Lee, J. E.

2016-12-01

Drought can significantly affect the ecosystem productivity through increasing surface temperature and reducing water availability. Accurately assessing how drought impacts the ecosystem productivity is critical to understand the terrestrial carbon cycle and food security; however, the assessment has been unclear partly because of lacking spatially-explicit means of measuring photosynthesis. The 2012-2015 California drought is considered to be one of the largest droughts in California during the last 1000 years. Here we used multiple satellite products including the ground meteorological and eddy covariance measurements and solar-induced chlorophyll fluorescence (SIF), a proxy for terrestrial productivity, to estimate the change in the seasonal gross primary productivity (GPP) in California during the drought years, especially in 2015 when the drought was at its fourth consecutive year. We show that with the decreasing water availability since 2012, SIF of all four vegetation types (forests, crops, savannas, and grasslands) showed significant decrease, shifting the peak-growing season about a month earlier, similar to the shift observed from the available flux-tower measurements. During 2015, vegetation productivity in forests and savannas increased in the spring (Jan-Apr) due to warm temperature and increased rainfall in the previous year, but the enhancement quickly diminished due to reduction in soil moisture. Overall, GPP decreased in more than 70% of the vegetation in California, and 50-70% of the vegetation display a negative abnormality beyond one standard deviation from the normal trend. Eddy covariance tower measurements suggested that the net carbon storage also decreased as a result of greater reduction in GPP comparing with the ecosystem respiration. We conclude that an increase in future drought events and intensity would likely shift the peak growing season earlier and shorten the growing season.

PONDEROSA, an automated 3D-NOESY peak picking program, enables automated protein structure determination

PubMed Central

Lee, Woonghee; Kim, Jin Hae; Westler, William M.; Markley, John L.

2011-01-01

Summary: PONDEROSA (Peak-picking Of Noe Data Enabled by Restriction of Shift Assignments) accepts input information consisting of a protein sequence, backbone and sidechain NMR resonance assignments, and 3D-NOESY (13C-edited and/or 15N-edited) spectra, and returns assignments of NOESY crosspeaks, distance and angle constraints, and a reliable NMR structure represented by a family of conformers. PONDEROSA incorporates and integrates external software packages (TALOS+, STRIDE and CYANA) to carry out different steps in the structure determination. PONDEROSA implements internal functions that identify and validate NOESY peak assignments and assess the quality of the calculated three-dimensional structure of the protein. The robustness of the analysis results from PONDEROSA's hierarchical processing steps that involve iterative interaction among the internal and external modules. PONDEROSA supports a variety of input formats: SPARKY assignment table (.shifts) and spectrum file formats (.ucsf), XEASY proton file format (.prot), and NMR-STAR format (.star). To demonstrate the utility of PONDEROSA, we used the package to determine 3D structures of two proteins: human ubiquitin and Escherichia coli iron-sulfur scaffold protein variant IscU(D39A). The automatically generated structural constraints and ensembles of conformers were as good as or better than those determined previously by much less automated means. Availability: The program, in the form of binary code along with tutorials and reference manuals, is available at http://ponderosa.nmrfam.wisc.edu/. Contact: whlee@nmrfam.wisc.edu; markley@nmrfam.wisc.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:21511715

Spray deposition of highly transparent fluorine doped cadmium oxide thin films

NASA Astrophysics Data System (ADS)

Deokate, R. J.; Pawar, S. M.; Moholkar, A. V.; Sawant, V. S.; Pawar, C. A.; Bhosale, C. H.; Rajpure, K. Y.

2008-01-01

The cadmium oxide (CdO) and F:CdO films have been deposited by spray pyrolysis method using cadmium acetate and ammonium fluoride as precursors for Cd and F ions, respectively. The effect of temperature and F doping on the structural, morphological, optical and Hall effect properties of sprayed CdO thin films was investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), optical absorption and electrical measurement techniques. TGA and DTA studies, indicates the formation of CdO by decomposition of cadmium acetate after 250 °C. XRD patterns reveal that samples are polycrystalline with cubic structure and exhibits (2 0 0) preferential orientation. Considerable broading of (2 0 0) peak, simultaneous shifting of corresponding Bragg's angle have been observed with respect to F doping level. SEM and AFM show the heterogeneous distribution of cubical grains all over the substrate, which are randomly distributed. F doping shifts the optical gap along with the increase in the transparency of CdO films. The Hall effect measurement indicates that the resistivity and mobility decrease up to 4% F doping.

How to use your peak flow meter

MedlinePlus

Peak flow meter - how to use; Asthma - peak flow meter; Reactive airway disease - peak flow meter; Bronchial asthma - peak flow meter ... your airways are narrowed and blocked due to asthma, your peak flow values drop. You can check ...

Reversible photo-induced trap formation in mixed-halide hybrid perovskites for photovoltaics.

PubMed

Hoke, Eric T; Slotcavage, Daniel J; Dohner, Emma R; Bowring, Andrea R; Karunadasa, Hemamala I; McGehee, Michael D

2015-01-01

We report on reversible, light-induced transformations in (CH 3 NH 3 )Pb(Br x I 1- x ) 3 . Photoluminescence (PL) spectra of these perovskites develop a new, red-shifted peak at 1.68 eV that grows in intensity under constant, 1-sun illumination in less than a minute. This is accompanied by an increase in sub-bandgap absorption at ∼1.7 eV, indicating the formation of luminescent trap states. Light soaking causes a splitting of X-ray diffraction (XRD) peaks, suggesting segregation into two crystalline phases. Surprisingly, these photo-induced changes are fully reversible; the XRD patterns and the PL and absorption spectra revert to their initial states after the materials are left for a few minutes in the dark. We speculate that photoexcitation may cause halide segregation into iodide-rich minority and bromide-enriched majority domains, the former acting as a recombination center trap. This instability may limit achievable voltages from some mixed-halide perovskite solar cells and could have implications for the photostability of halide perovskites used in optoelectronics.

Mineralogical Composition of the Mexican Ordinary Chondrite Type Meteorite: A Raman, Infrared and XRD Study

NASA Astrophysics Data System (ADS)

Ostrooumov, M.

2016-08-01

The Raman microprobe (RMP), infrared (IR) and XRD analysis have been applied to the examination of mineralogical composition of seven mexican meteorites: Aldama, Cosina, El Pozo, Escalon, Nuevo Mercurio,Pacula, Zapotitlan Salinas.

Comparative investigation of Fourier Transform Infrared (FT-IR) spectroscopy and X-ray Diffraction (XRD) in the determination of cotton fiber crystallinity

USDA-ARS?s Scientific Manuscript database

Despite considerable efforts in developing the curve-fitting protocol to evaluate the crystallinity index (CI) from the X-ray diffraction (XRD) measurement, in its present state XRD procedure can only provide a qualitative or semi-quantitative assessment of the amounts of crystalline or amorphous po...

Peak-flow frequency relations and evaluation of the peak-flow gaging network in Nebraska

USGS Publications Warehouse

Soenksen, Philip J.; Miller, Lisa D.; Sharpe, Jennifer B.; Watton, Jason R.

1999-01-01

Estimates of peak-flow magnitude and frequency are required for the efficient design of structures that convey flood flows or occupy floodways, such as bridges, culverts, and roads. The U.S. Geological Survey, in cooperation with the Nebraska Department of Roads, conducted a study to update peak-flow frequency analyses for selected streamflow-gaging stations, develop a new set of peak-flow frequency relations for ungaged streams, and evaluate the peak-flow gaging-station network for Nebraska. Data from stations located in or within about 50 miles of Nebraska were analyzed using guidelines of the Interagency Advisory Committee on Water Data in Bulletin 17B. New generalized skew relations were developed for use in frequency analyses of unregulated streams. Thirty-three drainage-basin characteristics related to morphology, soils, and precipitation were quantified using a geographic information system, related computer programs, and digital spatial data.For unregulated streams, eight sets of regional regression equations relating drainage-basin to peak-flow characteristics were developed for seven regions of the state using a generalized least squares procedure. Two sets of regional peak-flow frequency equations were developed for basins with average soil permeability greater than 4 inches per hour, and six sets of equations were developed for specific geographic areas, usually based on drainage-basin boundaries. Standard errors of estimate for the 100-year frequency equations (1percent probability) ranged from 12.1 to 63.8 percent. For regulated reaches of nine streams, graphs of peak flow for standard frequencies and distance upstream of the mouth were estimated.The regional networks of streamflow-gaging stations on unregulated streams were analyzed to evaluate how additional data might affect the average sampling errors of the newly developed peak-flow equations for the 100-year frequency occurrence. Results indicated that data from new stations, rather than more

Single-Source Molecular Precursor for Synthesis of CdS Nanoparticles and Nanoflowers

NASA Astrophysics Data System (ADS)

Salavati-Niasari, Masoud; Sobhani, Azam

2012-04-01

CdS Semiconductor nanostructures were synthesized by using two different methods. Using triphenylphosphine (C18H15P) and oleylamine (C18H37N) as surfactant, CdS semiconductor nanocrystals with a size ranging from 30 to 90 nm can be synthesized by thermal decomposition of precursor [bis(thiosemicarbazide)cadmium(II)]. CdS nanoflowers were synthesized via hydrothermal decomposition of [bis(thiosemicarbazide) cadmium(II)] without any surfactant. X-ray diffraction (XRD) patterns confirm that the resulting samples were a pure hexagonal phase of CdS. The optical property test indicates that the absorption peak of the samples shifts towards short wavelength, and the blue shift phenomenon might be ascribed to the quantum effect.

Evaluation of different time domain peak models using extreme learning machine-based peak detection for EEG signal.

PubMed

Adam, Asrul; Ibrahim, Zuwairie; Mokhtar, Norrima; Shapiai, Mohd Ibrahim; Cumming, Paul; Mubin, Marizan

2016-01-01

Various peak models have been introduced to detect and analyze peaks in the time domain analysis of electroencephalogram (EEG) signals. In general, peak model in the time domain analysis consists of a set of signal parameters, such as amplitude, width, and slope. Models including those proposed by Dumpala, Acir, Liu, and Dingle are routinely used to detect peaks in EEG signals acquired in clinical studies of epilepsy or eye blink. The optimal peak model is the most reliable peak detection performance in a particular application. A fair measure of performance of different models requires a common and unbiased platform. In this study, we evaluate the performance of the four different peak models using the extreme learning machine (ELM)-based peak detection algorithm. We found that the Dingle model gave the best performance, with 72 % accuracy in the analysis of real EEG data. Statistical analysis conferred that the Dingle model afforded significantly better mean testing accuracy than did the Acir and Liu models, which were in the range 37-52 %. Meanwhile, the Dingle model has no significant difference compared to Dumpala model.

[NIR and XRD analysis of drill-hole samples from Zhamuaobao iron-graphite deposit, Inner Mongolia].

PubMed

Li, Ying-kui; Cao, Jian-jin; Wu, Zheng-quan; Dai, Dong-le; Lin, Zu-xu

2015-01-01

The author analyzed the 4202 drill-hole samples from Zhamuaobao iron-graphite deposit by using near infrared spectroscopy(NIR) and X-ray diffraction(XRD) measuring and testing techniques, and then compared and summarized the results of two kinds of testing technology. The results indicate that some difference of the mineral composition exists among different layers, the lithology from upper to deeper is the clay gravel layer of tertiary and quaternary, mudstone, mica quartz schist, quartz actinolite scarn, skarnization marble, iron ore deposits, graphite deposits and mica quartz schist. The petrogenesis in different depth also shows difference, which may indicate the geological characteristic to some extent. The samples had mainly undergone such processes as oxidization, carbonation, chloritization and skarn alteration. The research results can not only improve the geological feature of the mining area, but also have great importance in ore exploration, mining, mineral processing and so on. What's more, as XRD can provide preliminary information about the mineral composition, NIR can make further judgement on the existence of the minerals. The research integrated the advantages of both NIR and XRD measuring and testing techniques, put forward a method with two kinds of modern testing technology combined with each other, which may improve the accuracy of the mineral composition identification. In the meantime, the NIR will be more wildly used in geography on the basis of mineral spectroscopy.

Matching the oculomotor drive during head-restrained and head-unrestrained gaze shifts in monkey.

PubMed

Bechara, Bernard P; Gandhi, Neeraj J

2010-08-01

High-frequency burst neurons in the pons provide the eye velocity command (equivalently, the primary oculomotor drive) to the abducens nucleus for generation of the horizontal component of both head-restrained (HR) and head-unrestrained (HU) gaze shifts. We sought to characterize how gaze and its eye-in-head component differ when an "identical" oculomotor drive is used to produce HR and HU movements. To address this objective, the activities of pontine burst neurons were recorded during horizontal HR and HU gaze shifts. The burst profile recorded on each HU trial was compared with the burst waveform of every HR trial obtained for the same neuron. The oculomotor drive was assumed to be comparable for the pair yielding the lowest root-mean-squared error. For matched pairs of HR and HU trials, the peak eye-in-head velocity was substantially smaller in the HU condition, and the reduction was usually greater than the peak head velocity of the HU trial. A time-varying attenuation index, defined as the difference in HR and HU eye velocity waveforms divided by head velocity [alpha = (H(hr) - E(hu))/H] was computed. The index was variable at the onset of the gaze shift, but it settled at values several times greater than 1. The index then decreased gradually during the movement and stabilized at 1 around the end of gaze shift. These results imply that substantial attenuation in eye velocity occurs, at least partially, downstream of the burst neurons. We speculate on the potential roles of burst-tonic neurons in the neural integrator and various cell types in the vestibular nuclei in mediating the attenuation in eye velocity in the presence of head movements.

Evaluation of the effect of roasting process on the energy transition and the crystalline structures of Arabica, Robusta, and Liberica coffee from Jambi Indonesia

NASA Astrophysics Data System (ADS)

Perdana, B. M.; Manihuruk, R.; Ashyar, R.; Heriyanti; Sutrisno

2018-04-01

The effect of the roasting process has been evaluated to determine of the energy transition and the crystalline structure of three types of coffee, Arabica, Robusta, and Liberica coffee both green and roasted coffee with the roasted temperature at 200°C and 230°C. The crystalline structure of the coffee was evaluated with X-ray powder diffraction (XRD). The result exposes that the three types of green coffee showed that an amorphous structure whereas the roasted coffee denotes a crystal structure of sucrose. The varied temperature in the roasting process leads to changes in the crystal structure shown by the peak shift of 2θ for all types of coffee. The added cations, such as Fe2+, Ca2+, and Mg2+ ions on Liberica coffee induced of changes in the crystal structures, which are assigned by the peak shift, that imply of metal ions of the sucrose complexes happened in the solution, except for the addition of Mg2+ ion.

Origin of weak lensing convergence peaks

NASA Astrophysics Data System (ADS)

Liu, Jia; Haiman, Zoltán

2016-08-01

Weak lensing convergence peaks are a promising tool to probe nonlinear structure evolution at late times, providing additional cosmological information beyond second-order statistics. Previous theoretical and observational studies have shown that the cosmological constraints on Ωm and σ8 are improved by a factor of up to ≈2 when peak counts and second-order statistics are combined, compared to using the latter alone. We study the origin of lensing peaks using observational data from the 154 deg2 Canada-France-Hawaii Telescope Lensing Survey. We found that while high peaks (with height κ >3.5 σκ , where σκ is the rms of the convergence κ ) are typically due to one single massive halo of ≈1 015M⊙ , low peaks (κ ≲σκ ) are associated with constellations of 2-8 smaller halos (≲1 013M⊙ ). In addition, halos responsible for forming low peaks are found to be significantly offset from the line of sight towards the peak center (impact parameter ≳ their virial radii), compared with ≈0.25 virial radii for halos linked with high peaks, hinting that low peaks are more immune to baryonic processes whose impact is confined to the inner regions of the dark matter halos. Our findings are in good agreement with results from the simulation work by Yang et al. [Phys. Rev. D 84, 043529 (2011)].

Prolonged noise exposure-induced auditory threshold shifts in rats

PubMed Central

Chen, Guang-Di; Decker, Brandon; Muthaiah, Vijaya Prakash Krishnan; Sheppard, Adam; Salvi, Richard

2014-01-01

Noise-induced hearing loss (NIHL) initially increases with exposure duration, but eventually reaches an asymptotic threshold shift (ATS) once the exposure duration exceeds 18-24 h. Equations for predicting the ATS have been developed for several species, but not for rats, even though this species is extensively used in noise exposure research. To fill this void, we exposed rats to narrowband noise (NBN, 16-20 kHz) for 5 weeks starting at 80 dB SPL in the first week and then increasing the level by 6 dB per week to a final level of 104 dB SPL. Auditory brainstem responses (ABR) were recorded before, during, and following the exposure to determine the amount of hearing loss. The noise induced threshold shift to continuous long-term exposure, defined as compound threshold shift (CTS), within and above 16-20 kHz increased with noise level at the rate of 1.82 dB threshold shift per dB of noise level (NL) above a critical level (C) of 77.2 dB SPL i.e. CTS = 1.82(NL-77.2). The normalized amplitude of the largest ABR peak measured at 100 dB SPL decreased at the rate of 3.1% per dB of NL above the critical level of 76.9 dB SPL, i.e., %ABR Reduction = 3.1%(NL-76.9). ABR thresholds measured >30 days post-exposure only partially recovered resulting in a permanent threshold shift of 30-40 dB along with severe hair cell loss in the basal, high-frequency region of the cochlea. In the rat, CTS increases with noise level with a slope similar to humans and chinchillas. The critical level (C) in the rat is similar to that of humans, but higher than that of chinchillas. PMID:25219503

Multiscale peak detection in wavelet space.

PubMed

Zhang, Zhi-Min; Tong, Xia; Peng, Ying; Ma, Pan; Zhang, Ming-Jin; Lu, Hong-Mei; Chen, Xiao-Qing; Liang, Yi-Zeng

2015-12-07

Accurate peak detection is essential for analyzing high-throughput datasets generated by analytical instruments. Derivatives with noise reduction and matched filtration are frequently used, but they are sensitive to baseline variations, random noise and deviations in the peak shape. A continuous wavelet transform (CWT)-based method is more practical and popular in this situation, which can increase the accuracy and reliability by identifying peaks across scales in wavelet space and implicitly removing noise as well as the baseline. However, its computational load is relatively high and the estimated features of peaks may not be accurate in the case of peaks that are overlapping, dense or weak. In this study, we present multi-scale peak detection (MSPD) by taking full advantage of additional information in wavelet space including ridges, valleys, and zero-crossings. It can achieve a high accuracy by thresholding each detected peak with the maximum of its ridge. It has been comprehensively evaluated with MALDI-TOF spectra in proteomics, the CAMDA 2006 SELDI dataset as well as the Romanian database of Raman spectra, which is particularly suitable for detecting peaks in high-throughput analytical signals. Receiver operating characteristic (ROC) curves show that MSPD can detect more true peaks while keeping the false discovery rate lower than MassSpecWavelet and MALDIquant methods. Superior results in Raman spectra suggest that MSPD seems to be a more universal method for peak detection. MSPD has been designed and implemented efficiently in Python and Cython. It is available as an open source package at .

Shifts in fisheries management: adapting to regime shifts

PubMed Central

King, Jacquelynne R.; McFarlane, Gordon A.; Punt, André E.

2015-01-01

For many years, fisheries management was based on optimizing yield and maintaining a target biomass, with little regard given to low-frequency environmental forcing. However, this policy was often unsuccessful. In the last two to three decades, fisheries science and management have undergone a shift towards balancing sustainable yield with conservation, with the goal of including ecosystem considerations in decision-making frameworks. Scientific understanding of low-frequency climate–ocean variability, which is manifested as ecosystem regime shifts and states, has led to attempts to incorporate these shifts and states into fisheries assessment and management. To date, operationalizing these attempts to provide tactical advice has met with limited success. We review efforts to incorporate regime shifts and states into the assessment and management of fisheries resources, propose directions for future investigation and outline a potential framework to include regime shifts and changes in ecosystem states into fisheries management.

Impulsive Raman spectroscopy via precision measurement of frequency shift with low energy excitation.

PubMed

Raanan, Dekel; Ren, Liqing; Oron, Dan; Silberberg, Yaron

2018-02-01

Stimulated Raman scattering (SRS) has recently become useful for chemically selective bioimaging. It is usually measured via modulation transfer from the pump beam to the Stokes beam. Impulsive stimulated Raman spectroscopy, on the other hand, relies on the spectral shift of ultrashort pulses as they propagate in a Raman active sample. This method was considered impractical with low energy pulses since the observed shifts are very small compared to the excitation pulse bandwidth, spanning many terahertz. Here we present a new apparatus, using tools borrowed from the field of precision measurement, for the detection of low-frequency Raman lines via stimulated-Raman-scattering-induced spectral shifts. This method does not require any spectral filtration and is therefore an excellent candidate to resolve low-lying Raman lines (<200  cm -1 ), which are commonly masked by the strong Rayleigh scattering peak. Having the advantage of the high repetition rate of the ultrafast oscillator, we reduce the noise level by implementing a lock-in detection scheme with a wavelength shift sensitivity well below 100 fm. This is demonstrated by the measurement of low-frequency Raman lines of various liquid samples.

Peak-discharge frequency and potential extreme peak discharge for natural streams in the Brazos River basin, Texas

USGS Publications Warehouse

Raines, Timothy H.

1998-01-01

The potential extreme peak-discharge curves as related to contributing drainage area were estimated for each of the three hydrologic regions from measured extreme peaks of record at 186 sites with streamflow-gaging stations and from measured extreme peaks at 37 sites without streamflow-gaging stations in and near the Brazos River Basin. The potential extreme peak-discharge curves generally are similar for hydrologic regions 1 and 2, and the curve for region 3 consistently is below the curves for regions 1 and 2, which indicates smaller peak discharges.

Time evolution, Lamb shift, and emission spectra of spontaneous emission of two identical atoms

NASA Astrophysics Data System (ADS)

Wang, Da-Wei; Li, Zheng-Hong; Zheng, Hang; Zhu, Shi-Yao

2010-04-01

A unitary transformation method is used to investigate the dynamic evolution of two multilevel atoms, in the basis of symmetric and antisymmetric states, with one atom being initially prepared in the first excited state and the other in the ground state. The unitary transformation guarantees that our calculations are based on the ground state of the atom-field system and the self-energy is subtracted at the beginning. The total Lamb shifts of the symmetric and antisymmetric states are divided into transformed shift and dynamic shift. The transformed shift is due to emitting and reabsorbing of virtual photons, by a single atom (nondynamic single atomic shift) and between the two atoms (quasi-static shift). The dynamic shift is due to the emitting and reabsorbing of real photons, by a single atom (dynamic single atomic shift) and between the two atoms (dynamic interatomic shift). The emitting and reabsorbing of virtual and real photons between the two atoms result in the interatomic shift, which does not exist for the one-atom case. The spectra at the long-time limit are calculated. If the distance between the two atoms is shorter than or comparable to the wavelength, the strong coupling between the two atoms splits the spectrum into two peaks, one from the symmetric state and the other from the antisymmetric state. The origin of the red or blue shifts for the symmetric and antisymmetric states mainly lies in the negative or positive interaction energy between the two atoms. In the investigation of the short time evolution, we find the modification of the effective density of states by the interaction between two atoms can modulate the quantum Zeno and quantum anti-Zeno effects in the decays of the symmetric and antisymmetric states.

Can You Hear That Peak? Utilization of Auditory and Visual Feedback at Peak Limb Velocity.

PubMed

Loria, Tristan; de Grosbois, John; Tremblay, Luc

2016-09-01

At rest, the central nervous system combines and integrates multisensory cues to yield an optimal percept. When engaging in action, the relative weighing of sensory modalities has been shown to be altered. Because the timing of peak velocity is the critical moment in some goal-directed movements (e.g., overarm throwing), the current study sought to test whether visual and auditory cues are optimally integrated at that specific kinematic marker when it is the critical part of the trajectory. Participants performed an upper-limb movement in which they were required to reach their peak limb velocity when the right index finger intersected a virtual target (i.e., a flinging movement). Brief auditory, visual, or audiovisual feedback (i.e., 20 ms in duration) was provided to participants at peak limb velocity. Performance was assessed primarily through the resultant position of peak limb velocity and the variability of that position. Relative to when no feedback was provided, auditory feedback significantly reduced the resultant endpoint variability of the finger position at peak limb velocity. However, no such reductions were found for the visual or audiovisual feedback conditions. Further, providing both auditory and visual cues concurrently also failed to yield the theoretically predicted improvements in endpoint variability. Overall, the central nervous system can make significant use of an auditory cue but may not optimally integrate a visual and auditory cue at peak limb velocity, when peak velocity is the critical part of the trajectory.

[Infrared spectroscopy and XRD studies of coral fossils].

PubMed

Chen, Quan-li; Zhou, Guan-min; Yin, Zuo-wei

2012-08-01

Coral fossil is an old remain of multicellular animal on the earth, and formed by various geological processes. The structural characteristics and compositions of the coral fossils with different color and radial texture on the surface were studied by infrared absorption spectroscopy and X-ray powder diffraction analyses. The results show that the studied coral fossils mainly are composed of SiO2, and the radial microstructure characterized by the calcareous coral cross-section is preserved. It is formed by metasomatism by SiO2. The infrared absorption spectra of the coral fossil with different color and texture are essentially the same, showing typical infrared absorption spectra of the quartz jade. XRD analysis shows that the main components of the coral fossils with different color and texture are consistent and mainly composed of SiO2 with a trace amount of other minerals and without CaCO3.

Red/blue-shift dual-directional regulation of α-(Ca, Sr)2SiO4:Eu(2+) phosphors resulting from the incorporation content of Eu(2+)/Sr(2+) ions.

PubMed

Lu, Zhijuan; Mao, Zhiyong; Chen, Jingjing; Wang, Dajian

2015-09-21

In this work, tunable emission from green to red and the inverse tuning from red to green in α-(Ca, Sr)2SiO4:Eu(2+) phosphors were demonstrated magically by varying the incorporation content of Eu(2+) and Sr(2+) ions, respectively. The tunable emission properties and the tuning mechanism of red-shift resulting from the Eu(2+) content as well as that of blue-shift induced by the Sr(2+) content were investigated in detail. As a result of fine-controlling the incorporation content of Eu(2+), the emission peak red-shifts from 541 nm to 640 nm. On the other hand, the emission peak inversely blue-shifts from 640 nm to 546 nm through fine-adjusting the incorporation content of Sr(2+). The excellent tuning characteristics for α-(Ca, Sr)2SiO4:Eu(2+) phosphors presented in this work exhibited their various application prospects in solid-state lighting combining with a blue chip or a near-UV chip.

Adaptation Shifts Preferred Orientation of Tuning Curve in the Mouse Visual Cortex

PubMed Central

Jeyabalaratnam, Jeyadarshan; Bharmauria, Vishal; Bachatene, Lyes; Cattan, Sarah; Angers, Annie; Molotchnikoff, Stéphane

2013-01-01

In frontalized mammals it has been demonstrated that adaptation produces shift of the peak of the orientation tuning curve of neuron following frequent or lengthier presentation of a non-preferred stimulus. Depending on the duration of adaptation the shift is attractive (toward the adapter) or repulsive (away from the adapter). Mouse exhibits a salt-and-pepper cortical organization of orientation maps, hence this species may respond differently to adaptation. To examine this question, we determined the effect of twelve minutes of adaptation to one particular orientation on neuronal orientation tuning curves in V1 of anesthetized mice. Multi-unit activity of neurons in V1 was recorded in a conventional fashion. Cells were stimulated with sine-wave drifting gratings whose orientation tilted in steps. Results revealed that similarly to cats and monkeys, majority of cells shifted their optimal orientation in the direction of the adapter while a small proportion exhibited a repulsive shift. Moreover, initially untuned cells showing poor tuning curves reacted to adaptation by displaying sharp orientation selectivity. It seems that modification of the cellular property following adaptation is a general phenomenon observed in all mammals in spite of the different organization pattern of the visual cortex. This study is of pertinence to comprehend the mechanistic pathways of brain plasticity. PMID:23717586

Compensation for pitch-shifted auditory feedback during the production of Mandarin tone sequences

NASA Astrophysics Data System (ADS)

Xu, Yi; Larson, Charles R.; Bauer, Jay J.; Hain, Timothy C.

2004-08-01

Recent research has found that while speaking, subjects react to perturbations in pitch of voice auditory feedback by changing their voice fundamental frequency (F0) to compensate for the perceived pitch-shift. The long response latencies (150-200 ms) suggest they may be too slow to assist in on-line control of the local pitch contour patterns associated with lexical tones on a syllable-to-syllable basis. In the present study, we introduced pitch-shifted auditory feedback to native speakers of Mandarin Chinese while they produced disyllabic sequences /ma ma/ with different tonal combinations at a natural speaking rate. Voice F0 response latencies (100-150 ms) to the pitch perturbations were shorter than syllable durations reported elsewhere. Response magnitudes increased from 50 cents during static tone to 85 cents during dynamic tone productions. Response latencies and peak times decreased in phrases involving a dynamic change in F0. The larger response magnitudes and shorter latency and peak times in tasks requiring accurate, dynamic control of F0, indicate this automatic system for regulation of voice F0 may be task-dependent. These findings suggest that auditory feedback may be used to help regulate voice F0 during production of bi-tonal Mandarin phrases.

Coherent 3D nanostructure of γ-Al{sub 2}O{sub 3}: Simulation of whole X-ray powder diffraction pattern

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

Pakharukova, V.P., E-mail: verapakh@catalysis.ru; Novosibirsk State University, Pirogova Street 2, 630090 Novosibirsk; Research and Educational Center for Energy Efficient Catalysis, Novosibirsk State University, Novosibirsk 630090

2017-02-15

The structure and nanostructure features of nanocrystalline γ-Al{sub 2}O{sub 3} obtained by dehydration of boehmite with anisotropic platelet-shaped particles were investigated. The original models of 3D coherent nanostructure of γ-Al{sub 2}O{sub 3} were constructed. The models of nanostructured γ-Al{sub 2}O{sub 3} particles were first confirmed by a direct simulation of powder X–Ray diffraction (XRD) patterns using the Debye Scattering Equation (DSE) with assistance of high-resolution transmission electron microscopy (HRTEM) study. The average crystal structure of γ-Al{sub 2}O{sub 3} was shown to be tetragonally distorted. The experimental results revealed that thin γ-Al{sub 2}O{sub 3} platelets were heterogeneous on a nanometer scalemore » and nanometer-sized building blocks were separated by partially coherent interfaces. The XRD simulation results showed that a specific packing of the primary crystalline blocks in the nanostructured γ-Al{sub 2}O{sub 3} particles with formation of planar defects on (001), (100), and (101) planes nicely accounted for pronounced diffuse scattering, anisotropic peak broadening and peak shifts in the experimental XRD pattern. The identified planar defects in cation sublattice seem to be described as filling cation non-spinel sites in existing crystallographic models of γ-Al{sub 2}O{sub 3} structure. The overall findings provided an insight into the complex nanostructure, which is intrinsic to the metastable γ-Al{sub 2}O{sub 3} oxide. - Highlights: • Thin plate-like crystallites of γ-Al{sub 2}O{sub 3} were obtained. • Models of 3D coherent nanostructure of γ-Al{sub 2}O{sub 3} were constructed. • Models were verified by simulating XRD patterns using the Debye Scattering Equation. • Specific broadening of XRD peaks was explained in terms of planar defects. • Primary crystalline blocks in γ-Al{sub 2}O{sub 3} are separated by partially coherent interfaces.« less

Effect of Bi substitution on the magnetic and magnetocaloric properties of Ni50Mn35In15-xBix Heusler alloys

NASA Astrophysics Data System (ADS)

Aryal, Anil; Quetz, Abdiel; Pandey, Sudip; Dubenko, Igor; Stadler, Shane; Ali, Naushad

2018-05-01

The structural, magnetic, magnetocaloric, and transport properties of Ni50Mn35In15-xBix (x = 0, 0.25, 0.5, 1, 1.5) compounds has been studied through X-ray diffraction (XRD), differential scanning calorimetry, and magnetization measurements. A mixture of high temperature austenite phase (AP) and low temperature martensitic phase (MP) was observed from the XRD at room temperature. The saturation magnetization MS at 10 K was found to decrease with increasing Bi content. A shift in the martensitic transition temperature (TM) relative to the parent compound was observed with a maximum shift of ˜ 36 K for x = 1.5. Abnormal shifts in TC and TM to higher temperatures were observed at high field for x ≥ 0.5. Large magnetic entropy changes (ΔSM) of about 40 J/kg K (x = 0) and 34 J/kg K (x = 0.25) were observed at TM with H = 5 T, which reduced significantly for higher Bi concentrations. The doping of small amounts of Bi in the In sites increased the peak width of the ΔSM curves at the second order transition, leading to larger values of relative cooling power. A significant magnetoresistance (-30%) was observed near TM with ΔH = 5T for x = 0.5.

A model to forecast peak spreading.

DOT National Transportation Integrated Search

2012-04-01

As traffic congestion increases, the K-factor, defined as the proportion of the 24-hour traffic volume that occurs during the peak hour, may decrease. This behavioral response is known as peak spreading: as congestion grows during the peak travel tim...

Structural and spectroscopic study of mechanically synthesized SnO{sub 2} nanostructures

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

Vij, Ankush, E-mail: vij-anx@yahoo.com; Kumar, Ravi; Presently at Beant College of Engineering and Technology, Gurdaspur-143521

2016-05-23

We report the single step synthesis of SnO{sub 2} nanostructures using high energy mechanical attrition method. X-ray diffraction (XRD) pattern reveals the single phase rutile structure with appreciable broadening of diffraction peaks, which is a signature of nanostructure formation. The average crystallite size of SnO{sub 2} nanostructures has been calculated to be ~15 nm. The micro-Raman study reveals the shifting of A{sub 1g} Raman mode towards lower wave number, which is correlated with the nanostructure formation.

Investigation of irradiation effects induced by self-ion in 6H-SiC combining RBS/C, Raman and XRD

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

Chaabane, Nihed; Debelle, Aurelien; Sattonnay, Gael

2012-01-01

Single crystals of 6H-SiC were irradiated at room temperature and 670 K with 4 MeV C ions at two fluences: 1015 and 1016 cm2 (0.16 and 1.6 dpa at the damage peak). Damage accumulation was studied by a combination of X-ray diffraction (XRD), Raman spectroscopy and Rutherford backscattering spectrometry in channelling geometry (RBS/C) along the [0001] direction. The irradiated layer is found to be composed of a low damage region up to 1.5 lm followed by a region where the disorder level is higher, consistent with SRIM predictions. At room temperature and low fluence, typically 1015 cm2, the strain depthmore » profile follows the dpa depth distribution (with a maximum value of 2%). The disorder is most likely due to small defect clusters. When increasing the fluence up to 1016 cm2, a buried amorphous layer forms, as indicated by e.g. Raman results where the Si C bands become broader or even disappear. At a higher irradiation temperature of 670 K, amorphization is not observed at the same fluence, revealing a dynamic annealing process. However, results tend to suggest that the irradiated layer is highly heterogeneous and composed of different types of defects.« less

Reducing Gridlock on the Grid: Utility Trends in Managing Peak Electric Load through Residential Demand Response

NASA Astrophysics Data System (ADS)

McDonald, Betsy

Utilities across the United States are piloting residential demand response programs to help manage peak electric demand. Using publicly available program evaluations, this thesis analyzes nine such programs to uncover and synthesize the range of program offerings, goals, enrollment strategies, and customer experiences. This review reveals that program participation, components, and results differ based on a variety of factors, including geographic characteristics, program goals, and implementation strategies. The diversity of program designs and evaluation findings suggests an underlying tension between the need to generate cost-effective program impacts and the desire to increase accessibility so that program benefits are not exclusive to certain segments of the population. For more significant and impactful engagement, program goals may need to shift. State level policy support could help shift program goals toward increasing program accessibility. Future research should explore creative strategies that target existing barriers and allow for more inclusive deployment.

Control of the permeability loss-peak frequency of Ni81Fe19 thin films through laser ablation of triangular and square cluster geometries

NASA Technical Reports Server (NTRS)

Grimes, C. A.; Lumpp, J. K.

2000-01-01

Laser ablation arrays of triangular and square shaped clusters, comprised of 23 micrometers diam circular holes, are defined upon 100 nm thick Ni81Fe19 films used to control the rf permeability spectra. Cluster-to-cluster spacing is varied from 200 to 600 micrometers. For each geometry it is found that the loss peak frequency and permeability magnitude shift lower, in a step-wise fashion, at a cluster-to-cluster spacing between 275 and 300 micrometers. The nonlinear shift in the behavior of the permeability spectra correlates with a dramatic increase in domain wall density. c2000 American Institute of Physics.

A novel fast phase correlation algorithm for peak wavelength detection of Fiber Bragg Grating sensors.

PubMed

Lamberti, A; Vanlanduit, S; De Pauw, B; Berghmans, F

2014-03-24

Fiber Bragg Gratings (FBGs) can be used as sensors for strain, temperature and pressure measurements. For this purpose, the ability to determine the Bragg peak wavelength with adequate wavelength resolution and accuracy is essential. However, conventional peak detection techniques, such as the maximum detection algorithm, can yield inaccurate and imprecise results, especially when the Signal to Noise Ratio (SNR) and the wavelength resolution are poor. Other techniques, such as the cross-correlation demodulation algorithm are more precise and accurate but require a considerable higher computational effort. To overcome these problems, we developed a novel fast phase correlation (FPC) peak detection algorithm, which computes the wavelength shift in the reflected spectrum of a FBG sensor. This paper analyzes the performance of the FPC algorithm for different values of the SNR and wavelength resolution. Using simulations and experiments, we compared the FPC with the maximum detection and cross-correlation algorithms. The FPC method demonstrated a detection precision and accuracy comparable with those of cross-correlation demodulation and considerably higher than those obtained with the maximum detection technique. Additionally, FPC showed to be about 50 times faster than the cross-correlation. It is therefore a promising tool for future implementation in real-time systems or in embedded hardware intended for FBG sensor interrogation.

Shift Work and Shift Work Sleep Disorder: Clinical and Organizational Perspectives.

PubMed

Wickwire, Emerson M; Geiger-Brown, Jeanne; Scharf, Steven M; Drake, Christopher L

2017-05-01

Throughout the industrialized world, nearly one in five employees works some form of nontraditional shift. Such shift work is associated with numerous negative health consequences, ranging from cognitive complaints to cancer, as well as diminished quality of life. Furthermore, a substantial percentage of shift workers develop shift work disorder, a circadian rhythm sleep disorder characterized by excessive sleepiness, insomnia, or both as a result of shift work. In addition to adverse health consequences and diminished quality of life at the individual level, shift work disorder incurs significant costs to employers through diminished workplace performance and increased accidents and errors. Nonetheless, shift work will remain a vital component of the modern economy. This article reviews seminal and recent literature regarding shift work, with an eye toward real-world application in clinical and organizational settings. Copyright © 2016 American College of Chest Physicians. Published by Elsevier Inc. All rights reserved.

The double peaks and symmetric path phenomena in the catalytic activity of Pd/Al2O3-TiO2 catalysts with different TiO2 contents

NASA Astrophysics Data System (ADS)

Zhang, Shen; Guo, Yuyu; Li, Xingying; Wu, Xu; Li, Zhe

2018-06-01

Physicochemical properties of Pd/Al2O3-TiO2 catalysts with different amounts of TiO2 contents were investigated by XRD, nitrogen adsorption-desorption, FTIR, NH3-TPD, H2-TPR and XPS techniques. Catalysts of different compositions were tested in the ethanol oxidation reaction to study the effects of TiO2 contents. Double peaks and symmetric path phenomena were observed at certain temperatures with the increase in TiO2 contents. The symmetric peak phenomena and the diverse activity fluctuations have been ascribed to the controlling factors such as temperature and compositions. With the increase in TiO2 content, the surface area, adsorbed oxygen contents and surface acid quantity decreased gradually. The large surface area and adsorbed oxygen contents were conducive to the performance, while increased acid amounts were not beneficial for ethanol oxidation. At 150 and 175 °C, Pd/AT(X1

X-Ray Diffraction (XRD) Characterization Methods for Sigma=3 Twin Defects in Cubic Semiconductor (100) Wafers

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Kim, Hyun Jung (Inventor); Skuza, Jonathan R. (Inventor); Lee, Kunik (Inventor); Choi, Sang Hyouk (Inventor); King, Glen C. (Inventor)

2017-01-01

An X-ray defraction (XRD) characterization method for sigma=3 twin defects in cubic semiconductor (100) wafers includes a concentration measurement method and a wafer mapping method for any cubic tetrahedral semiconductor wafers including GaAs (100) wafers and Si (100) wafers. The methods use the cubic semiconductor's (004) pole figure in order to detect sigma=3/{111} twin defects. The XRD methods are applicable to any (100) wafers of tetrahedral cubic semiconductors in the diamond structure (Si, Ge, C) and cubic zinc-blend structure (InP, InGaAs, CdTe, ZnSe, and so on) with various growth methods such as Liquid Encapsulated Czochralski (LEC) growth, Molecular Beam Epitaxy (MBE), Organometallic Vapor Phase Epitaxy (OMVPE), Czochralski growth and Metal Organic Chemical Vapor Deposition (MOCVD) growth.

Manipulating the alkali metal charge compensation and tungsten oxide to continuously enhance the red fluorescence in (Li,Na,K)Ca(Mo,W)O4:Eu3+ solid solution compounds

NASA Astrophysics Data System (ADS)

Xie, Wei; Li, Jiaxin; Tian, Canxin; Wang, Zesong; Xie, Mubiao; Zou, Changwei; Sun, Guohuan; Kang, Fengwen

2018-02-01

When compared to other phosphors typically the blue and green phosphors, red phosphors, which can be used for white light-emitting diodes (wLEDs), always suffer from various problems such as higher cost, lower luminescence efficiency and bad thermal stability. And thus, great interests have been paid to how to enhance the red fluorescence intensity in the recent years. Here we report on a red-emitting solid solutions, (Li,Na,K)Ca(Mo,W)O4:Eu3+, which enable exhibiting continuous Eu3+ emission enhancement through manipulating the alkali metal ions and the relative content ratios between tungsten and molybdenum oxides. X-ray powder diffraction (XRD) has been employed to check the phase purity, and results show that all samples crystallize in a scheelite structure with space group of I41/a (No.88). A regular blue-shifting of XRD peaks, which indicates the increase of crystal plane spacing, appears as the alkali cationic radius increases from 0.92 Å (for Li), 1.18 Å (for Na) and to 1.38 Å (for K). Replacing Mo ion (0.41 Å) by W ion (0.42 Å) enables not only forming the solid solution compounds (Li,Na,K)Ca(Mo,W)O4:Eu3+, but also blue-shifting the XRD position. Similar to the XRD position shifting, our samples also exhibit the regular change in the photoluminescence (PL) spectra, in which the charge transfer (CT) band position as the alkali cationic radii increase from Li, Na and to K and further from Mo to W shows a continuous red-shifting behavior. As for the CT and Eu3+ intensity, our experimental results show that the alkali ion that corresponds to the maximum intensity is Li, and this intensity can be further enhanced by adding W. In coincidence with the change in the excitation spectral intensity, the continuous enhanced Eu3+ emission intensity can be observed up excitation at the CT band and Eu3+ lines. We have discussed the above CT band shifting and Eu3+ fluorescence enhancement and give a feasible mechanism profile that base on the energy transfer from CT

Shift work and the assessment and management of shift work disorder (SWD).

PubMed

Wright, Kenneth P; Bogan, Richard K; Wyatt, James K

2013-02-01

Nearly 20% of the labor force worldwide, work shifts that include work hours outside 07:00 h to 18:00 h. Shift work is common in many occupations that directly affect the health and safety of others (e.g., protective services, transportation, healthcare), whereas quality of life, health, and safety during shift work and the commute home can affect workers in any field. Increasing evidence indicates that shift-work schedules negatively influence worker physiology, health, and safety. Shift work disrupts circadian sleep and alerting cycles, resulting in disturbed daytime sleep and excessive sleepiness during the work shift. Moreover, shift workers are at risk for shift work disorder (SWD). This review focuses on shift work and the assessment and management of sleepiness and sleep disruption associated with shift work schedules and SWD. Management strategies include approaches to promote sleep, wakefulness, and adaptation of the circadian clock to the imposed work schedule. Additional studies are needed to further our understanding of the mechanisms underlying the health risks of shift work, understanding which shift workers are at most risk of SWD, to investigate treatment options that address the health and safety burdens associated with shift work and SWD, and to further develop and assess the comparative effectiveness of countermeasures and treatment options. Copyright © 2012 Elsevier Ltd. All rights reserved.

Hubbert's Peak: A Physicist's View

NASA Astrophysics Data System (ADS)

McDonald, Richard

2011-11-01

Oil and its by-products, as used in manufacturing, agriculture, and transportation, are the lifeblood of today's 7 billion-person population and our 65T world economy. Despite this importance, estimates of future oil production seem dominated by wishful thinking rather than quantitative analysis. Better studies are needed. In 1956, Dr. M.King Hubbert proposed a theory of resource production and applied it successfully to predict peak U.S. oil production in 1970. Thus, the peak of oil production is referred to as ``Hubbert's Peak.'' Prof. Al Bartlett extended this work in publications and lectures on population and oil. Both Hubbert and Bartlett place peak world oil production at a similar time, essentially now. This paper extends this line of work to include analyses of individual countries, inclusion of multiple Gaussian peaks, and analysis of reserves data. While this is not strictly a predictive theory, we will demonstrate a ``closed'' story connecting production, oil-in-place, and reserves. This gives us the ``most likely'' estimate of future oil availability. Finally, we will comment on synthetic oil and the possibility of carbon-neutral synthetic oil for a sustainable future.

Change from slowly rotating 8-hour shifts to rapidly rotating 8-hour and 12-hour shifts using participative shift roster design.

PubMed

Smith, P A; Wright, B M; Mackey, R W; Milsop, H W; Yates, S C

1998-01-01

The study examined the impact of change, from slowly rotating continuous 8-hour shifts to more rapidly rotating continuous 8-hour and 12-hour shifts, on the health and quality of life of shift workers. Self-report survey data were collected from 72 shift workers at 3 sewage treatment plants before and several months after roster change. After the change 1 plant first worked a rapidly rotating, 8-hour shift roster and then worked a 12-hour shift roster, and the other 2 plants worked continuous 12-hour shift rosters. After the change the shift workers at each plant reported increased satisfaction with roster design, a decrease in physical and psychological circadian malaise associated with shift work, improved day sleep quality, less tiredness, and improvements in the quality of home, social and work life. A between-plant comparison of the rapidly rotating 8-hour and 12-hour shift rosters showed greater improvements had been obtained with the 12-hour shift roster, and no significant differences in tiredness or sleep quality between the redesigned 8- and 12-hour shift rosters. However, a within-plant matched-pairs comparison at the 1st plant of the rapidly rotating 8-hour shift roster and the 12-hour shift roster showed no significant differences. The results show that the prior level of support for change may best explain the impact of roster redesign on individual well-being. They lend further support to shift worker participation in roster design.

Extracellular synthesis of silver nanoparticles using the leaf extract of Coleus amboinicus Lour

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

Narayanan, Kannan Badri; Sakthivel, Natarajan, E-mail: puns2005@gmail.com

2011-10-15

Highlights: {yields} Synthesis of AgNPs using the leaf extract of Coleus amboinicus L. was described. {yields} UV-vis absorption spectra showed the formation of isotrophic AgNPs at 437 nm in 6 h. {yields} XRD analysis showed intense peaks corresponding to fcc structure of AgNPs. {yields} HR-TEM analysis revealed the formation of stable anisotrophic and isotrophic AgNPs. -- Abstract: In the present investigation, Coleus amboinicus Lour. leaf extract-mediated green chemistry approach for the synthesis of silver nanoparticles was described. The nanoparticles were characterized by ultraviolet-visible (UV-Vis) spectroscopy, X-ray diffraction (XRD), energy dispersive X-ray analysis (EDAX), Fourier transform infrared spectroscopy (FTIR) and transmissionmore » electron microscopy (TEM). The influence of leaf extract on the control of size and shape of silver nanoparticles is reported. Upon an increase in the concentration of leaf extract, there was a shift in the shape of nanoparticles from anisotrophic nanostructures like triangle, decahedral and hexagonal to isotrophic spherical nanoparticles. Crystalline nature of fcc structured nanoparticles was confirmed by XRD spectrum with peaks corresponding to (1 1 1), (2 0 0), (2 2 0) and (3 1 1) planes and bright circular spots in the selected-area electron diffraction (SAED). Such environment friendly and sustainable methods are non-toxic, cheap and alternative to hazardous chemical procedures.« less

Trace elemental analysis of Indian natural moonstone gems by PIXE and XRD techniques.

PubMed

Venkateswara Rao, R; Venkateswarulu, P; Kasipathi, C; Sivajyothi, S

2013-12-01

A selected number of Indian Eastern Ghats natural moonstone gems were studied with a powerful nuclear analytical and non-destructive Proton Induced X-ray Emission (PIXE) technique. Thirteen elements, including V, Co, Ni, Zn, Ga, Ba and Pb, were identified in these moonstones and may be useful in interpreting the various geochemical conditions and the probable cause of their inceptions in the moonstone gemstone matrix. Furthermore, preliminary XRD studies of different moonstone patterns were performed. The PIXE technique is a powerful method for quickly determining the elemental concentration of a substance. A 3MeV proton beam was employed to excite the samples. The chemical constituents of moonstones from parts of the Eastern Ghats geological formations of Andhra Pradesh, India were determined, and gemological studies were performed on those gems. The crystal structure and the lattice parameters of the moonstones were estimated using X-Ray Diffraction studies, trace and minor elements were determined using the PIXE technique, and major compositional elements were confirmed by XRD. In the present work, the usefulness and versatility of the PIXE technique for research in geo-scientific methodology is established. © 2013 Elsevier Ltd. All rights reserved.

Interplay of superconductivity and bosonic coupling in the peak-dip-hump structure of Bi2Sr2CaCu2O8 +δ

NASA Astrophysics Data System (ADS)

Miller, Tristan L.; Zhang, Wentao; Ma, Jonathan; Eisaki, Hiroshi; Moore, Joel E.; Lanzara, Alessandra

2018-04-01

Because of the important role of electron-boson interactions in conventional superconductivity, it has long been asked whether any similar mechanism is at play in high-temperature cuprate superconductors. Evidence for strong electron-boson coupling is observed in cuprates with angle-resolved photoemission spectroscopy (ARPES), in the form of a dispersion kink and peak-dip-hump structure. What is missing is evidence of a causal relation to superconductivity. Here we revisit the problem using the technique of time-resolved ARPES on Bi2Sr2CaCu2O8 +δ . We focus on the peak-dip-hump structure, and show that laser pulses shift spectral weight into the dip as superconductivity is destroyed on picosecond time scales. We compare our results to simulations of Eliashberg theory in a superconductor with an Einstein boson, and find that the magnitude of the shift in spectral weight depends on the degree to which the bosonic mode contributes to superconductivity. Further study could address one of the longstanding mysteries of high-temperature superconductivity.

Non-occupational physical activity levels of shift workers compared with non-shift workers

PubMed Central

Loef, Bette; Hulsegge, Gerben; Wendel-Vos, G C Wanda; Verschuren, W M Monique; Bakker, Marije F; van der Beek, Allard J; Proper, Karin I

2017-01-01

Objectives Lack of physical activity (PA) has been hypothesised as an underlying mechanism in the adverse health effects of shift work. Therefore, our aim was to compare non-occupational PA levels between shift workers and non-shift workers. Furthermore, exposure–response relationships for frequency of night shifts and years of shift work regarding non-occupational PA levels were studied. Methods Data of 5980 non-shift workers and 532 shift workers from the European Prospective Investigation into Cancer and Nutrition-Netherlands (EPIC-NL) were used in these cross-sectional analyses. Time spent (hours/week) in different PA types (walking/cycling/exercise/chores) and intensities (moderate/vigorous) were calculated based on self-reported PA. Furthermore, sports were operationalised as: playing sports (no/yes), individual versus non-individual sports, and non-vigorous-intensity versus vigorous-intensity sports. PA levels were compared between shift workers and non-shift workers using Generalized Estimating Equations and logistic regression. Results Shift workers reported spending more time walking than non-shift workers (B=2.3 (95% CI 1.2 to 3.4)), but shift work was not associated with other PA types and any of the sports activities. Shift workers who worked 1–4 night shifts/month (B=2.4 (95% CI 0.6 to 4.3)) and ≥5 night shifts/month (B=3.7 (95% CI 1.8 to 5.6)) spent more time walking than non-shift workers. No exposure–response relationships were found between years of shift work and PA levels. Conclusions Shift workers spent more time walking than non-shift workers, but we observed no differences in other non-occupational PA levels. To better understand if and how PA plays a role in the negative health consequences of shift work, our findings need to be confirmed in future studies. PMID:27872151

Automated asteroseismic peak detections

NASA Astrophysics Data System (ADS)

García Saravia Ortiz de Montellano, Andrés; Hekker, S.; Themeßl, N.

2018-05-01

Space observatories such as Kepler have provided data that can potentially revolutionize our understanding of stars. Through detailed asteroseismic analyses we are capable of determining fundamental stellar parameters and reveal the stellar internal structure with unprecedented accuracy. However, such detailed analyses, known as peak bagging, have so far been obtained for only a small percentage of the observed stars while most of the scientific potential of the available data remains unexplored. One of the major challenges in peak bagging is identifying how many solar-like oscillation modes are visible in a power density spectrum. Identification of oscillation modes is usually done by visual inspection that is time-consuming and has a degree of subjectivity. Here, we present a peak-detection algorithm especially suited for the detection of solar-like oscillations. It reliably characterizes the solar-like oscillations in a power density spectrum and estimates their parameters without human intervention. Furthermore, we provide a metric to characterize the false positive and false negative rates to provide further information about the reliability of a detected oscillation mode or the significance of a lack of detected oscillation modes. The algorithm presented here opens the possibility for detailed and automated peak bagging of the thousands of solar-like oscillators observed by Kepler.

WE-EF-207-06: Dedicated Cone-Beam Breast CT with Laterally-Shifted Detector: Monte Carlo Evaluation of X-Ray Scatter Distribution and Scatter-To-Primary Ratio

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

Shi, L; Vedantham, S; Karellas, A

2015-06-15

Purpose: To determine the spatial distribution of x-ray scatter and scatter-to-primary ratio (SPR) in projections during cone-beam breast CT (CBBCT) with laterally-shifted detector that results in coronal (fan-angle) truncation. Methods: We hypothesized that CBBCT with coronal truncation would lower SPR due to reduction in irradiated breast volume, and that the location of maximum x-ray scatter fluence (scatter-peak) in the detector plane can be determined from the ratio of irradiated-to-total breast volume, breast dimensions and system geometry. Monte Carlo simulations (GEANT4) reflecting a prototype CBBCT system were used to record the position-dependent primary and scatter x-ray photon fluence incident on themore » detector without coronal truncation (full fan-angle, 2f=24-degrees) and with coronal truncation (fan-angle, f+ f=12+2.7-degrees). Semi-ellipsoidal breasts (10/14/18-cm diameter, chest-wall to nipple length: 0.75xdiameter, 2%/14%/100% fibroglandular content) aligned with the axis-of-rotation (AOR) were modeled. Mono-energy photons were simulated and weighted for 2 spectra (49kVp, 1.4-mm Al HVL; 60kVp, 3.76-mm Al HVL). In addition to SPR, the scatter maps were analyzed to identify the location of the scatter-peak. Results: For CBBCT without fan-angle truncation, the scatter-peaks were aligned with the projection of the AOR onto the detector for all breasts. With truncated fan-beam, the scatter-peaks were laterally-shifted from the projection of the AOR along the fan-angle direction by 14/38/70-pixels for 10/14/18-cm diameter breasts. The corresponding theoretical shifts were 14.8/39.7/68-pixels (p=0.47, 2-tailed paired-ratio t-test). Along the cone-angle, the shift in scatter-peaks between truncated and full-fan angle CBBCT were 2/2/4 -pixels for 10/14/18-cm diameter breasts. CBBCT with fan-angle truncation reduced SPR by 14/22/28% for 10/14/18-cm diameter breasts. 60kVp reduced SPR by 21–25% compared to 49kVp. Peak SPR for CBBCT with fan

27 CFR 9.140 - Atlas Peak.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Atlas Peak. 9.140 Section... THE TREASURY LIQUORS AMERICAN VITICULTURAL AREAS Approved American Viticultural Areas § 9.140 Atlas Peak. (a) Name. The name of the viticultural area described in this section is “Atlas Peak.” (b...

Fab MOR03268 triggers absorption shift of a diagnostic dye via packaging in a solvent-shielded Fab dimer interface.

PubMed

Hillig, Roman C; Urlinger, Stefanie; Fanghänel, Jörg; Brocks, Bodo; Haenel, Cornelia; Stark, Yvonne; Sülzle, Detlev; Svergun, Dmitri I; Baesler, Siegfried; Malawski, Guido; Moosmayer, Dieter; Menrad, Andreas; Schirner, Michael; Licha, Kai

2008-03-14

Molecular interactions between near-IR fluorescent probes and specific antibodies may be exploited to generate novel smart probes for diagnostic imaging. Using a new phage display technology, we developed such antibody Fab fragments with subnanomolar binding affinity for tetrasulfocyanine, a near-IR in vivo imaging agent. Unexpectedly, some Fabs induced redshifts of the dye absorption peak of up to 44 nm. This is the largest shift reported for a biological system so far. Crystal structure determination and absorption spectroscopy in the crystal in combination with microcalorimetry and small-angle X-ray scattering in solution revealed that the redshift is triggered by formation of a Fab dimer, with tetrasulfocyanine being buried in a fully closed protein cavity within the dimer interface. The derived principle of shifting the absorption peak of a symmetric dye via packaging within a Fab dimer interface may be transferred to other diagnostic fluorophores, opening the way towards smart imaging probes that change their wavelength upon interaction with an antibody.

Working the night shift causes increased vascular stress and delayed recovery in young women.

PubMed

Lo, Shih-Hsiang; Lin, Lian-Yu; Hwang, Jing-Shiang; Chang, Yu-Yin; Liau, Chiau-Suong; Wang, Jung-Der

2010-08-01

Shiftwork has been associated with elevated blood pressure (BP) and decreased heart-rate variability (HRV), factors that may increase the long-term risk of cardiovascular-related mortality and morbidity. This study explored the effect of shiftwork on dynamic changes in autonomic control of HRV (cardiac stress), systolic BP and diastolic BP, i.e., SBP and DBP (vascular stress), and recovery in the same subjects working different shifts. By studying the same subjects, the authors could reduce the effect of possible contribution of between-subject variation from genetic predisposition and environmental factors. The authors recruited 16 young female nurses working rotating shifts--day (08:00-16:00 h), evening (16:00-00:00 h), and night (00:00-08:00 h)--and 6 others working the regular day shift. Each nurse received simultaneous and repeated 48-h ambulatory electrocardiography and BP monitoring during their work day and the following off-duty day. Using a linear mixed-effect model to adjust for day shift, the results of the repeated-measurements and self-comparisons found significant shift differences in vascular stress. While working the night shift, the nurses showed significant increases in vascular stress, with increased SBP of 9.7 mm Hg. The changes of SBP and DBP seemed to peak during waking time at the same time on the day off as they did on the working day. Whereas HRV profiles usually returned to baseline level after each shift, the SBP and DBP of night-shift workers did not completely return to baseline levels the following off-duty day (p < .001). The authors concluded that although the nurses may recover from cardiac stress the first day off following a night shift, they do not completely recover from increases in vascular stress on that day.

Reduced Tolerance to Night Shift in Chronic Shift Workers: Insight From Fractal Regulation.

PubMed

Li, Peng; Morris, Christopher J; Patxot, Melissa; Yugay, Tatiana; Mistretta, Joseph; Purvis, Taylor E; Scheer, Frank A J L; Hu, Kun

2017-07-01

Healthy physiology is characterized by fractal regulation (FR) that generates similar structures in the fluctuations of physiological outputs at different time scales. Perturbed FR is associated with aging and age-related pathological conditions. Shift work, involving repeated and chronic exposure to misaligned environmental and behavioral cycles, disrupts circadian coordination. We tested whether night shifts perturb FR in motor activity and whether night shifts affect FR in chronic shift workers and non-shift workers differently. We studied 13 chronic shift workers and 14 non-shift workers as controls using both field and in-laboratory experiments. In the in-laboratory study, simulated night shifts were used to induce a misalignment between the endogenous circadian pacemaker and the sleep-wake cycles (ie, circadian misalignment) while environmental conditions and food intake were controlled. In the field study, we found that FR was robust in controls but broke down in shift workers during night shifts, leading to more random activity fluctuations as observed in patients with dementia. The night shift effect was present even 2 days after ending night shifts. The in-laboratory study confirmed that night shifts perturbed FR in chronic shift workers and showed that FR in controls was more resilience to the circadian misalignment. Moreover, FR during real and simulated night shifts was more perturbed in those who started shift work at older ages. Chronic shift work causes night shift intolerance, which is probably linked to the degraded plasticity of the circadian control system. © Sleep Research Society 2017. Published by Oxford University Press on behalf of the Sleep Research Society. All rights reserved. For permissions, please e-mail journals.permissions@oup.com.

The Poleward Shift of Storm Tracks Under Climate Change: Tracking Cyclones in CMIP5

NASA Astrophysics Data System (ADS)

Kaspi, Y.; Tamarin, T.

2017-12-01

Extratropical cyclones dominate the distribution of precipitation and wind in the midlatitudes, and therefore their frequency, intensity, and paths have a significant effect on weather and climate. Comprehensive climate models forced by enhanced greenhouse gas emissions suggest that under a climate change scenario, the latitudinal band of storm tracks would shift poleward. While the poleward shift is a robust response across most models, there is currently no consensus on what is the dominant dynamical mechanism. Here we use a Lagrangian approach to study the poleward shift, by employing a storm-tracking algorithm on an ensemble of CMIP5 models forced by increased CO2 emissions. We demonstrate that in addition to a poleward shift in the latitude of storm genesis, associated with the expansion of the Hadley cell, the averaged cyclonic storm also propagates more poleward until it reaches its maximum intensity. A mechanism for enhanced poleward motion of cyclones in a warmer climate is proposed, supported by idealized global warming experiments, and relates the shift to changes in upper level jet and atmospheric water vapour content. Our results imply that under the RCP8.5 climate change scenario, the averaged latitude of peak cyclone intensity shifts poleward by about 1.2○ (1.0○) in the Atlantic (Pacific) storm track in the Northern Hemisphere (NH), and by about 1.6○ in the Southern Hemisphere (SH) storm track. These changes in cyclone tracks can have a significant impact on midlatitude climate.

PEAK LIMITING AMPLIFIER

DOEpatents

Goldsworthy, W.W.; Robinson, J.B.

1959-03-31

A peak voltage amplitude limiting system adapted for use with a cascade type amplifier is described. In its detailed aspects, the invention includes an amplifier having at least a first triode tube and a second triode tube, the cathode of the second tube being connected to the anode of the first tube. A peak limiter triode tube has its control grid coupled to thc anode of the second tube and its anode connected to the cathode of the second tube. The operation of the limiter is controlled by a bias voltage source connected to the control grid of the limiter tube and the output of the system is taken from the anode of the second tube.

FunShift: a database of function shift analysis on protein subfamilies

PubMed Central

Abhiman, Saraswathi; Sonnhammer, Erik L. L.

2005-01-01

Members of a protein family normally have a general biochemical function in common, but frequently one or more subgroups have evolved a slightly different function, such as different substrate specificity. It is important to detect such function shifts for a more accurate functional annotation. The FunShift database described here is a compilation of function shift analysis performed between subfamilies in protein families. It consists of two main components: (i) subfamilies derived from protein domain families and (ii) pairwise subfamily comparisons analyzed for function shift. The present release, FunShift 12, was derived from Pfam 12 and consists of 151 934 subfamilies derived from 7300 families. We carried out function shift analysis by two complementary methods on families with up to 500 members. From a total of 179 210 subfamily pairs, 62 384 were predicted to be functionally shifted in 2881 families. Each subfamily pair is provided with a markup of probable functional specificity-determining sites. Tools for searching and exploring the data are provided to make this database a valuable resource for protein function annotation. Knowledge of these functionally important sites will be useful for experimental biologists performing functional mutation studies. FunShift is available at http://FunShift.cgb.ki.se. PMID:15608176

Non-occupational physical activity levels of shift workers compared with non-shift workers.

PubMed

Loef, Bette; Hulsegge, Gerben; Wendel-Vos, G C Wanda; Verschuren, W M Monique; Vermeulen, Roel C H; Bakker, Marije F; van der Beek, Allard J; Proper, Karin I

2017-05-01

Lack of physical activity (PA) has been hypothesised as an underlying mechanism in the adverse health effects of shift work. Therefore, our aim was to compare non-occupational PA levels between shift workers and non-shift workers. Furthermore, exposure-response relationships for frequency of night shifts and years of shift work regarding non-occupational PA levels were studied. Data of 5980 non-shift workers and 532 shift workers from the European Prospective Investigation into Cancer and Nutrition-Netherlands (EPIC-NL) were used in these cross-sectional analyses. Time spent (hours/week) in different PA types (walking/cycling/exercise/chores) and intensities (moderate/vigorous) were calculated based on self-reported PA. Furthermore, sports were operationalised as: playing sports (no/yes), individual versus non-individual sports, and non-vigorous-intensity versus vigorous-intensity sports. PA levels were compared between shift workers and non-shift workers using Generalized Estimating Equations and logistic regression. Shift workers reported spending more time walking than non-shift workers (B=2.3 (95% CI 1.2 to 3.4)), but shift work was not associated with other PA types and any of the sports activities. Shift workers who worked 1-4 night shifts/month (B=2.4 (95% CI 0.6 to 4.3)) and ≥5 night shifts/month (B=3.7 (95% CI 1.8 to 5.6)) spent more time walking than non-shift workers. No exposure-response relationships were found between years of shift work and PA levels. Shift workers spent more time walking than non-shift workers, but we observed no differences in other non-occupational PA levels. To better understand if and how PA plays a role in the negative health consequences of shift work, our findings need to be confirmed in future studies. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/.

XRD and EBSD analysis of anisotropic microstructure development in cold rolled F138 stainless steel

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

De Vincentis, N.S., E-mail: devincentis@ifir-conic

The microstructural characteristics of deformation-processed materials highly influence their mechanical properties. For a complete characterization of a microstructure both local and global information must be gathered, which requires the combination of different analysis techniques. X-ray and Electron Backscatter Diffraction were used in the present paper to characterize the deformation induced in a cold rolled F138 austenitic stainless steel sample. The results obtained using laboratory and synchrotron X-ray sources were compared and combined with EBSD quantitative results, allowing the global and local characterization and orientation dependence of the deformation microstructure. A particular behavior was observed in the XRD data corresponding tomore » the planes with < 220 >∥ ND, likely due to a smaller amount of defects accumulated in the crystals with that particular orientation. EBSD was used to separate the scans data into partitions and to calculate misorientation variables and parameters, showing that this behavior can be attributed to a combination of larger grain sizes, lower local boundary misorientations and dislocation densities for crystals having < 220 >∥ ND. Several conclusions, of general validity for the evaluation of microstructure anisotropy, can be extracted from the results. - Highlights: •Combined XRD and EBSD for studying microstructure gave a superb insight on anisotropic accumulation of defects. •W-H and CMWP methods were applied for checking consistency of results. •XRD showed that a smaller accumulation of defects occurred in crystals with < 220 >∥ ND. •High brilliance X-ray beam allowed to study the anisotropy of defect accumulation.« less

The Boson peak in supercooled water.

PubMed

Kumar, Pradeep; Wikfeldt, K Thor; Schlesinger, Daniel; Pettersson, Lars G M; Stanley, H Eugene

2013-01-01

We perform extensive molecular dynamics simulations of the TIP4P/2005 model of water to investigate the origin of the Boson peak reported in experiments on supercooled water in nanoconfined pores, and in hydration water around proteins. We find that the onset of the Boson peak in supercooled bulk water coincides with the crossover to a predominantly low-density-like liquid below the Widom line TW. The frequency and onset temperature of the Boson peak in our simulations of bulk water agree well with the results from experiments on nanoconfined water. Our results suggest that the Boson peak in water is not an exclusive effect of confinement. We further find that, similar to other glass-forming liquids, the vibrational modes corresponding to the Boson peak are spatially extended and are related to transverse phonons found in the parent crystal, here ice Ih.

Reduced dimensionality tailored HN(C)N experiments for facile backbone resonance assignment of proteins through unambiguous identification of sequential HSQC peaks

NASA Astrophysics Data System (ADS)

Kumar, Dinesh

2013-12-01

Two novel reduced dimensionality (RD) tailored HN(C)N [S.C. Panchal, N.S. Bhavesh, R.V. Hosur, Improved 3D triple resonance experiments, HNN and HN(C)N, for HN and 15N sequential correlations in (13C, 15N) labeled proteins: application to unfolded proteins, J. Biomol. NMR 20 (2001) 135-147] experiments are proposed to facilitate the backbone resonance assignment of proteins both in terms of its accuracy and speed. These experiments - referred here as (4,3)D-hNCOcaNH and (4,3)D-hNcoCANH - exploit the linear combination of backbone 15N and 13C‧/13Cα chemical shifts simultaneously to achieve higher peak dispersion and randomness along their respective F1 dimensions. Simply, this has been achieved by modulating the backbone 15N(i) chemical shifts with that of 13C‧ (i - 1)/13Cα (i - 1) spins following the established reduced dimensionality NMR approach [T. Szyperski, D.C. Yeh, D.K. Sukumaran, H.N. Moseley, G.T. Montelione, Reduced-dimensionality NMR spectroscopy for high-throughput protein resonance assignment, Proc. Natl. Acad. Sci. USA 99 (2002) 8009-8014]. Though the modification is simple it has resulted an ingenious improvement of HN(C)N both in terms of peak dispersion and easiness of establishing the sequential connectivities. The increased dispersion along F1 dimension solves two purposes here: (i) resolves the ambiguities arising because of degenerate 15N chemical shifts and (ii) reduces the signal overlap in F2(15N)-F3(1H) planes (an important requisite in HN(C)N based assignment protocol for facile and unambiguous identification of sequentially connected HSQC peaks). The performance of both these experiments and the assignment protocol has been demonstrated using bovine apo Calbindin-d9k (75 aa) and urea denatured UNC60B (a 152 amino acid ADF/cofilin family protein of Caenorhabditis elegans), as representatives of folded and unfolded protein systems, respectively.

Composition and microstructure of MTA and Aureoseal Plus: XRF, EDS, XRD and FESEM evaluation.

PubMed

Cianconi, L; Palopoli, P; Campanella, V; Mancini, M

2016-12-01

The aim of this study was to determine the chemical composition and the phases' microstructure of Aureoseal Plus (OGNA, Italy) and ProRoot MTA (Dentsply Tulsa Dental, USA) and to compare their characteristics. Study Design: Comparing Aureoseal Plus and ProRoot MTA microstructure by means of several analyses type. The chemical analysis of the two cements was assessed following the UNI EN ISO 196-2 norm. X-Ray fluorescence (XRF) was used to determine the element composition. The crystalline structure was analysed quantitatively using x-ray diffraction (XRD). Powders morphology was evaluated using a scanning electron microscope (SEM) with backscattering detectors, and a field emission scanning electron microscope (FESEM). Elemental analysis was performed by energy dispersive x-ray analysis (EDS). The semi-quantitative XRF analysis showed the presence of heavy metal oxides in both cements. The XRD spectra of the two cements reported the presence of dicalcium silicate, tricalcium silicate, tricalcium aluminate, tetracalcium aluminoferrite, bismuth oxide and gypsum. SEM analysis showed that ProRoot MTA powder is less coarse and more homogeneous than Aureoseal. Both powders are formed by particles of different shapes: round, prismatic and oblong. The EDS analysis showed that some ProRoot MTA particles, differently from Aureoseal, contain Ca, Si, Al and Fe. Oblong particles in ProRoot and Aureoseal are rich of bismuth. The strong interest in developing new Portland cement-based endodontic sealers will create materials with increased handling characteristics and physicochemical properties. A thorough investigation on two cement powders was carried out by using XRF, XRD, SEM and EDS analysis. To date there was a lack of studies on Aureoseal Plus. This cement is similar in composition to ProRoot MTA. Despite that it has distinctive elements that could improve its characteristics, resulting in a good alternative to MTA.

In-situ XRD and EDS method study on the oxidation behaviour of Ni-Cu sulphide ore.

PubMed

Li, Guangshi; Cheng, Hongwei; Xiong, Xiaolu; Lu, Xionggang; Xu, Cong; Lu, Changyuan; Zou, Xingli; Xu, Qian

2017-06-12

The oxidation mechanism of sulfides is the key issue during the sulphide-metallurgy process. In this study, the phase transformation and element migration were clearly demonstrated by in-situ laboratory-based X-ray diffraction (XRD) and energy-dispersive X-ray spectroscopy (EDS), respectively. The reaction sequence and a four-step oxidation mechanism were proposed and identified. The elemental distribution demonstrated that at a low temperature, the Fe atoms diffused outward and the Ni/Cu atoms migrated toward the inner core, whereas the opposite diffusion processes were observed at a higher temperature. Importantly, the unique visual presentation of the oxidation behaviour provided by the combination of in-situ XRD and EDS might be useful for optimising the process parameters to improve the Ni/Cu extraction efficiency during Ni-Cu sulphide metallurgy.

Effect of sample moisture content on XRD-estimated cellulose crystallinity index and crystallite size

Treesearch

Umesh P. Agarwal; Sally A. Ralph; Carlos Baez; Richard S. Reiner; Steve P. Verrill

2017-01-01

Although X-ray diffraction (XRD) has been the most widely used technique to investigate crystallinity index (CrI) and crystallite size (L200) of cellulose materials, there are not many studies that have taken into account the role of sample moisture on these measurements. The present investigation focuses on a variety of celluloses and cellulose...

High temperature XRD of Cu2GeSe3

NASA Astrophysics Data System (ADS)

Premkumar D., S.; Chetty, Raju; Malar, P.; Mallik, Ramesh Chandra

2015-06-01

The Cu2GeSe3 is prepared by solid state synthesis method. The high temperature XRD has been done at different temperature from 30 °C to 450 °C. The reitveld refinement confirms Cu2GeSe3 phase and orthorhombic crystal structure. The lattice constants are increasing with increase in the temperature and their rate of increase with respect to temperature are used for finding the thermal expansion coefficient. The calculation of the linear and volume coefficient of thermal expansion is done from 30 °C to 400 °C. Decrease in the values of linear expansion coefficients with temperature are observed along a and c axis. Since thermal expansion coefficient is the consequence of the distortion of atoms in the lattice; this can be further used to find the minimum lattice thermal conductivity at given temperature.

Effects of shifting growth stage and regulating temperature on seasonal variation of CH4 emission from rice

NASA Astrophysics Data System (ADS)

Watanabe, Akira; Yamada, Hiromi; Kimura, Makoto

2001-09-01

Seasonal variations in CH4 emission rates from rice paddies have been reported to have one or more maxima during the middle and late periods of rice growth. The factor affecting an appearance of CH4 emission maxima was examined in three types of pot experiments. In the experiment 1, four rice cultivars with difference in length of the period from transplanting to heading were transplanted on the same days. For the experiment 2, a cultivar was transplanted 4 times with interval of two weeks. In these experiments, the heading differed about a month between the earliest and latest treatments, respectively. However, shifting growth stage of rice plants did not shift the CH4 emission maxima, and the CH4 emission maxima often matched the maxima of daily mean air temperature. The effect of variation in temperature on CH4 emission rate was further investigated in the experiment 3 by placing the rice-planted pots under regulated temperature. Besides the first emission peak of CH4 attributable to rice straw (RS) carbon, three emission peaks corresponding to the peaks of air temperature were detected for the RS-applied pots placed outdoors. These three peaks were not observed or much less conspicuous for the RS-applied pots in a phytotron at 30°C. Temporal decreases in CH4 emission were detected both for the pots placed in the phytotron and outdoors just after the topdressing of (NH4)2SO4, which was considered to be a major cause of irregular disagreement between the variations in CH4 emission rates and in air temperature during the middle period of rice growth.

Blue and red shifted temperature dependence of implicit phonon shifts in graphene

NASA Astrophysics Data System (ADS)

Mann, Sarita; Jindal, V. K.

2017-07-01

We have calculated the implicit shift for various modes of frequency in a pure graphene sheet. Thermal expansion and Grüneisen parameter which are required for implicit shift calculation have already been studied and reported. For this calculation, phonon frequencies are obtained using force constants derived from dynamical matrix calculated using VASP code where the density functional perturbation theory (DFPT) is used in interface with phonopy software. The implicit phonon shift shows an unusual behavior as compared to the bulk materials. The frequency shift is large negative (red shift) for ZA and ZO modes and the value of negative shift increases with increase in temperature. On the other hand, blue shift arises for all other longitudinal and transverse modes with a similar trend of increase with increase in temperature. The q dependence of phonon shifts has also been studied. Such simultaneous red and blue shifts in transverse or out plane modes and surface modes, respectively leads to speculation of surface softening in out of plane direction in preference to surface melting.

Method and apparatus for current-output peak detection

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

De Geronimo, Gianluigi

2017-01-24

A method and apparatus for a current-output peak detector. A current-output peak detector circuit is disclosed and works in two phases. The peak detector circuit includes switches to switch the peak detector circuit from the first phase to the second phase upon detection of the peak voltage of an input voltage signal. The peak detector generates a current output with a high degree of accuracy in the second phase.

Understanding changes in cellulose crystalline structure of lignocellulosic biomass during ionic liquid pretreatment by XRD.

PubMed

Zhang, Jiafu; Wang, Yixun; Zhang, Liye; Zhang, Ruihong; Liu, Guangqing; Cheng, Gang

2014-01-01

X-ray diffraction (XRD) was used to understand the interactions of cellulose in lignocellulosic biomass with ionic liquids (ILs). The experiment was designed in such a way that the process of swelling and solubilization of crystalline cellulose in plant cell walls was followed by XRD. Three different feedstocks, switchgrass, corn stover and rice husk, were pretreated using 1-butyl-3-methylimidazolium acetate ([C4mim][OAc]) at temperatures of 50-130°C for 6h. At a 5 wt.% biomass loading, increasing pretreatment temperature led to a drop in biomass crystallinity index (CrI), which was due to swelling of crystalline cellulose. After most of the crystalline cellulose was swollen with IL molecules, a low-order structure was found in the pretreated samples. Upon further increasing temperature, cellulose II structure started to form in the pretreated biomass samples as a result of solubilization of cellulose in [C4mim][OAc] and subsequent regeneration. Copyright © 2013 Elsevier Ltd. All rights reserved.

Generating Shifting Workloads to Benchmark Adaptability in Relational Database Systems

NASA Astrophysics Data System (ADS)

Rabl, Tilmann; Lang, Andreas; Hackl, Thomas; Sick, Bernhard; Kosch, Harald

A large body of research concerns the adaptability of database systems. Many commercial systems already contain autonomic processes that adapt configurations as well as data structures and data organization. Yet there is virtually no possibility for a just measurement of the quality of such optimizations. While standard benchmarks have been developed that simulate real-world database applications very precisely, none of them considers variations in workloads produced by human factors. Today’s benchmarks test the performance of database systems by measuring peak performance on homogeneous request streams. Nevertheless, in systems with user interaction access patterns are constantly shifting. We present a benchmark that simulates a web information system with interaction of large user groups. It is based on the analysis of a real online eLearning management system with 15,000 users. The benchmark considers the temporal dependency of user interaction. Main focus is to measure the adaptability of a database management system according to shifting workloads. We will give details on our design approach that uses sophisticated pattern analysis and data mining techniques.

Contributors to shift work tolerance in South Korean nurses working rotating shift.

PubMed

Jung, Hye-Sun; Lee, Bokim

2015-05-01

Shift workers have rapidly increased in South Korea; however, there is no published research exploring shift work tolerance among South Korean workers. This study aimed to investigate factors related to shift work tolerance in South Korean nurses. The sample comprised of 660 nurses who worked shifts in a large hospital in South Korea. A structured questionnaire included following comprehensive variables: demographic (age and number of children), individual (morningness and self-esteem), psychosocial (social support and job stress), lifestyle (alcohol consumption, physical activity, and BMI), and working condition factors (number of night shifts and working hours). Shift work tolerance was measured in terms of insomnia, fatigue, and depression. The results of hierarchical regressions indicate that all variables, except for three, number of children, BMI, and working hours, were related to at least one of the symptoms associated with shift work tolerance. Based on these results, we offer some practical implications to help improve shift work tolerance of workers. Copyright © 2014 Elsevier Inc. All rights reserved.

Effect of Cu-Dopant on the Structural, Magnetic and Electrical Properties of ZnO

NASA Astrophysics Data System (ADS)

Aryanto, D.; Kurniawan, C.; Subhan, A.; Sudiro, T.; Sebayang, P.; Ginting, M.; Siregar, S. M. K.; Nasruddin, M. N.

2017-05-01

Zn1- x Cu x O (x = 0, 2, 3, and 4 at.%) was synthesized by using solid-state reaction technique. The ZnO and CuO powders were mixed and then milled by using high-speed shaker mill. The influence of Cu dopants on the structure, magnetic, and electrical properties was investigated by using XRD, VSM, and I-V and C-V measurements. The XRD analysis showed that the Zn1- x Cu x O had hexagonal wurtzite polycrystalline. The diffraction intensity decreased and the peak position shifted directly to a higher 2θ angle with increasing the dopant concentration. Furthermore, the lattice parameters decreased when the ZnO was doped with x = 0.04, which indicated that the crystal structure changed. The increase of Cu dopants was believed to affect the magnetic and electrical properties of ZnO.

Electrical properties of NiAs-type MnTe films with preferred crystallographic plane of (110)

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

Yang, L.; Wang, Z. H., E-mail: zhwang@imr.ac.cn; Zhang, Z. D.

2016-01-28

NiAs-type manganese telluride (MnTe) films with preferred crystallographic plane of (110) were prepared on Si/SiO{sub 2} substrates by pulsed laser deposition. X-ray diffraction (XRD) of the films was studied at different temperatures. The XRD peak of MnTe (110) films shifts to higher angle with decreasing temperature, showing the decrease of the lattice parameter. Resistivity of the films was studied in the temperature range of 2–350 K. The bump between 150 and 250 K was observed in the films, which may be related to the special s-d and p-d overlaps induced by the compressed lattice. The magnon drag effect near its Néel temperaturemore » T{sub N} and enlarged magnetic-elastic coupling below 100 K were observed and analyzed in details.« less

Hydrogen sensor based on Sm-doped SnO{sub 2} nanostructures

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

Singh, Gurpreet; Hastir, Anita; Singh, Ravi Chand, E-mail: ravichand.singh@gmail.com

2016-05-23

In this paper the effect of samarium doping on the structural and hydrogen gas sensing properties of SnO{sub 2} nanoparticles has been reported. X-ray Diffraction (XRD) results revealed tetragonal rutile structure of both undoped and Sm-doped SnO{sub 2} nanoparticles. It has been observed that doping with samarium led to reduction in crystallite size of SnO{sub 2} nanoparticles which was confirmed from XRD analysis. Shifting and broadening of Raman peaks in case of doped nanoparticles has been explained by well-known phonon confinement model. The optimum operable temperature of both the sensors was found to 400 °C and the sensor response towardsmore » hydrogen gas has been improved after doping with samarium which was attributed to increase in sensing sites for the gas adsorption.« less

Sleep Loss and Fatigue in Shift Work and Shift Work Disorder

PubMed Central

Åkerstedt, Torbjörn; Wright, Kenneth P.

2010-01-01

Shift work is highly prevalent in industrialized societies (>20%) but, when it includes night work, it has pronounced negative effects on sleep, subjective and physiological sleepiness, performance, accident risk, as well as on health outcomes such as cardiovascular disease and certain forms of cancer. The reason is the conflict between the day oriented circadian physiology and the requirement for work and sleep at the “wrong” biological time of day. Other factors that negatively impact work shift sleepiness and accident risk include long duration shifts greater than 12 hours and individual vulnerability for phase intolerance that may lead to a diagnosis of shift work disorder; i.e., those shift workers with the greatest sleepiness and performance impairment during the biological night and insomnia during the biological day. Whereas some countermeasures may be used to ameliorate the negative impact of shift work on nighttime sleepiness and daytime insomnia (combined countermeasures may be the best available), there seems at present to be no way to eliminate most of the negative effects of shift work on human physiology and cognition. PMID:20640236

Expert system application for prioritizing preventive actions for shift work: shift expert.

PubMed

Esen, Hatice; Hatipoğlu, Tuğçen; Cihan, Ahmet; Fiğlali, Nilgün

2017-09-19

Shift patterns, work hours, work arrangements and worker motivations have increasingly become key factors for job performance. The main objective of this article is to design an expert system that identifies the negative effects of shift work and prioritizes mitigation efforts according to their importance in preventing these negative effects. The proposed expert system will be referred to as the shift expert. A thorough literature review is conducted to determine the effects of shift work on workers. Our work indicates that shift work is linked to demographic variables, sleepiness and fatigue, health and well-being, and social and domestic conditions. These parameters constitute the sections of a questionnaire designed to focus on 26 important issues related to shift work. The shift expert is then constructed to provide prevention advice at the individual and organizational levels, and it prioritizes this advice using a fuzzy analytic hierarchy process model, which considers comparison matrices provided by users during the prioritization process. An empirical study of 61 workers working on three rotating shifts is performed. After administering the questionnaires, the collected data are analyzed statistically, and then the shift expert produces individual and organizational recommendations for these workers.

High-speed peak matching algorithm for retention time alignment of gas chromatographic data for chemometric analysis.

PubMed

Johnson, Kevin J; Wright, Bob W; Jarman, Kristin H; Synovec, Robert E

2003-05-09

A rapid retention time alignment algorithm was developed as a preprocessing utility to be used prior to chemometric analysis of large datasets of diesel fuel profiles obtained using gas chromatography (GC). Retention time variation from chromatogram-to-chromatogram has been a significant impediment against the use of chemometric techniques in the analysis of chromatographic data due to the inability of current chemometric techniques to correctly model information that shifts from variable to variable within a dataset. The alignment algorithm developed is shown to increase the efficacy of pattern recognition methods applied to diesel fuel chromatograms by retaining chemical selectivity while reducing chromatogram-to-chromatogram retention time variations and to do so on a time scale that makes analysis of large sets of chromatographic data practical. Two sets of diesel fuel gas chromatograms were studied using the novel alignment algorithm followed by principal component analysis (PCA). In the first study, retention times for corresponding chromatographic peaks in 60 chromatograms varied by as much as 300 ms between chromatograms before alignment. In the second study of 42 chromatograms, the retention time shifting exhibited was on the order of 10 s between corresponding chromatographic peaks, and required a coarse retention time correction prior to alignment with the algorithm. In both cases, an increase in retention time precision afforded by the algorithm was clearly visible in plots of overlaid chromatograms before and then after applying the retention time alignment algorithm. Using the alignment algorithm, the standard deviation for corresponding peak retention times following alignment was 17 ms throughout a given chromatogram, corresponding to a relative standard deviation of 0.003% at an average retention time of 8 min. This level of retention time precision is a 5-fold improvement over the retention time precision initially provided by a state

ITALIAN PEAK AND ITALIAN PEAK MIDDLE ROADLESS AREAS, IDAHO AND MONTANA.

USGS Publications Warehouse

Skipp, Betty; Lambeth, Robert H.

1984-01-01

The Italian Peak and Italian Peak Middle Roadless Areas, in southwestern Montana and east-central Idaho, contain areas of probable mineral-resource potential based on combined geologic, geophysical, and geochemical studies and prospect examination. Small areas along the western, southern, and northeastern boundaries of the roadless areas have probable mineral resource potential for zinc, lead, silver, and uranium. An area of probable resource potential just east of and including a part of the Birch Creek mining district, may contain stratabound and fault-controlled silver and base metals, even though geochemical anomalies are low, and extensive prospecting has not identified any significant mineralization. The roadless areas are a part of the overthrust belt, and oil and gas possibilities must be assessed.

DOUBLE-PEAKED NARROW-LINE ACTIVE GALACTIC NUCLEI. II. THE CASE OF EQUAL PEAKS

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

Smith, K. L.; Shields, G. A.; Salviander, S.

Active galactic nuclei (AGNs) with double-peaked narrow lines (DPAGNs) may be caused by kiloparsec-scale binary AGNs, bipolar outflows, or rotating gaseous disks. We examine the class of DPAGNs in which the two narrow-line components have closely similar intensity as being especially likely to involve disks or jets. Two spectroscopic indicators support this likelihood. For DPAGNs from Smith et al., the 'equal-peaked' objects (EPAGNs) have [Ne V]/[O III]ratios lower than for a control sample of non-double-peaked AGNs. This is unexpected for a pair of normal AGNs in a galactic merger, but may be consistent with [O III] emission from a rotatingmore » ring with relatively little gas at small radii. Also, [O III]/H{beta} ratios of the redshifted and blueshifted systems in the EPAGN are more similar to each other than in a control sample, suggestive of a single ionizing source and inconsistent with the binary interpretation.« less

Relationships between Electroencephalographic Spectral Peaks Across Frequency Bands

PubMed Central

van Albada, S. J.; Robinson, P. A.

2013-01-01

The degree to which electroencephalographic spectral peaks are independent, and the relationships between their frequencies have been debated. A novel fitting method was used to determine peak parameters in the range 2–35 Hz from a large sample of eyes-closed spectra, and their interrelationships were investigated. Findings were compared with a mean-field model of thalamocortical activity, which predicts near-harmonic relationships between peaks. The subject set consisted of 1424 healthy subjects from the Brain Resource International Database. Peaks in the theta range occurred on average near half the alpha peak frequency, while peaks in the beta range tended to occur near twice and three times the alpha peak frequency on an individual-subject basis. Moreover, for the majority of subjects, alpha peak frequencies were significantly positively correlated with frequencies of peaks in the theta and low and high beta ranges. Such a harmonic progression agrees semiquantitatively with theoretical predictions from the mean-field model. These findings indicate a common or analogous source for different rhythms, and help to define appropriate individual frequency bands for peak identification. PMID:23483663

Proton chemical shift tensors determined by 3D ultrafast MAS double-quantum NMR spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Rongchun; Mroue, Kamal H.; Ramamoorthy, Ayyalusamy

2015-10-01

Proton NMR spectroscopy in the solid state has recently attracted much attention owing to the significant enhancement in spectral resolution afforded by the remarkable advances in ultrafast magic angle spinning (MAS) capabilities. In particular, proton chemical shift anisotropy (CSA) has become an important tool for obtaining specific insights into inter/intra-molecular hydrogen bonding. However, even at the highest currently feasible spinning frequencies (110-120 kHz), 1H MAS NMR spectra of rigid solids still suffer from poor resolution and severe peak overlap caused by the strong 1H-1H homonuclear dipolar couplings and narrow 1H chemical shift (CS) ranges, which render it difficult to determine the CSA of specific proton sites in the standard CSA/single-quantum (SQ) chemical shift correlation experiment. Herein, we propose a three-dimensional (3D) 1H double-quantum (DQ) chemical shift/CSA/SQ chemical shift correlation experiment to extract the CS tensors of proton sites whose signals are not well resolved along the single-quantum chemical shift dimension. As extracted from the 3D spectrum, the F1/F3 (DQ/SQ) projection provides valuable information about 1H-1H proximities, which might also reveal the hydrogen-bonding connectivities. In addition, the F2/F3 (CSA/SQ) correlation spectrum, which is similar to the regular 2D CSA/SQ correlation experiment, yields chemical shift anisotropic line shapes at different isotropic chemical shifts. More importantly, since the F2/F1 (CSA/DQ) spectrum correlates the CSA with the DQ signal induced by two neighboring proton sites, the CSA spectrum sliced at a specific DQ chemical shift position contains the CSA information of two neighboring spins indicated by the DQ chemical shift. If these two spins have different CS tensors, both tensors can be extracted by numerical fitting. We believe that this robust and elegant single-channel proton-based 3D experiment provides useful atomistic-level structural and dynamical information for

Hubbert's Peak -- A Physicist's View

NASA Astrophysics Data System (ADS)

McDonald, Richard

2011-04-01

Oil, as used in agriculture and transportation, is the lifeblood of modern society. It is finite in quantity and will someday be exhausted. In 1956, Hubbert proposed a theory of resource production and applied it successfully to predict peak U.S. oil production in 1970. Bartlett extended this work in publications and lectures on the finite nature of oil and its production peak and depletion. Both Hubbert and Bartlett place peak world oil production at a similar time, essentially now. Central to these analyses are estimates of total ``oil in place'' obtained from engineering studies of oil reservoirs as this quantity determines the area under the Hubbert's Peak. Knowing the production history and the total oil in place allows us to make estimates of reserves, and therefore future oil availability. We will then examine reserves data for various countries, in particular OPEC countries, and see if these data tell us anything about the future availability of oil. Finally, we will comment on synthetic oil and the possibility of carbon-neutral synthetic oil for a sustainable future.

Load shift potential of electric vehicles in Europe

NASA Astrophysics Data System (ADS)

Babrowski, Sonja; Heinrichs, Heidi; Jochem, Patrick; Fichtner, Wolf

2014-06-01

Many governments highly encourage electric mobility today, aiming at a high market penetration. This development would bring forth an impact on the energy system, which strongly depends on the driving and charging behavior of the users. While an uncontrolled immediate charging might strain the local grid and/or higher peak loads, there are benefits to be gained by a controlled charging. We examine six European mobility studies in order to display the effects of controlled and uncontrolled unidirectional charging. Taking into account country-specific driving patterns, we generate for each country a charging load curve corresponding to uncontrolled charging and consider the corresponding parking time at charging facilities in order to identify load shift potentials. The main results are that besides the charging power of the vehicles, the possibility to charge at the work place has a significant influence on the uncontrolled charging curve. Neither national nor regional differences are as significant. When charging is only possible at home, the vehicle availability at charging facilities during the day for all countries is at least 24%. With the additional possibility to charge at work, at least 45% are constantly available. Accordingly, we identified a big potential for load shifting through controlled charging.

The effect of bright light on sleepiness among rapid-rotating 12-hour shift workers.

PubMed

Sadeghniiat-Haghighi, Khosro; Yazdi, Zohreh; Jahanihashemi, Hassan; Aminian, Omid

2011-01-01

About 20% of workers in industrialized countries are shift workers and more than half of them work on night or rotating shifts. Most night workers complain of sleepiness due to lack of adjustment of the circadian rhythm. In simulated night-work experiments, scheduled exposure to bright light has been shown to reduce these complaints. Our study assessed the effects of bright light exposure on sleepiness during night work in an industrial setting. In a cross-over design, 94 workers at a ceramic factory were exposed to either bright (2500 lux) or normal light (300 lux) during breaks on night shifts. We initiated 20-minute breaks between 24.00 and 02.00 hours. Sleepiness ratings were determined using the Stanford Sleepiness Scale at 22.00, 24.00, 02.00 and 04.00 hours. Under normal light conditions, sleepiness peaked at 02:00 hours. A significant reduction (22% compared to normal light conditions) in sleepiness was observed after workers were exposed to bright light. Exposure to bright light may be effective in reducing sleepiness among night workers.

PEAK READING VOLTMETER

DOEpatents

Dyer, A.L.

1958-07-29

An improvement in peak reading voltmeters is described, which provides for storing an electrical charge representative of the magnitude of a transient voltage pulse and thereafter measuring the stored charge, drawing oniy negligible energy from the storage element. The incoming voltage is rectified and stored in a condenser. The voltage of the capacitor is applied across a piezoelectric crystal between two parallel plates. Amy change in the voltage of the capacitor is reflected in a change in the dielectric constant of the crystal and the capacitance between a second pair of plates affixed to the crystal is altered. The latter capacitor forms part of the frequency determlning circuit of an oscillator and means is provided for indicating the frequency deviation which is a measure of the peak voltage applied to the voltmeter.

Peak Experiences: Some Empirical Tests.

ERIC Educational Resources Information Center

Wuthnow, Robert

1978-01-01

This article presents findings regarding peak experiences from a systematic random sample of 1,000 persons in the San Francisco-Oakland area. Evidence is presented on the incidence of peak experiences, on the kinds of life styles which tend to be associated with these experiences, and on some of the social implications that these experiences have.…

Role of Mn2+ concentration in the linear and nonlinear optical properties of Ni1-xMnxSe nanoparticles

NASA Astrophysics Data System (ADS)

Anugop, B.; Prasanth, S.; Rithesh Raj, D.; Vineeshkumar, T. V.; Pranitha, S.; Mahadevan Pillai, V. P.; Sudarsanakumar, C.

2016-12-01

Ni1-xMnxSe nanoparticles (x = 0.1, 0.3, 0.5, 0.7, 0.9) were successfully synthesized by chemical co-precipitation method and their structural and optical properties were studied using X-ray diffraction, transmission electron microscopy, UV-Visible absorption and photo luminescence spectroscopy. XRD pattern reveals the hexagonal structure of the particles and the peak positions were shifted to higher 2θ values with increase in Mn2+ concentration. The average particle size determined from XRD varies from 6 to 11 nm. The UV-Visible absorption spectrum shows absorption edge around the blue region and is red-shifted with increasing Mn2+ concentration consequently the optical bandgap energy is decreasing. The PL emission spectrum shows a broad emission around 380 nm, and the intensity of the emission decreases with increase in Mn2+ concentration. The nonlinear optical properties of the samples were analysed using Z-scan technique and the samples show optical limiting behaviour and the 2 PA coefficient increases with increasing Mn2+ concentration. Overall, manganese concentration influences the linear and nonlinear optical properties of Ni1-xMnxSe nanoparticles.

Temperature dependent surface and spectral modifications of nano V2O5 films

NASA Astrophysics Data System (ADS)

Manthrammel, M. Aslam; Fatehmulla, A.; Al-Dhafiri, A. M.; Alshammari, A. S.; Khan, Aslam

2017-03-01

Nanocrystalline V2O5 films have been deposited on glass substrates at 300°C substrate temperature using thermal evaporation technique and were subjected to thermal annealing at different temperatures 350, 400, and 550°C. X-ray diffraction (XRD) spectra exhibit sharper and broader characteristic peaks respectively indicating the rearrangement of nanocrystallite phases with annealing temperatures. Other phases of vanadium oxides started emerging with the rise in annealing temperature and the sample converted completely to VO2 (B) phase at 550°C annealing. FESEM images showed an increase in crystallite size with 350 and 400°C annealing temperatures followed by a decrease in crystallite size for the sample annealed at 550°C. Transmission spectra showed an initial redshift of the fundamental band edge with 350 and 400°C while a blue shift for the sample annealed at 550°C, which was in agreement with XRD and SEM results. The films exhibited smart window properties as well as nanorod growth at specific annealing temperatures. Apart from showing the PL and defect related peaks, PL studies also supported the observations made in the transmission spectra.

Temporal responses of peak citrus flowering to climate change in Iran: 1960-2010

NASA Astrophysics Data System (ADS)

Fitchett, Jennifer; Grab, Stefan; Thompson, Dave; Roshan, GholamReza

2014-05-01

Recent studies investigating floral and faunal phenological responses to climate change have highlighted the extent to which these relationships are species and location specific. This study investigates temporal responses of citrus peak flowering to climate change in the cities of Kerman, Shiraz and Gorgan, Iran. Phenological data comprise peak flowering dates of five citrus types: orange (Citrus x sinensis), tangerine (Citrus x tangerine), sweet lemon (Citrus limetta), sour lemon (Citrus x limon) and sour orange (Citrus x aurantium). These were collected daily from government heritage gardens located within each of the three cities, and archived by a private Iranian company, for the period 1960-2010. For the same period, daily Tmax, Tmin, rainfall and sunshine hour data were acquired from the Iranian Meteorological Organization. Time trend analyses were undertaken for both the phenological and meteorological data, followed by linear regression to determine the nature and extent of any relationships between these variables. We find that the mean peak flowering dates, and their long-term trends over the 51-year period, are very similar amongst the five citrus types within each city, but demonstrate significant differences between cities. Flowering date advances of 0.12-0.17d/yr are recorded for Kerman, and more rapid advances of 0.56-0.65d/yr for Shiraz. Notable progressive delays in flowering dates occur in Gorgan (0.05-0.1d/yr). The peak flowering dates of citrus in the former two cities demonstrate strong relationships with mean annual Tmin, ranging from r = 0.46-0.61 (p = 0002; p < 0.0001) for Kerman to r = 0.53-0.67 (p = 0.0386; p < 0.0001) for Shiraz, and equating to peak flowering advances of 3.15-3.39d/°C and 4.34-5.47d/°C respectively. By contrast, the strongest relationships between peak flowering dates and climate in Gorgan are with rainfall (r = 0.02-0.3, p = 0.8874-0.0528), indicating a weak phenophase response of 0.1d/mm. Gorgan also provides a

VASQUEZ PEAK WILDERNESS STUDY AREA, AND ST. LOUIS PEAK, AND WILLIAMS FORK ROADLESS AREAS, COLORADO.

USGS Publications Warehouse

Theobald, P.K.; Bielski, A.M.

1984-01-01

A mineral-resource survey was conducted during the years 1979-82 in the Vasquez Peak Wilderness Study Area and in the St. Louis Peak and Williams Fork Roadless Areas, central Front Range, Colorado. Probable resource potential for the occurrence of copper, lead, zinc, and silver in massive sulfide deposits has been identified in calcareous metamorphic rocks in the northern part of the St. Louis Peak Roadless Area and in the southern part of the Williams Fork Roadless Area. A probable resource potential for vein-type uranium deposits is identified along the Berthoud Pass fault zone in the eastern part of the Vasquez Peak Wilderness Study Area. A large area encompassing the eastern and southeastern part of each of the three areas has probable and substantiated potential for either high-grade lead-zinc-silver vein deposits, or larger, lower-grade clustered vein deposits. A probable resource potential for stockwork molybdenum deposits related to porphyry molybdenum type mineralization exists beneath the lead-zinc-silver-rich veins. The nature of the geologic terrane indicates little likelihood for the occurrence of organic fuels.

Peak-flow characteristics of Wyoming streams

USGS Publications Warehouse

Miller, Kirk A.

2003-01-01

Peak-flow characteristics for unregulated streams in Wyoming are described in this report. Frequency relations for annual peak flows through water year 2000 at 364 streamflow-gaging stations in and near Wyoming were evaluated and revised or updated as needed. Analyses of historical floods, temporal trends, and generalized skew were included in the evaluation. Physical and climatic basin characteristics were determined for each gaging station using a geographic information system. Gaging stations with similar peak-flow and basin characteristics were grouped into six hydrologic regions. Regional statistical relations between peak-flow and basin characteristics were explored using multiple-regression techniques. Generalized least squares regression equations for estimating magnitudes of annual peak flows with selected recurrence intervals from 1.5 to 500 years were developed for each region. Average standard errors of estimate range from 34 to 131 percent. Average standard errors of prediction range from 35 to 135 percent. Several statistics for evaluating and comparing the errors in these estimates are described. Limitations of the equations are described. Methods for applying the regional equations for various circumstances are listed and examples are given.

Adsorption of Lysine on Na-Montmorillonite and Competition with Ca(2+): A Combined XRD and ATR-FTIR Study.

PubMed

Yang, Yanli; Wang, Shengrui; Liu, Jingyang; Xu, Yisheng; Zhou, Xiaoyun

2016-05-17

Lysine adsorption at clay/aqueous interfaces plays an important role in the mobility, bioavailability, and degradation of amino acids in the environment. Knowledge of these interfacial interactions facilitates our full understanding of the fate and transport of amino acids. Here, X-ray diffraction (XRD) and attenuated total reflectance Fourier-transform infrared spectroscopy (ATR-FTIR) measurements were used to explore the dynamic process of lysine adsorption on montmorillonite and the competition with Ca(2+) at the molecular level. Density functional theory (DFT) calculations were employed to determine the peak assignments of dissolved lysine in the solution phase. Three surface complexes, including dicationic, cationic, and zwitterionic structures, were observed to attach to the clay edge sites and penetrate the interlayer space. The increased surface coverage and Ca(2+) competition did not affect the interfacial lysine structures at a certain pH, whereas an elevated lysine concentration contributed to zwitterionic-type coordination at pH 10. Moreover, clay dissolution at pH 4 could be inhibited at a higher surface coverage with 5 and 10 mM lysine, whereas the inhibition effect was inconspicuous or undetected at pH 7 and 10. The presence of Ca(2+) not only could remove a part of the adsorbed lysine but also could facilitate the readsorption of dissolved Si(4+) and Al(3+) and surface protonation. Our results provide new insights into the process of lysine adsorption and its effects on montmorillonite surface sites.

Exploration of geo-mineral compounds in granite mining soils using XRD pattern data analysis

NASA Astrophysics Data System (ADS)

Koteswara Reddy, G.; Yarakkula, Kiran

2017-11-01

The purpose of the study was to investigate the major minerals present in granite mining waste and agricultural soils near and away from mining areas. The mineral exploration of representative sub-soil samples are identified by X-Ray Diffractometer (XRD) pattern data analysis. The morphological features and quantitative elementary analysis was performed by Scanning Electron Microscopy-Energy Dispersed Spectroscopy (SEM-EDS).The XRD pattern data revealed that the major minerals are identified as Quartz, Albite, Anorthite, K-Feldspars, Muscovite, Annite, Lepidolite, Illite, Enstatite and Ferrosilite in granite waste. However, in case of agricultural farm soils the major minerals are identified as Gypsum, Calcite, Magnetite, Hematite, Muscovite, K-Feldspars and Quartz. Moreover, the agricultural soils neighbouring mining areas, the minerals are found that, the enriched Mica group minerals (Lepidolite and Illite) the enriched Orthopyroxene group minerals (Ferrosilite and Enstatite). It is observed that the Mica and Orthopyroxene group minerals are present in agricultural farm soils neighbouring mining areas and absent in agricultural farm soils away from mining areas. The study demonstrated that the chemical migration takes place at agricultural farm lands in the vicinity of the granite mining areas.

Predicting Peak Flows following Forest Fires

NASA Astrophysics Data System (ADS)

Elliot, William J.; Miller, Mary Ellen; Dobre, Mariana

2016-04-01

Following forest fires, peak flows in perennial and ephemeral streams often increase by a factor of 10 or more. This increase in peak flow rate may overwhelm existing downstream structures, such as road culverts, causing serious damage to road fills at stream crossings. In order to predict peak flow rates following wildfires, we have applied two different tools. One is based on the U.S.D.A Natural Resource Conservation Service Curve Number Method (CN), and the other is by applying the Water Erosion Prediction Project (WEPP) to the watershed. In our presentation, we will describe the science behind the two methods, and present the main variables for each model. We will then provide an example of a comparison of the two methods to a fire-prone watershed upstream of the City of Flagstaff, Arizona, USA, where a fire spread model was applied for current fuel loads, and for likely fuel loads following a fuel reduction treatment. When applying the curve number method, determining the time to peak flow can be problematic for low severity fires because the runoff flow paths are both surface and through shallow lateral flow. The WEPP watershed version incorporates shallow lateral flow into stream channels. However, the version of the WEPP model that was used for this study did not have channel routing capabilities, but rather relied on regression relationships to estimate peak flows from individual hillslope polygon peak runoff rates. We found that the two methods gave similar results if applied correctly, with the WEPP predictions somewhat greater than the CN predictions. Later releases of the WEPP model have incorporated alternative methods for routing peak flows that need to be evaluated.

Passive radio frequency peak power multiplier

DOEpatents

Farkas, Zoltan D.; Wilson, Perry B.

1977-01-01

Peak power multiplication of a radio frequency source by simultaneous charging of two high-Q resonant microwave cavities by applying the source output through a directional coupler to the cavities and then reversing the phase of the source power to the coupler, thereby permitting the power in the cavities to simultaneously discharge through the coupler to the load in combination with power from the source to apply a peak power to the load that is a multiplication of the source peak power.

Nonlinear focal shift beyond the geometrical focus in moderately focused acoustic beams.

PubMed

Camarena, Francisco; Adrián-Martínez, Silvia; Jiménez, Noé; Sánchez-Morcillo, Víctor

2013-08-01

The phenomenon of the displacement of the position along the axis of the pressure, intensity, and radiation force maxima of focused acoustic beams under increasing driving voltages (nonlinear focal shift) is studied for the case of a moderately focused beam. The theoretical and experimental results show the existence of this shift along the axis when the initial pressure in the transducer increases until the acoustic field reaches the fully developed nonlinear regime of propagation. Experimental data show that at high amplitudes and for moderate focusing, the position of the on-axis pressure maximum and radiation force maximum can surpass the geometrical focal length. On the contrary, the on-axis pressure minimum approaches the transducer under increasing driving voltages, increasing the distance between the positive and negative peak pressure in the beam. These results are in agreement with numerical KZK model predictions and the existed data of other authors and can be explained according to the effect of self-refraction characteristic of the nonlinear regime of propagation.

NRF2 Orchestrates the Metabolic Shift during Induced Pluripotent Stem Cell Reprogramming

PubMed Central

Hawkins, Kate E.; Joy, Shona; Delhove, Juliette M.K.M.; Kotiadis, Vassilios N.; Fernandez, Emilio; Fitzpatrick, Lorna M.; Whiteford, James R.; King, Peter J.; Bolanos, Juan P.; Duchen, Michael R.; Waddington, Simon N.; McKay, Tristan R.

2016-01-01

Summary The potential of induced pluripotent stem cells (iPSCs) in disease modeling and regenerative medicine is vast, but current methodologies remain inefficient. Understanding the cellular mechanisms underlying iPSC reprogramming, such as the metabolic shift from oxidative to glycolytic energy production, is key to improving its efficiency. We have developed a lentiviral reporter system to assay longitudinal changes in cell signaling and transcription factor activity in living cells throughout iPSC reprogramming of human dermal fibroblasts. We reveal early NF-κB, AP-1, and NRF2 transcription factor activation prior to a temporal peak in hypoxia inducible factor α (HIFα) activity. Mechanistically, we show that an early burst in oxidative phosphorylation and elevated reactive oxygen species generation mediates increased NRF2 activity, which in turn initiates the HIFα-mediated glycolytic shift and may modulate glucose redistribution to the pentose phosphate pathway. Critically, inhibition of NRF2 by KEAP1 overexpression compromises metabolic reprogramming and results in reduced efficiency of iPSC colony formation. PMID:26904936

Synchrotron-based XRD from rat bone of different age groups.

PubMed

Rao, D V; Gigante, G E; Cesareo, R; Brunetti, A; Schiavon, N; Akatsuka, T; Yuasa, T; Takeda, T

2017-05-01

Synchrotron-based XRD spectra from rat bone of different age groups (w, 56 w and 78w), lumber vertebra at early stages of bone formation, Calcium hydroxyapatite (HAp) [Ca 10 (PO 4 ) 6 (OH) 2 ] bone fill with varying composition (60% and 70%) and bone cream (35-48%), has been acquired with 15keV synchrotron X-rays. Experiments were performed at Desy, Hamburg, Germany, utilizing the Resonant and Diffraction beamline (P9), with 15keV X-rays (λ=0.82666 A 0 ). Diffraction data were quantitatively analyzed using the Rietveld refinement approach, which allowed us to characterize the structure of these samples in their early stages. Hydroxyapatite, received considerable attention in medical and materials sciences, since these materials are the hard tissues, such as bone and teeth. Higher bioactivity of these samples gained reasonable interest for biological application and for bone tissue repair in oral surgery and orthopedics. The results obtained from these samples, such as phase data, crystalline size of the phases, as well as the degree of crystallinity, confirm the apatite family crystallizing in a hexagonal system, space group P6 3 /m with the lattice parameters of a=9.4328Å and c=6.8842Å (JCPDS card #09-0432). Synchrotron-based XRD patterns are relatively sharp and well resolved and can be attributed to the hexagonal crystal form of hydroxyapatite. All the samples were examined with scanning electron microscope at an accelerating voltage of 15kV. The presence of large globules of different sizes is observed, in small age groups of the rat bone (8w) and lumber vertebra (LV), as distinguished from, large age groups (56 and 78w) in all samples with different magnification, reflects an amorphous phase without significant traces of crystalline phases. Scanning electron microscopy (SEM) was used to characterize the morphology and crystalline properties of Hap, for all the samples, from 2 to 100μm resolution. Copyright © 2017 Elsevier B.V. All rights reserved.

Pulsed UV laser-induced modifications in optical and structural characteristics of alpha-irradiated PM-355 SSNTD.

PubMed

Alghamdi, S S; Farooq, W A; Baig, M R; Algarawi, M S; Alrashidi, Talal Mohammed; Ali, Syed Mansoor; Alfaramawi, K

2017-10-01

Pre- and postalpha-exposed PM-355 detectors were irradiated using UV laser with different number of pulses (100, 150, 200, 300, and 400). UV laser beam energy of 20mJ per pulse with a pulse width of 9ns was incident on an area of 19.6mm 2 of the samples. XRD spectra indicated that for both reference and UV-irradiated samples, the structure is amorphous, but the crystallite size increases upon UV irradiation. The same results were obtained from SEM analysis. Optical properties of PM-355 polymeric solid-state nuclear track detectors were also investigated. Absorbance measurements for all PM-355 samples in the range of 200-400nm showed that the absorption edge had a blue shift up to a certain value, and then, it had an oscillating behavior. Photoluminescence spectra of PM-355 at 250nm revealed a decrease in the broadband peak intensity as a function of the number of UV pulses, while the wavelengths corresponding to the peaks had random shifts. Copyright © 2017 Elsevier Ltd. All rights reserved.

Peak capacity, peak-capacity production rate, and boiling point resolution for temperature-programmed GC with very high programming rates

PubMed

Grall; Leonard; Sacks

2000-02-01

Recent advances in column heating technology have made possible very fast linear temperature programming for high-speed gas chromatography. A fused-silica capillary column is contained in a tubular metal jacket, which is resistively heated by a precision power supply. With very rapid column heating, the rate of peak-capacity production is significantly enhanced, but the total peak capacity and the boiling-point resolution (minimum boiling-point difference required for the separation of two nonpolar compounds on a nonpolar column) are reduced relative to more conventional heating rates used with convection-oven instruments. As temperature-programming rates increase, elution temperatures also increase with the result that retention may become insignificant prior to elution. This results in inefficient utilization of the down-stream end of the column and causes a loss in the rate of peak-capacity production. The rate of peak-capacity production is increased by the use of shorter columns and higher carrier gas velocities. With high programming rates (100-600 degrees C/min), column lengths of 6-12 m and average linear carrier gas velocities in the 100-150 cm/s range are satisfactory. In this study, the rate of peak-capacity production, the total peak capacity, and the boiling point resolution are determined for C10-C28 n-alkanes using 6-18 m long columns, 50-200 cm/s average carrier gas velocities, and 60-600 degrees C/min programming rates. It was found that with a 6-meter-long, 0.25-mm i.d. column programmed at a rate of 600 degrees C/min, a maximum peak-capacity production rate of 6.1 peaks/s was obtained. A total peak capacity of about 75 peaks was produced in a 37-s long separation spanning a boiling-point range from n-C10 (174 degrees C) to n-C28 (432 degrees C).

Temporary shift in masked hearing thresholds in odontocetes after exposure to single underwater impulses from a seismic watergun.

PubMed

Finneran, James J; Schlundt, Carolyn E; Dear, Randall; Carder, Donald A; Ridgway, Sam H

2002-06-01

A behavioral response paradigm was used to measure masked underwater hearing thresholds in a bottlenose dolphin (Tursiops truncatus) and a white whale (Delphinapterus leucas) before and after exposure to single underwater impulsive sounds produced from a seismic watergun. Pre- and postexposure thresholds were compared to determine if a temporary shift in masked hearing thresholds (MTTS), defined as a 6-dB or larger increase in postexposure thresholds, occurred. Hearing thresholds were measured at 0.4, 4, and 30 kHz. MTTSs of 7 and 6 dB were observed in the white whale at 0.4 and 30 kHz, respectively, approximately 2 min following exposure to single impulses with peak pressures of 160 kPa, peak-to-peak pressures of 226 dB re 1 microPa, and total energy fluxes of 186 dB re 1 microPa2 x s. Thresholds returned to within 2 dB of the preexposure value approximately 4 min after exposure. No MTTS was observed in the dolphin at the highest exposure conditions: 207 kPa peak pressure, 228 dB re 1 microPa peak-to-peak pressure, and 188 dB re 1 microPa2 x s total energy flux.

Chromium substitution in mullite type bismuth aluminate: Bi{sub 2}Cr{sub x}Al{sub 4−x}O{sub 9} with 0≤x≤2.0

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

Debnath, Tapas, E-mail: debnath@du.ac.bd; Ullah, Ahamed; Rüscher, Claus H.

2014-12-15

Nominal compositions Bi{sub 2}Cr{sub x}Al{sub 4−x}O{sub 9} with 0.0≤x≤2.0 (Δx=0.2) were prepared using appropriate amounts of nitrates dissolved in glycerine and heated at 800 °C for 24 h as we previously used for the preparation of solid solution series Bi{sub 2}M{sub x}/M′{sub 4−x}O{sub 9} (M/M′=Fe/Al, Ga/Al and Fe/Ga). The samples were characterized using XRD, FTIR and optical microscopic techniques. Analyses of XRD data show mullite type single phase can be prepared up to x=1.2. The lattice parameters (a, b and c) increases with increasing Cr content. Further increase in x (i.e., x≥1.4) show the presence of some additional phases indicatingmore » a limiting value for Cr doping is in the range of 1.2≤x<1.4. The effect of Cr incorporation could also be observed in the infrared absorption spectra via systematic hard mode shifts of certain lattice modes, e.g. the Bi–O related vibration changes from 96 cm{sup −1} to 93 cm{sup −1} with increasing x up to 1.2 and certain intensity changes together with shift in peak positions. Interestingly, the absence of any splitting and shift of the high energy IR absorption peak at 821 cm{sup −1} as assigned to the characteristic tetrahedral type dimer, Al{sub 2}O{sub 7}, indicate that the Cr thus partially substitutes only the octahedrally coordinated Al. This is confirmed by Rietveld structure refinements, too. - Graphical abstract: Structural model of Cr doped bismuth aluminate, Bi{sub 2}Cr{sub x}Al{sub 4−x}O{sub 9}. - Highlights: • Chromium doped bismuth aluminate, Bi{sub 2}Cr{sub x}Al{sub 4−x}O{sub 9} with mullite type structure are synthesized. • The samples are characterized by XRD and FTIR techniques. • Cr can replace only certain amount of octahedrally coordinated Al in Bi{sub 2}Al{sub 4}O{sub 9} under present experimental conditions.« less

Preparation and structural characterization of corn starch-aroma compound inclusion complexes.

PubMed

Zhang, Shu; Zhou, Yibin; Jin, Shanshan; Meng, Xin; Yang, Liping; Wang, Haisong

2017-01-01

Six corn starch inclusion complexes were synthesized using small nonpolar or weak polar aroma compounds (heptanolide, carvone and menthone) and small polar aroma compounds (linalool, heptanol and menthol). The objectives of this study were to (a) investigate the ability of corn starch to form inclusion complexes with these aroma compounds and (b) characterize the structure of the corn starch inclusion complexes. The resulting inclusion ratios were 75.6, 36.9, 43.8, 91.9, 67.2 and 54.7% for heptanolide, carvone, menthone, linalool, heptanol and menthol respectively. The inclusion complexes had laminated structures with a certain amount of holes or blocky constructions. Compared with gelatinized corn starch, the transition temperatures, peak temperatures and enthalpies of the inclusion complexes were significantly different. The major peak of CO at 1771 cm -1 and significant peak shifts revealed the formation of inclusion complexes. X-ray diffractometry (XRD) analyses revealed that the crystallinity of corn starch-polar aroma compound inclusion complexes increased. Based on cross-polarization magic angle spinning 13 C nuclear magnetic resonance (CP-MAS 13 C NMR) results, novel peaks and chemical shifts were attributed to the presence of small aroma compounds, thereby confirming the formation of corn starch inclusion complexes. Small nonpolar and polar aroma compounds can be complexed to corn starch. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Impedance self-matching ultra-narrow linewidth fiber resonator by use of a tunable π-phase-shifted FBG.

PubMed

Jing, Mingyong; Yu, Bo; Hu, Jianyong; Hou, Huifang; Zhang, Guofeng; Xiao, Liantuan; Jia, Suotang

2017-05-15

In this paper, we present a novel ultra-narrow linewidth fiber resonator formed by a tunable polarization maintaining (PM) π-phase-shifted fiber Bragg grating and a PM uniform fiber Bragg grating with a certain length of PM single mode fiber patch cable between them. Theoretical prediction shows that this resonator has ultra-narrow linewidth resonant peaks and is easy to realize impedance matching. We experimentally obtain 3 MHz narrow linewidth impedance matched resonant peak in a 7.3 m ultra-long passive fiber cavity. The impedance self-matching characteristic of this resonator also makes itself particularly suitable for use in ultra-sensitive sensors, ultra-narrow band rejection optical filters and fiber lasers applications.

Shifting schedules: the health effects of reorganizing shift work.

PubMed

Bambra, Clare L; Whitehead, Margaret M; Sowden, Amanda J; Akers, Joanne; Petticrew, Mark P

2008-05-01

Approximately one fifth of workers are engaged in some kind of shift work. The harmful effects of shift work on the health and work-life balance of employees are well known. A range of organizational interventions has been suggested to address these negative effects. This study undertook the systematic review (following Quality Of Reporting Of Meta [QUORUM] analyses guidelines) of experimental and quasi-experimental studies, from any country (in any language) that evaluated the effects on health and work-life balance of organizational-level interventions that redesign shift work schedules. Twenty-seven electronic databases (medical, social science, economic) were searched. Data extraction and quality appraisal were carried out by two independent reviewers. Narrative synthesis was performed. The review was conducted between October 2005 and November 2006. Twenty-six studies were found relating to a variety of organizational interventions. No one type of intervention was found to be consistently harmful to workers. However, three types were found to have beneficial effects on health and work-life balance: (1) switching from slow to fast rotation, (2) changing from backward to forward rotation, and (3) self-scheduling of shifts. Improvements were usually at little or no direct organizational cost. However, there were concerns about the generalizability of the evidence, and no studies reported on impacts on health inequalities. This review reinforces the findings of epidemiologic and laboratory-based research by suggesting that certain organizational-level interventions can improve the health of shift workers, their work-life balance, or both. This evidence could be useful when designing interventions to improve the experience of shift work.

Influence of smectite suspension structure on sheet orientation in dry sediments: XRD and AFM applications.

PubMed

Zbik, Marek S; Frost, Ray L

2010-06-15

The structure-building phenomena within clay aggregates are governed by forces acting between clay particles. Measurements of such forces are important to understand in order to manipulate the aggregate structure for applications such as dewatering of mineral processing tailings. A parallel particle orientation is required when conducting XRD investigation on the oriented samples and conduct force measurements acting between basal planes of clay mineral platelets using atomic force microscopy (AFM). To investigate how smectite clay platelets were oriented on silicon wafer substrate when dried from suspension range of methods like SEM, XRD and AFM were employed. From these investigations, we conclude that high clay concentrations and larger particle diameters (up to 5 microm) in suspension result in random orientation of platelets in the substrate. The best possible laminar orientation in the clay dry film, represented in the XRD 001/020 intensity ratio of 47 was obtained by drying thin layers from 0.02 wt.% clay suspensions of the natural pH. Conducted AFM investigations show that smectite studied in water based electrolytes show very long-range repulsive forces lower in strength than electrostatic forces from double-layer repulsion. It was suggested that these forces may have structural nature. Smectite surface layers rehydrate in water environment forms surface gel with spongy and cellular texture which cushion approaching AFM probe. This structural effect can be measured in distances larger than 1000 nm from substrate surface and when probe penetrate this gel layer, structural linkages are forming between substrate and clay covered probe. These linkages prevent subsequently smooth detachments of AFM probe on way back when retrieval. This effect of tearing new formed structure apart involves larger adhesion-like forces measured in retrieval. It is also suggested that these effect may be enhanced by the nano-clay particles interaction. 2010 Elsevier Inc. All

GLAST answers about high-energy peaked BL Lacs: double-humped {gamma}-ray peak and extreme accelerators?

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

Costamante, L.; Aharonian, F.; Khangulyan, D.

2007-07-12

An often overlooked fact is that the MeV-GeV emission from High-energy peaked BL Lacs (HBL) is basically unknown: there are only 3 objects of this type among all EGRET identified blazars with measured spectra. GLAST will be able to measure the spectrum for many of them, in particular TeV-blazars, and surprises are expected. GLAST will tell if the {gamma}-ray peak in some HBL is actually a ''double peak'', as suggested by the comparison of EGRET and HESS data in PKS 2155-304, We also remind and argue that a new class of BL Lacs could exist, where particles are shock-accelerated nearmore » the maximum possible rate, characterized by the synchrotron emission peaking in the GLAST band (100 MeV - few GeV). Such objects could easily have escaped detection or identification so far, and could now be unveiled by GLAST.« less

Influence of Ba/Fe mole ratios on magnetic properties, crystallite size and shifting of X-ray diffraction peaks of nanocrystalline BaFe12O19 powder, prepared by sol gel auto combu

NASA Astrophysics Data System (ADS)

Suastiyanti, Dwita; Sudarmaji, Arif; Soegijono, Bambang

2012-06-01

Barium hexaferrite BaFe12O19 (BFO) is of great importance as permanent magnets, particularly for magnetic recording as well as in microwave devices. Nano-crystalline BFO powders were prepared by sol gel auto combustion method in citric acid - metal nitrates system. Hence the mole ratios of Ba/Fe were variated at 1:12; 1:11.5 and 1:11. Ratio of cation to fuel was fixed at 1:1. An appropriate amount of amonia solution was added dropwise to this solution with constant stirring until the PH reached 7 in all cases. Heating at 850oC for 10 hours for each sample to get final formation of BFO nanocrystalline. The data from XRD showing the lattice parameters a,c and the unit-cell volume V, confirm that BFO with ratio 1:12 has same crystall parameters with ratio 1:11. Ratio of Ba/Fe 1:12 and 1:11 have diffraction pattern similarly at almost each 2 θ for each samples. Ratio of Ba/Fe 1: 11.5 has the finest crystallite size 22 nm. Almost diffraction pattern peaks of Ba/Fe 1:11.5 move to the left from of Ba/Fe 1:12 then return to diffraction pattern of Ba/Fe 1:12 for Ba/Fe 1:11. SEM observations show the particle size less than 100 nm and the same shape for each sample. Ratio of Ba/Fe 1: 12 gives the highest intrinsic coercive Hc = 427.3 kA/m. The highest remanent magnetization is at ratio 1:11 with Mr = 0.170 T. BFO with mole ratio 1:11.5 has the finest grain 22 nm, good magnetic properties and the highest value of best FoM 89%.

Peak experiences of psilocybin users and non-users.

PubMed

Cummins, Christina; Lyke, Jennifer

2013-01-01

Maslow (1970) defined peak experiences as the most wonderful experiences of a person's life, which may include a sense of awe, well-being, or transcendence. Furthermore, recent research has suggested that psilocybin can produce experiences subjectively rated as uniquely meaningful and significant (Griffiths et al. 2006). It is therefore possible that psilocybin may facilitate or change the nature of peak experiences in users compared to non-users. This study was designed to compare the peak experiences of psilocybin users and non-users, to evaluate the frequency of peak experiences while under the influence of psilocybin, and to assess the perceived degree of alteration of consciousness during these experiences. Participants were recruited through convenience and snowball sampling from undergraduate classes and at a musical event. Participants were divided into three groups, those who reported a peak experience while under the influence of psilocybin (psilocybin peak experience: PPE), participants who had used psilocybin but reported their peak experiences did not occur while they were under the influence of psilocybin (non-psilocybin peak experience: NPPE), and participants who had never used psilocybin (non-user: NU). A total of 101 participants were asked to think about their peak experiences and complete a measure evaluating the degree of alteration of consciousness during that experience. Results indicated that 47% of psilocybin users reported their peak experience occurred while using psilocybin. In addition, there were significant differences among the three groups on all dimensions of alteration of consciousness. Future research is necessary to identify factors that influence the peak experiences of psilocybin users in naturalistic settings and contribute to the different characteristics of peak experiences of psilocybin users and non-users.

Extragalactic Peaked-spectrum Radio Sources at Low Frequencies

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

Callingham, J. R.; Gaensler, B. M.; Sadler, E. M.

We present a sample of 1483 sources that display spectral peaks between 72 MHz and 1.4 GHz, selected from the GaLactic and Extragalactic All-sky Murchison Widefield Array (GLEAM) survey. The GLEAM survey is the widest fractional bandwidth all-sky survey to date, ideal for identifying peaked-spectrum sources at low radio frequencies. Our peaked-spectrum sources are the low-frequency analogs of gigahertz-peaked spectrum (GPS) and compact-steep spectrum (CSS) sources, which have been hypothesized to be the precursors to massive radio galaxies. Our sample more than doubles the number of known peaked-spectrum candidates, and 95% of our sample have a newly characterized spectral peak.more » We highlight that some GPS sources peaking above 5 GHz have had multiple epochs of nuclear activity, and we demonstrate the possibility of identifying high-redshift ( z > 2) galaxies via steep optically thin spectral indices and low observed peak frequencies. The distribution of the optically thick spectral indices of our sample is consistent with past GPS/CSS samples but with a large dispersion, suggesting that the spectral peak is a product of an inhomogeneous environment that is individualistic. We find no dependence of observed peak frequency with redshift, consistent with the peaked-spectrum sample comprising both local CSS sources and high-redshift GPS sources. The 5 GHz luminosity distribution lacks the brightest GPS and CSS sources of previous samples, implying that a convolution of source evolution and redshift influences the type of peaked-spectrum sources identified below 1 GHz. Finally, we discuss sources with optically thick spectral indices that exceed the synchrotron self-absorption limit.« less

Quantitative Analysis of Temperature Dependence of Raman shift of monolayer WS2

NASA Astrophysics Data System (ADS)

Huang, Xiaoting; Gao, Yang; Yang, Tianqi; Ren, Wencai; Cheng, Hui-Ming; Lai, Tianshu

2016-08-01

We report the temperature-dependent evolution of Raman spectra of monolayer WS2 directly CVD-grown on a gold foil and then transferred onto quartz substrates over a wide temperature range from 84 to 543 K. The nonlinear temperature dependence of Raman shifts for both and A1g modes has been observed. The first-order temperature coefficients of Raman shifts are obtained to be -0.0093 (cm-1/K) and -0.0122 (cm-1/K) for and A1g peaks, respectively. A physical model, including thermal expansion and three- and four-phonon anharmonic effects, is used quantitatively to analyze the observed nonlinear temperature dependence. Thermal expansion coefficient (TEC) of monolayer WS2 is extracted from the experimental data for the first time. It is found that thermal expansion coefficient of out-plane mode is larger than one of in-plane mode, and TECs of and A1g modes are temperature-dependent weakly and strongly, respectively. It is also found that the nonlinear temperature dependence of Raman shift of mode mainly originates from the anharmonic effect of three-phonon process, whereas one of A1g mode is mainly contributed by thermal expansion effect in high temperature region, revealing that thermal expansion effect cannot be ignored.

Individual vision and peak distribution in collective actions

NASA Astrophysics Data System (ADS)

Lu, Peng

2017-06-01

People make decisions on whether they should participate as participants or not as free riders in collective actions with heterogeneous visions. Besides of the utility heterogeneity and cost heterogeneity, this work includes and investigates the effect of vision heterogeneity by constructing a decision model, i.e. the revised peak model of participants. In this model, potential participants make decisions under the joint influence of utility, cost, and vision heterogeneities. The outcomes of simulations indicate that vision heterogeneity reduces the values of peaks, and the relative variance of peaks is stable. Under normal distributions of vision heterogeneity and other factors, the peaks of participants are normally distributed as well. Therefore, it is necessary to predict distribution traits of peaks based on distribution traits of related factors such as vision heterogeneity and so on. We predict the distribution of peaks with parameters of both mean and standard deviation, which provides the confident intervals and robust predictions of peaks. Besides, we validate the peak model of via the Yuyuan Incident, a real case in China (2014), and the model works well in explaining the dynamics and predicting the peak of real case.

XRD, TEM, and thermal analysis of Arizona Ca-montmorillonites modified with didodecyldimethylammonium bromide.

PubMed

Sun, Zhiming; Park, Yuri; Zheng, Shuilin; Ayoko, Godwin A; Frost, Ray L

2013-10-15

An Arizona SAz-2 calcium montmorillonite was modified by a typical dialkyl cationic surfactant (didodecyldimethylammonium bromide, abbreviated to DDDMA) through direct ion exchange. The obtained organoclays were characterized by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HR-TEM), high-resolution thermogravimetric analysis (HR-TG), and infrared emission spectroscopy (IES). The intercalation of surfactants greatly increased the basal spacing of the interlayers and the conformation arrangement of the loaded surfactant were assessed based on the XRD and TEM measurements. This work shows that the dialkyl surfactant can be directly intercalated into the montmorillonite without first undergoing Na(+) exchange. Moreover, the thermal stability of organoclays and the different arrangements of the surfactant molecules intercalated in the SAz-2 Ca-montmorillonite were determined by a combination of TG and IES techniques. The detailed conformational ordering of different intercalated surfactants under different conditions was also studied. The surfactant molecule DDDMA has proved to be thermally stable even at 400°C which indicates that the prepared organoclay is stable to significantly high temperatures. This study offers new insights into the structure and thermal stabilities of SAz-2 Ca-montmorillonite modified with DDDMA. The experimental results also confirm the potential applications of organic SAz-2 Ca-montmorillonites as adsorbents and polymer-clay nanocomposites. Copyright © 2013 Elsevier Inc. All rights reserved.

Peak data for U.S. Geological Survey gaging stations, Texas network and computer program to estimate peak-streamflow frequency

USGS Publications Warehouse

Slade, R.M.; Asquith, W.H.

1996-01-01

About 23,000 annual peak streamflows and about 400 historical peak streamflows exist for about 950 stations in the surface-water data-collection network of Texas. These data are presented on a computer diskette along with the corresponding dates, gage heights, and information concerning the basin, and nature or cause for the flood. Also on the computer diskette is a U.S. Geological Survey computer program that estimates peak-streamflow frequency based on annual and historical peak streamflow. The program estimates peak streamflow for 2-, 5-, 10-, 25-, 50-, and 100-year recurrence intervals and is based on guidelines established by the Interagency Advisory Committee on Water Data. Explanations are presented for installing the program, and an example is presented with discussion of its options.

Developmental weighting shifts for noise components of fricative-vowel syllables.

PubMed

Nittrouer, S; Miller, M E

1997-07-01

Previous studies have convincingly shown that the weight assigned to vocalic formant transitions in decisions of fricative identity for fricative-vowel syllables decreases with development. Although these same studies suggested a developmental increase in the weight assigned to the noise spectrum, the role of the aperiodic-noise portions of the signals in these fricative decisions have not been as well-studied. The purpose of these experiments was to examine more closely developmental shifts in the weight assigned to the aperiodic-noise components of the signals in decisions of syllable-initial fricative identity. Two experiments used noises varying along continua from a clear /s/ percept to a clear /[symbol: see text]/ percept. In experiment 1, these noises were created by combining /s/ and /[symbol: see text]/ noises produced by a human vocal tract at different amplitude ratios, a process that resulted in stimuli differing primarily in the amplitude of a relatively low-frequency (roughly 2.2-kHz) peak. In experiment 2, noises that varied only in the amplitude of a similar low-frequency peak were created with a software synthesizer. Both experiments used synthetic /a/ and /u/ portions, and efforts were made to minimize possible contributions of vocalic formant transitions to fricative labeling. Children and adults labeled the resulting stimuli as /s/ vowel or /[symbol: see text]/ vowel. Combined results of the two experiments showed that children's responses were less influenced than those of adults by the amplitude of the low-frequency peak of fricative noises.

Measuring peak expiratory flow in general practice: comparison of mini Wright peak flow meter and turbine spirometer.

PubMed Central

Jones, K P; Mullee, M A

1990-01-01

OBJECTIVE--To compare measurements of the peak expiratory flow rate taken by the mini Wright peak flow meter and the turbine spirometer. DESIGN--Pragmatic study with randomised order of use of recording instruments. Phase 1 compared a peak expiratory flow type expiration recorded by the mini Wright peak flow meter with an expiration to forced vital capacity recorded by the turbine spirometer. Phase 2 compared peak expiratory flow type expirations recorded by both meters. Reproducibility was assessed separately. SETTING--Routine surgeries at Aldermoor Health Centre, Southampton. SUBJECTS--212 Patients aged 4 to 78 presenting with asthma or obstructive airways disease. Each patient contributed only once to each phase (105 in phase 1, 107 in phase 2), but some entered both phases on separate occasions. Reproducibility was tested on a further 31 patients. MAIN OUTCOME MEASURE--95% Limits of agreement between measurements on the two meters. RESULTS--208 (98%) Of the readings taken by the mini Wright meter were higher than the corresponding readings taken by the turbine spirometer, but the 95% limits of agreement (mean difference (2 SD] were wide (1 to 173 l/min). Differences due to errors in reproducibility were not sufficient to predict this level of disagreement. Analysis by age, sex, order of use, and the type of expiration did not detect any significant differences. CONCLUSIONS--The two methods of measuring peak expiratory flow rate were not comparable. The mini Wright meter is likely to remain the preferred instrument in general practice. PMID:2142611

Fabrication and characterization of nickel oxide nanoparticles/silicon NiO NPS/Si

NASA Astrophysics Data System (ADS)

Shuihab, Aliyah; Khalf, Surour

2018-05-01

In this study, (NiO) thin film which prepared by chemical method and deposited by drop casting technique on glass. The structural, optical and chemical analyses have been investigated. X-ray diffraction (XRD) measurements relieve that the (NiO) thin film was polycrystalline, cubic structure and there is no trace of the other material. UV-Vis measurements reveal that the energy gap of (NiO) thin film was found 1.8 eV. The Fourier Transform Infrared Spectroscopy (FTIR) spectrum of (NiO) thin film shows NiO nanoparticles had its IR peak of Ni-O stretching vibration and shifted to blue direction. Due to their quantum size effect and spherical nanostructures, the FTIR absorption of NiO nanoparticles is blue-shifted compared to that of the bulk form.

The enhancement in optical and magnetic properties of Na-doped LaFeO3

NASA Astrophysics Data System (ADS)

Devi, E.; Kalaiselvi, B. J.

2018-04-01

La1-xNaxFeO3(x=0.00 and 0.05) were synthesized by sol-gel auto-combustion method. No evidence of impurity phase and the peak (121) slightly shift towards lower angle is confirmed by X-ray diffraction analysis (XRD). The UV-visible spectra show strong absorption peak centered at approximately 231 nm and the calculated optical band gap are found to be 2.73eV, 2.36eV for x = 0.00 and 0.05, respectively. The M-H loop of pure sample is anti-ferromagnetic, whereas those of the Na doped sample shows enhanced ferromagnetic behavior. The remnant magnetization (Mr), saturation magnetization (Ms) and coercive field (Hc) of Na-doped sample are enhanced to 1.06emu/g, 5.39emu/g and 182.84kOe, respectively.

A Surrogate for Debye-Waller Factors from Dynamic Stokes Shifts

PubMed Central

Zhong, Qin; Johnson, Jerainne; Aamer, Khaled A.; Tyagi, Madhusudan

2011-01-01

We show that the short-time behavior of time-resolved fluorescence Stokes shifts (TRSS) are similar to that of the intermediate scattering function obtained from neutron scattering at q near the peak in the static structure factor for glycerol. This allows us to extract a Debye-Waller (DW) factor analog from TRSS data at times as short as 1 ps in a relatively simple way. Using the time-domain relaxation data obtained by this method we show that DW factors evaluated at times ≥ 40 ps can be directly influenced by α relaxation and thus should be used with caution when evaluating relationships between fast and slow dynamics in glassforming systems. PMID:21701673

Helping System Engineers Bridge the Peaks

NASA Technical Reports Server (NTRS)

Rungta, Neha; Tkachuk, Oksana; Person, Suzette; Biatek, Jason; Whalen, Michael W.; Castle, Joseph; Castle, JosephGundy-Burlet, Karen

2014-01-01

In our experience at NASA, system engineers generally follow the Twin Peaks approach when developing safety-critical systems. However, iterations between the peaks require considerable manual, and in some cases duplicate, effort. A significant part of the manual effort stems from the fact that requirements are written in English natural language rather than a formal notation. In this work, we propose an approach that enables system engineers to leverage formal requirements and automated test generation to streamline iterations, effectively "bridging the peaks". The key to the approach is a formal language notation that a) system engineers are comfortable with, b) is supported by a family of automated V&V tools, and c) is semantically rich enough to describe the requirements of interest. We believe the combination of formalizing requirements and providing tool support to automate the iterations will lead to a more efficient Twin Peaks implementation at NASA.

The high - low-p clinoenstatite transition: in situ xrd and ultrasonic study

NASA Astrophysics Data System (ADS)

Müller, H. J.; Wunder, B.; Lathe, C.; Schilling, F. R.

2003-04-01

Using single-crystal X-ray diffraction analyses in a diamond anvil cell Angel et al. (1992) published the transformation of MgSiO_3 from LCEn to a C2/c-polymorph (HCEn) at around 5.5 - 8.0 GPa and room-T (RT)conditions. This LCEn - HCEn-transition is not quenchable. However, the knowledge of the exact phase boundary positions for the MgSiO_3-transitions is essential as pyroxene is an important component of the Earth's mantle and will significantly influence elastic properties (e.g. v_p, v_s) of the mantle. We determined the HCEn - LCEn-transition by in-situ XRD experiments under high P, T using the multi-anvil appar atus MAX80 at the synchrotron facility HASYLAB, Hamburg. Our preliminary results only represent the minimum P-conditions of the HCEn - LCEn phase boundary, which is approximated by equation P (GPa) = 0.0021T (/C) + 6.06. Nevertheless, our results are in good agreement to data published by Angel & Hugh-Jones (1994). The invariant point defined by the intersection of the HCEn - LCEn equilibrium determined within this study and the OEn - LCEn reaction after Angel &Hugh-Jones (1994) lies at about 7.9 GPa and 875/C. This is in contrast to earlier experimental results of Kanzaki (1991) and Ulmer &Stalder (2001). The samples for the ultrasonic interferometry experiments were prepared by hot-isostatic pressing also using the MAX80. Adjacent XRD ruled out any phase transition during the hip-process. For the ultrasonic measurements one of the six anvils of MAX80 were exchanged by an anvil equipped with lithium niobate p- and s-wave transducers of 33.3 MHz natural frequency (Mueller et al., 2002). Corresponding to the XRD experiments HCEn was formed by increasing the pressure at RT. The velocities of elastic compressional and shear waves were measured under in situ conditions using the classical digital sweep technique. After the phase transition to LCEn as a result of rising the temperature at given pressure the measurements were repeated. The newly developed

Sharpening of the 6.8 nm peak in an Nd:YAG laser produced Gd plasma by using a pre-formed plasma

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

Tian, Yong; Song, Xiaolin; Xie, Zhuo

For effective use of a laser-produced-plasma (LPP) light source, an LPP is desired to emit a narrow spectral peak because the reflection spectrum of multilayer mirrors for guiding emission from the source is very narrow. While a Gd plasma has been studied extensively as an extreme ultraviolet (EUV) light source at around 6.8 nm, where La/B{sub 4}C multilayer is reported to have a high reflectivity with a bandwidth of about 0.6 %, all previous works using an Nd:YAG laser reported very broad spectra. This paper reports the first narrowing of the 6.8 nm peak in the case of using anmore » Nd:YAG laser to generate a Gd plasma by using a pre-pulse. The best peak narrowing is observed when a pre-formed plasma is heated by a 1064 nm main laser pulse with a duration of 10 ns at the irradiation density of 4x 10{sup 11} W/cm{sup 2} at a delay time of 50 ns after the pre-pulse irradiation. The observed spectral width of about 0.3 nm is about one fifth of the value for no pre-formed plasma. The peak wavelength of the 6.8 nm band shifted to a longer wavelength side and the peak was broadened both for lower and higher laser irradiation density. It is discussed that this robustness of the peak position of the 6.8 nm Gd peak against temperature change is suitable to achieve a narrow bandwidth from an LPP generated on solid. The observed spectra are compared with those previously reported in various conditions.« less

Fluid Shifts

NASA Technical Reports Server (NTRS)

Stenger, M. B.; Hargens, A.; Dulchavsky, S.; Ebert, D.; Lee, S.; Laurie, S.; Garcia, K.; Sargsyan, A.; Martin, D.; Lui, J.;

[Preparation and spectral analysis of a new type of blue light-emitting material delta-Alq3].

PubMed

Wang, Hua; Hao, Yu-ying; Gao, Zhi-xiang; Zhou, He-feng; Xu, Bing-she

2006-10-01

In the present article, delta-Alq3, a new type of blue light-emitting material, was synthesized and investigated by IR spectra, XRD spectra, UV-Vis absorption spectra, photoluminescence (PL) spectra, and electroluminescence (EL) spectra. The relationship between molecular spatial structure and spectral characteristics was studied by the spectral analysis of delta-Alq3 and alpha-Alq3. Results show that a new phase of Alq3 (delta-Alq3) can be obtained by vacuum heating alpha-Alq3, and the molecular spatial structure of alpha-Alq3 changes during the vacuum heating. The molecular spatial structure of delta-Alq3 lacks symmetry compared to alpha-Alq3. This transformation can reduce the electron cloud density on phenoxide of Alq3 and weaken the intermolecular conjugated interaction between adjacent Alq3 molecules. Hence, the pi--pi* electron transition absorption peak of delta-Alq3 shifts toward short wavelength in UV-Vis absorption spectra, and the maximum emission peak of delta-Alq3 (lamda max = 480 nm) blue-shifts by 35 nm compared with that of alpha-Alq3 (lamda max = 515 nm) in PL spectra. The maximum emission peaks of delta-Alq3 and alpha-Alq3 are all at 520 nm in EL spectra.

Enhanced photoluminescence and Raman properties of Al-Doped ZnO nanostructures prepared using thermal chemical vapor deposition of methanol assisted with heated brass.

PubMed

Thandavan, Tamil Many K; Gani, Siti Meriam Abdul; San Wong, Chiow; Md Nor, Roslan

2015-01-01

Vapor phase transport (VPT) assisted by mixture of methanol and acetone via thermal evaporation of brass (CuZn) was used to prepare un-doped and Al-doped zinc oxide (ZnO) nanostructures (NSs). The structure and morphology were characterized by field emission scanning electron microscopy (FESEM) and x-ray diffraction (XRD). Photoluminescence (PL) properties of un-doped and Al-doped ZnO showed significant changes in the optical properties providing evidence for several types of defects such as zinc interstitials (Zni), oxygen interstitials (Oi), zinc vacancy (Vzn), singly charged zinc vacancy (VZn-), oxygen vacancy (Vo), singly charged oxygen vacancy (Vo+) and oxygen anti-site defects (OZn) in the grown NSs. The Al-doped ZnO NSs have exhibited shifted PL peaks at near band edge (NBE) and red luminescence compared to the un-doped ZnO. The Raman scattering results provided evidence of Al doping into the ZnO NSs due to peak shift from 145 cm-1 to an anomalous peak at 138 cm-1. Presence of enhanced Raman signal at around 274 and 743 cm-1 further confirmed Al in ZnO NSs. The enhanced D and G band in all Al-doped ZnO NSs shows possible functionalization and doping process in ZnO NSs.

Shifts in historical streamflow extremes in the Colorado River Basin

DOE PAGES

Solander, Kurt C.; Bennett, Katrina Eleanor; Middleton, Richard Stephen

2017-07-10

The global phenomenon of climate change-induced shifts in precipitation leading to "wet regions getting wetter" and "dry regions getting drier" has been widely studied. However, the propagation of these changes in atmospheric moisture within stream channels is not a direct relationship due to differences in the timing of how changing precipitation patterns interact with various land surfaces. Streamflow is of particular interest in the Colorado River Basin (CRB) due to the region’s rapidly growing population, projected temperature increases that are expected to be higher than elsewhere in the contiguous United States, and subsequent climate-driven disturbances including drought, vegetation mortality, andmore » wildfire, which makes the region more vulnerable to changes in hydrologic extremes. Here in this study, we determine how streamflow extremes have shifted in the CRB using two statistical methods—the Mann-Kendall trend detection analysis and Generalized Extreme Value (GEV) theorem. We evaluate these changes in the context of key flow metrics that include high and low flow percentiles, maximum and minimum 7-day flows, and the center timing of streamflow using historical gage records representative of natural flows. Monthly results indicate declines of up to 41% for high and low flows during the June to July peak runoff season, while increases of up to 24% were observed earlier from March to April. Finally, our results highlight a key threshold elevation and latitude of 2300 m and 39° North, respectively, where there is a distinct shift in the trend. The spatiotemporal patterns observed are indicative of changing snowmelt patterns as a primary cause of the shifts. Identification of how this change varies spatially has consequences for improved land management strategies, as specific regions most vulnerable to threats can be prioritized for mitigation or adaptation as the climate warms.« less

Shifts in historical streamflow extremes in the Colorado River Basin

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

Solander, Kurt C.; Bennett, Katrina Eleanor; Middleton, Richard Stephen

The global phenomenon of climate change-induced shifts in precipitation leading to "wet regions getting wetter" and "dry regions getting drier" has been widely studied. However, the propagation of these changes in atmospheric moisture within stream channels is not a direct relationship due to differences in the timing of how changing precipitation patterns interact with various land surfaces. Streamflow is of particular interest in the Colorado River Basin (CRB) due to the region’s rapidly growing population, projected temperature increases that are expected to be higher than elsewhere in the contiguous United States, and subsequent climate-driven disturbances including drought, vegetation mortality, andmore » wildfire, which makes the region more vulnerable to changes in hydrologic extremes. Here in this study, we determine how streamflow extremes have shifted in the CRB using two statistical methods—the Mann-Kendall trend detection analysis and Generalized Extreme Value (GEV) theorem. We evaluate these changes in the context of key flow metrics that include high and low flow percentiles, maximum and minimum 7-day flows, and the center timing of streamflow using historical gage records representative of natural flows. Monthly results indicate declines of up to 41% for high and low flows during the June to July peak runoff season, while increases of up to 24% were observed earlier from March to April. Finally, our results highlight a key threshold elevation and latitude of 2300 m and 39° North, respectively, where there is a distinct shift in the trend. The spatiotemporal patterns observed are indicative of changing snowmelt patterns as a primary cause of the shifts. Identification of how this change varies spatially has consequences for improved land management strategies, as specific regions most vulnerable to threats can be prioritized for mitigation or adaptation as the climate warms.« less

Circadian variation of melatonin, light exposure, and diurnal preference in day and night shift workers of both sexes.

PubMed

Papantoniou, Kyriaki; Pozo, Oscar J; Espinosa, Ana; Marcos, Josep; Castaño-Vinyals, Gemma; Basagaña, Xavier; Ribas, Ferran Calduch; Mirabent, Joan; Martín, Jordi; Carenys, Gemma; Martín, Celia Reyes; Middleton, Benita; Skene, Debra J; Kogevinas, Manolis

2014-07-01

Light-at-night has been shown in experimental studies to disrupt melatonin production but this has only partly been confirmed in studies of night shift workers. In this cross-sectional study, we examined the circadian variation of melatonin in relation to shift status, individual levels of light-at-night exposure, and diurnal preference, an attribute reflecting personal preference for activity in the morning or evening. One hundred and seventeen workers (75 night and 42 day) of both sexes, ages 22 to 64 years, were recruited from four companies. Participants collected urine samples from all voids over 24 hours and wore a data logger continuously recording their light exposure. Sociodemographic, occupational, lifestyle, and diurnal preference information were collected by interview. Concentrations of urinary 6-sulfatoxymelatonin (aMT6s), the main melatonin metabolite, were measured. Mean aMT6s levels were lower in night [10.9 ng/mg creatinine/hour; 95% confidence interval (CI), 9.5-12.6] compared with day workers (15.4; 95% CI, 12.3-19.3). The lowest aMT6s levels were observed in night workers with morning preference (6.4; 95% CI, 3.0-13.6). Peak time of aMT6s production occurred 3 hours later in night (08:42 hour, 95% CI, 07:48-09:42) compared with day workers (05:36 hour, 95% CI, 05:06-06:12). Phase delay was stronger among subjects with higher light-at-night exposure and number of nights worked. Night shift workers had lower levels and a delay in peak time of aMT6s production over a 24-hour period. Differences were modified by diurnal preference and intensity of light-at-night exposure. Night shift work affects levels and timing of melatonin production and both parameters may relate to future cancer risk. ©2014 American Association for Cancer Research.

KiDS-450: cosmological constraints from weak-lensing peak statistics - II: Inference from shear peaks using N-body simulations

NASA Astrophysics Data System (ADS)

Martinet, Nicolas; Schneider, Peter; Hildebrandt, Hendrik; Shan, HuanYuan; Asgari, Marika; Dietrich, Jörg P.; Harnois-Déraps, Joachim; Erben, Thomas; Grado, Aniello; Heymans, Catherine; Hoekstra, Henk; Klaes, Dominik; Kuijken, Konrad; Merten, Julian; Nakajima, Reiko

2018-02-01

We study the statistics of peaks in a weak-lensing reconstructed mass map of the first 450 deg2 of the Kilo Degree Survey (KiDS-450). The map is computed with aperture masses directly applied to the shear field with an NFW-like compensated filter. We compare the peak statistics in the observations with that of simulations for various cosmologies to constrain the cosmological parameter S_8 = σ _8 √{Ω _m/0.3}, which probes the (Ωm, σ8) plane perpendicularly to its main degeneracy. We estimate S8 = 0.750 ± 0.059, using peaks in the signal-to-noise range 0 ≤ S/N ≤ 4, and accounting for various systematics, such as multiplicative shear bias, mean redshift bias, baryon feedback, intrinsic alignment, and shear-position coupling. These constraints are ˜ 25 per cent tighter than the constraints from the high significance peaks alone (3 ≤ S/N ≤ 4) which typically trace single-massive haloes. This demonstrates the gain of information from low-S/N peaks. However, we find that including S/N < 0 peaks does not add further information. Our results are in good agreement with the tomographic shear two-point correlation function measurement in KiDS-450. Combining shear peaks with non-tomographic measurements of the shear two-point correlation functions yields a ˜20 per cent improvement in the uncertainty on S8 compared to the shear two-point correlation functions alone, highlighting the great potential of peaks as a cosmological probe.

Achieving high peak capacity production for gas chromatography and comprehensive two-dimensional gas chromatography by minimizing off-column peak broadening.