Evaluation of New Reference Genes in Papaya for Accurate Transcript Normalization under Different Experimental Conditions

PubMed Central

Chen, Weixin; Chen, Jianye; Lu, Wangjin; Chen, Lei; Fu, Danwen

2012-01-01

Real-time reverse transcription PCR (RT-qPCR) is a preferred method for rapid and accurate quantification of gene expression studies. Appropriate application of RT-qPCR requires accurate normalization though the use of reference genes. As no single reference gene is universally suitable for all experiments, thus reference gene(s) validation under different experimental conditions is crucial for RT-qPCR analysis. To date, only a few studies on reference genes have been done in other plants but none in papaya. In the present work, we selected 21 candidate reference genes, and evaluated their expression stability in 246 papaya fruit samples using three algorithms, geNorm, NormFinder and RefFinder. The samples consisted of 13 sets collected under different experimental conditions, including various tissues, different storage temperatures, different cultivars, developmental stages, postharvest ripening, modified atmosphere packaging, 1-methylcyclopropene (1-MCP) treatment, hot water treatment, biotic stress and hormone treatment. Our results demonstrated that expression stability varied greatly between reference genes and that different suitable reference gene(s) or combination of reference genes for normalization should be validated according to the experimental conditions. In general, the internal reference genes EIF (Eukaryotic initiation factor 4A), TBP1 (TATA binding protein 1) and TBP2 (TATA binding protein 2) genes had a good performance under most experimental conditions, whereas the most widely present used reference genes, ACTIN (Actin 2), 18S rRNA (18S ribosomal RNA) and GAPDH (Glyceraldehyde-3-phosphate dehydrogenase) were not suitable in many experimental conditions. In addition, two commonly used programs, geNorm and Normfinder, were proved sufficient for the validation. This work provides the first systematic analysis for the selection of superior reference genes for accurate transcript normalization in papaya under different experimental conditions. PMID

Fluorescence polarization immunoassays for rapid, accurate, and sensitive determination of mycotoxins

USDA-ARS?s Scientific Manuscript database

Analytical methods for the determination of mycotoxins in foods are commonly based on chromatographic techniques (GC, HPLC or LC-MS). Although these methods permit a sensitive and accurate determination of the analyte, they require skilled personnel and are time-consuming, expensive, and unsuitable ...

Active machine learning-driven experimentation to determine compound effects on protein patterns.

PubMed

Naik, Armaghan W; Kangas, Joshua D; Sullivan, Devin P; Murphy, Robert F

2016-02-03

High throughput screening determines the effects of many conditions on a given biological target. Currently, to estimate the effects of those conditions on other targets requires either strong modeling assumptions (e.g. similarities among targets) or separate screens. Ideally, data-driven experimentation could be used to learn accurate models for many conditions and targets without doing all possible experiments. We have previously described an active machine learning algorithm that can iteratively choose small sets of experiments to learn models of multiple effects. We now show that, with no prior knowledge and with liquid handling robotics and automated microscopy under its control, this learner accurately learned the effects of 48 chemical compounds on the subcellular localization of 48 proteins while performing only 29% of all possible experiments. The results represent the first practical demonstration of the utility of active learning-driven biological experimentation in which the set of possible phenotypes is unknown in advance.

Active machine learning-driven experimentation to determine compound effects on protein patterns

PubMed Central

Naik, Armaghan W; Kangas, Joshua D; Sullivan, Devin P; Murphy, Robert F

2016-01-01

High throughput screening determines the effects of many conditions on a given biological target. Currently, to estimate the effects of those conditions on other targets requires either strong modeling assumptions (e.g. similarities among targets) or separate screens. Ideally, data-driven experimentation could be used to learn accurate models for many conditions and targets without doing all possible experiments. We have previously described an active machine learning algorithm that can iteratively choose small sets of experiments to learn models of multiple effects. We now show that, with no prior knowledge and with liquid handling robotics and automated microscopy under its control, this learner accurately learned the effects of 48 chemical compounds on the subcellular localization of 48 proteins while performing only 29% of all possible experiments. The results represent the first practical demonstration of the utility of active learning-driven biological experimentation in which the set of possible phenotypes is unknown in advance. DOI: http://dx.doi.org/10.7554/eLife.10047.001 PMID:26840049

Experimental determination of airplane mass and inertial characteristics

NASA Technical Reports Server (NTRS)

Wolowicz, C. H.; Yancey, R. B.

1974-01-01

Current practices are evaluated for experimentally determining airplane center of gravity, moments of inertia, and products of inertia. The techniques discussed are applicable to bodies other than airplanes. In pitching- and rolling-moment-of-inertia investigations with the airplane mounted on and pivoted about knife edges, the nonlinear spring moments that occur at large amplitudes of oscillation can be eliminated by using the proper spring configuration. The single-point suspension double-pendulum technique for obtaining yawing moments of inertia, products of inertia, and the inclination of the principal axis provides accurate results from yaw-mode oscillation data, provided that the sway-mode effects are minimized by proper suspension rig design. Rocking-mode effects in the data can be isolated.

Accurate and precise determination of isotopic ratios by MC-ICP-MS: a review.

PubMed

Yang, Lu

2009-01-01

For many decades the accurate and precise determination of isotope ratios has remained a very strong interest to many researchers due to its important applications in earth, environmental, biological, archeological, and medical sciences. Traditionally, thermal ionization mass spectrometry (TIMS) has been the technique of choice for achieving the highest accuracy and precision. However, recent developments in multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) have brought a new dimension to this field. In addition to its simple and robust sample introduction, high sample throughput, and high mass resolution, the flat-topped peaks generated by this technique provide for accurate and precise determination of isotope ratios with precision reaching 0.001%, comparable to that achieved with TIMS. These features, in combination with the ability of the ICP source to ionize nearly all elements in the periodic table, have resulted in an increased use of MC-ICP-MS for such measurements in various sample matrices. To determine accurate and precise isotope ratios with MC-ICP-MS, utmost care must be exercised during sample preparation, optimization of the instrument, and mass bias corrections. Unfortunately, there are inconsistencies and errors evident in many MC-ICP-MS publications, including errors in mass bias correction models. This review examines "state-of-the-art" methodologies presented in the literature for achievement of precise and accurate determinations of isotope ratios by MC-ICP-MS. Some general rules for such accurate and precise measurements are suggested, and calculations of combined uncertainty of the data using a few common mass bias correction models are outlined.

Reverse radiance: a fast accurate method for determining luminance

NASA Astrophysics Data System (ADS)

Moore, Kenneth E.; Rykowski, Ronald F.; Gangadhara, Sanjay

2012-10-01

Reverse ray tracing from a region of interest backward to the source has long been proposed as an efficient method of determining luminous flux. The idea is to trace rays only from where the final flux needs to be known back to the source, rather than tracing in the forward direction from the source outward to see where the light goes. Once the reverse ray reaches the source, the radiance the equivalent forward ray would have represented is determined and the resulting flux computed. Although reverse ray tracing is conceptually simple, the method critically depends upon an accurate source model in both the near and far field. An overly simplified source model, such as an ideal Lambertian surface substantially detracts from the accuracy and thus benefit of the method. This paper will introduce an improved method of reverse ray tracing that we call Reverse Radiance that avoids assumptions about the source properties. The new method uses measured data from a Source Imaging Goniometer (SIG) that simultaneously measures near and far field luminous data. Incorporating this data into a fast reverse ray tracing integration method yields fast, accurate data for a wide variety of illumination problems.

Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study.

PubMed

Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi; Bloino, Julien; Tasinato, Nicola; Carnimeo, Ivan; Biczysko, Malgorzata; Puzzarini, Cristina

2017-05-04

The medium-resolution gas-phase infrared (IR) spectra of 1-bromo-1-fluoroethene (BrFC═CH 2 , 1,1-C 2 H 2 BrF) were investigated in the range 300-6500 cm -1 , and the vibrational analysis led to the assignment of all fundamentals as well as many overtone and combination bands up to three quanta, thus giving an accurate description of its vibrational structure. Integrated band intensity data were determined with high precision from the measurements of their corresponding absorption cross sections. The vibrational analysis was supported by high-level ab initio investigations. CCSD(T) computations accounting for extrapolation to the complete basis set and core correlation effects were employed to accurately determine the molecular structure and harmonic force field. The latter was then coupled to B2PLYP and MP2 computations in order to account for mechanical and electrical anharmonicities. Second-order perturbative vibrational theory was then applied to the thus obtained hybrid force fields to support the experimental assignment of the IR spectra.

An instrument for rapid, accurate, determination of fuel moisture content

Treesearch

Stephen S. Sackett

1980-01-01

Moisture contents of dead and living fuels are key variables in fire behavior. Accurate, real-time fuel moisture data are required for prescribed burning and wildfire behavior predictions. The convection oven method has become the standard for direct fuel moisture content determination. Efforts to quantify fuel moisture through indirect methods have not been...

Proton dissociation properties of arylphosphonates: Determination of accurate Hammett equation parameters.

PubMed

Dargó, Gergő; Bölcskei, Adrienn; Grün, Alajos; Béni, Szabolcs; Szántó, Zoltán; Lopata, Antal; Keglevich, György; Balogh, György T

2017-09-05

Determination of the proton dissociation constants of several arylphosphonic acid derivatives was carried out to investigate the accuracy of the Hammett equations available for this family of compounds. For the measurement of the pK a values modern, accurate methods, such as the differential potentiometric titration and NMR-pH titration were used. We found our results significantly different from the pK a values reported before (pK a1 : MAE = 0.16 pK a2 : MAE=0.59). Based on our recently measured pK a values, refined Hammett equations were determined that might be used for predicting highly accurate ionization constants of newly synthesized compounds (pK a1 =1.70-0.894σ, pK a2 =6.92-0.934σ). Copyright © 2017 Elsevier B.V. All rights reserved.

Accurate Drift Time Determination by Traveling Wave Ion Mobility Spectrometry: The Concept of the Diffusion Calibration.

PubMed

Kune, Christopher; Far, Johann; De Pauw, Edwin

2016-12-06

Ion mobility spectrometry (IMS) is a gas phase separation technique, which relies on differences in collision cross section (CCS) of ions. Ionic clouds of unresolved conformers overlap if the CCS difference is below the instrumental resolution expressed as CCS/ΔCCS. The experimental arrival time distribution (ATD) peak is then a superimposition of the various contributions weighted by their relative intensities. This paper introduces a strategy for accurate drift time determination using traveling wave ion mobility spectrometry (TWIMS) of poorly resolved or unresolved conformers. This method implements through a calibration procedure the link between the peak full width at half-maximum (fwhm) and the drift time of model compounds for wide range of settings for wave heights and velocities. We modified a Gaussian equation, which achieves the deconvolution of ATD peaks where the fwhm is fixed according to our calibration procedure. The new fitting Gaussian equation only depends on two parameters: The apex of the peak (A) and the mean drift time value (μ). The standard deviation parameter (correlated to fwhm) becomes a function of the drift time. This correlation function between μ and fwhm is obtained using the TWIMS calibration procedure which determines the maximum instrumental ion beam diffusion under limited and controlled space charge effect using ionic compounds which are detected as single conformers in the gas phase. This deconvolution process has been used to highlight the presence of poorly resolved conformers of crown ether complexes and peptides leading to more accurate CCS determinations in better agreement with quantum chemistry predictions.

A simple and inclusive method to determine the habit plane in transmission electron microscope based on accurate measurement of foil thickness

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

Qiu, Dong, E-mail: d.qiu@uq.edu.au; Zhang, Mingxing

2014-08-15

A simple and inclusive method is proposed for accurate determination of the habit plane between bicrystals in transmission electron microscope. Whilst this method can be regarded as a variant of surface trace analysis, the major innovation lies in the improved accuracy and efficiency of foil thickness measurement, which involves a simple tilt of the thin foil about a permanent tilting axis of the specimen holder, rather than cumbersome tilt about the surface trace of the habit plane. Experimental study has been done to validate this proposed method in determining the habit plane between lamellar α{sub 2} plates and γ matrixmore » in a Ti–Al–Nb alloy. Both high accuracy (± 1°) and high precision (± 1°) have been achieved by using the new method. The source of the experimental errors as well as the applicability of this method is discussed. Some tips to minimise the experimental errors are also suggested. - Highlights: • An improved algorithm is formulated to measure the foil thickness. • Habit plane can be determined with a single tilt holder based on the new algorithm. • Better accuracy and precision within ± 1° are achievable using the proposed method. • The data for multi-facet determination can be collected simultaneously.« less

Antioxidant Capacity: Experimental Determination by EPR Spectroscopy and Mathematical Modeling.

PubMed

Polak, Justyna; Bartoszek, Mariola; Chorążewski, Mirosław

2015-07-22

A new method of determining antioxidant capacity based on a mathematical model is presented in this paper. The model was fitted to 1000 data points of electron paramagnetic resonance (EPR) spectroscopy measurements of various food product samples such as tea, wine, juice, and herbs with Trolox equivalent antioxidant capacity (TEAC) values from 20 to 2000 μmol TE/100 mL. The proposed mathematical equation allows for a determination of TEAC of food products based on a single EPR spectroscopy measurement. The model was tested on the basis of 80 EPR spectroscopy measurements of herbs, tea, coffee, and juice samples. The proposed model works for both strong and weak antioxidants (TEAC values from 21 to 2347 μmol TE/100 mL). The determination coefficient between TEAC values obtained experimentally and TEAC values calculated with proposed mathematical equation was found to be R(2) = 0.98. Therefore, the proposed new method of TEAC determination based on a mathematical model is a good alternative to the standard EPR method due to its being fast, accurate, inexpensive, and simple to perform.

Accurate orbit determination strategies for the tracking and data relay satellites

NASA Technical Reports Server (NTRS)

Oza, D. H.; Bolvin, D. T.; Lorah, J. M.; Lee, T.; Doll, C. E.

1995-01-01

The National Aeronautics and Space Administration (NASA) has developed the Tracking and Data Relay Satellite (TDRS) System (TDRSS) for tracking and communications support of low Earth-orbiting satellites. TDRSS has the operational capability of providing 85% coverage for TDRSS-user spacecraft. TDRSS currently consists of five geosynchronous spacecraft and the White Sands Complex (WSC) at White Sands, New Mexico. The Bilateration Ranging Transponder System (BRTS) provides range and Doppler measurements for each TDRS. The ground-based BRTS transponders are tracked as if they were TDRSS-user spacecraft. Since the positions of the BRTS transponders are known, their radiometric tracking measurements can be used to provide a well-determined ephemeris for the TDRS spacecraft. For high-accuracy orbit determination of a TDRSS user, such as the Ocean Topography Experiment (TOPEX)/Poseidon spacecraft, high-accuracy TDRS orbits are required. This paper reports on successive refinements in improved techniques and procedures leading to more accurate TDRS orbit determination strategies using the Goddard Trajectory Determination System (GTDS). These strategies range from the standard operational solution using only the BRTS tracking measurements to a sophisticated iterative process involving several successive simultaneous solutions for multiple TDRSs and a TDRSS-user spacecraft. Results are presented for GTDS-generated TDRS ephemerides produced in simultaneous solutions with the TOPEX/Poseidon spacecraft. Strategies with different user spacecraft, as well as schemes for recovering accurate TDRS orbits following a TDRS maneuver, are also presented. In addition, a comprehensive assessment and evaluation of alternative strategies for TDRS orbit determination, excluding BRTS tracking measurements, are presented.

Accurate Rapid Lifetime Determination on Time-Gated FLIM Microscopy with Optical Sectioning

PubMed Central

Silva, Susana F.; Domingues, José Paulo

2018-01-01

Time-gated fluorescence lifetime imaging microscopy (FLIM) is a powerful technique to assess the biochemistry of cells and tissues. When applied to living thick samples, it is hampered by the lack of optical sectioning and the need of acquiring many images for an accurate measurement of fluorescence lifetimes. Here, we report on the use of processing techniques to overcome these limitations, minimizing the acquisition time, while providing optical sectioning. We evaluated the application of the HiLo and the rapid lifetime determination (RLD) techniques for accurate measurement of fluorescence lifetimes with optical sectioning. HiLo provides optical sectioning by combining the high-frequency content from a standard image, obtained with uniform illumination, with the low-frequency content of a second image, acquired using structured illumination. Our results show that HiLo produces optical sectioning on thick samples without degrading the accuracy of the measured lifetimes. We also show that instrument response function (IRF) deconvolution can be applied with the RLD technique on HiLo images, improving greatly the accuracy of the measured lifetimes. These results open the possibility of using the RLD technique with pulsed diode laser sources to determine accurately fluorescence lifetimes in the subnanosecond range on thick multilayer samples, providing that offline processing is allowed. PMID:29599938

Accurate Rapid Lifetime Determination on Time-Gated FLIM Microscopy with Optical Sectioning.

PubMed

Silva, Susana F; Domingues, José Paulo; Morgado, António Miguel

2018-01-01

Time-gated fluorescence lifetime imaging microscopy (FLIM) is a powerful technique to assess the biochemistry of cells and tissues. When applied to living thick samples, it is hampered by the lack of optical sectioning and the need of acquiring many images for an accurate measurement of fluorescence lifetimes. Here, we report on the use of processing techniques to overcome these limitations, minimizing the acquisition time, while providing optical sectioning. We evaluated the application of the HiLo and the rapid lifetime determination (RLD) techniques for accurate measurement of fluorescence lifetimes with optical sectioning. HiLo provides optical sectioning by combining the high-frequency content from a standard image, obtained with uniform illumination, with the low-frequency content of a second image, acquired using structured illumination. Our results show that HiLo produces optical sectioning on thick samples without degrading the accuracy of the measured lifetimes. We also show that instrument response function (IRF) deconvolution can be applied with the RLD technique on HiLo images, improving greatly the accuracy of the measured lifetimes. These results open the possibility of using the RLD technique with pulsed diode laser sources to determine accurately fluorescence lifetimes in the subnanosecond range on thick multilayer samples, providing that offline processing is allowed.

Protocol to determine accurate absorption coefficients for iron containing transferrins

PubMed Central

James, Nicholas G.; Mason, Anne B.

2008-01-01

An accurate protein concentration is an essential component of most biochemical experiments. The simplest method to determine a protein concentration is by measuring the A280, using an absorption coefficient (ε), and applying the Beer-Lambert law. For some metalloproteins (including all transferrin family members) difficulties arise because metal binding contributes to the A280 in a non-linear manner. The Edelhoch method is based on the assumption that the ε of a denatured protein in 6 M guanidine-HCl can be calculated from the number of the tryptophan, tyrosine, and cystine residues. We extend this method to derive ε values for both apo- and iron-bound transferrins. The absorbance of an identical amount of iron containing protein is measured in: 1) 6 M guanidine-HCl (denatured, no iron); 2) pH 7.4 buffer (non-denatured with iron); and 3) pH 5.6 (or lower) buffer with a chelator (non-denatured without iron). Since the iron free apo-protein has an identical A280 under non-denaturing conditions, the difference between the reading at pH 7.4 and the lower pH directly reports the contribution of the iron. The method is fast and consumes ~1 mg of sample. The ability to determine accurate ε values for transferrin mutants that bind iron with a wide range of affinities has proven very useful; furthermore a similar approach could easily be followed to determine ε values for other metalloproteins in which metal binding contributes to the A280. PMID:18471984

Method for accurate determination of dissociation constants of optical ratiometric systems: chemical probes, genetically encoded sensors, and interacting molecules.

PubMed

Pomorski, Adam; Kochańczyk, Tomasz; Miłoch, Anna; Krężel, Artur

2013-12-03

Ratiometric chemical probes and genetically encoded sensors are of high interest for both analytical chemists and molecular biologists. Their high sensitivity toward the target ligand and ability to obtain quantitative results without a known sensor concentration have made them a very useful tool in both in vitro and in vivo assays. Although ratiometric sensors are widely used in many applications, their successful and accurate usage depends on how they are characterized in terms of sensing target molecules. The most important feature of probes and sensors besides their optical parameters is an affinity constant toward analyzed molecules. The literature shows that different analytical approaches are used to determine the stability constants, with the ratio approach being most popular. However, oversimplification and lack of attention to detail results in inaccurate determination of stability constants, which in turn affects the results obtained using these sensors. Here, we present a new method where ratio signal is calibrated for borderline values of intensities of both wavelengths, instead of borderline ratio values that generate errors in many studies. At the same time, the equation takes into account the cooperativity factor or fluorescence artifacts and therefore can be used to characterize systems with various stoichiometries and experimental conditions. Accurate determination of stability constants is demonstrated utilizing four known optical ratiometric probes and sensors, together with a discussion regarding other, currently used methods.

Comparison of experimental and calculated chiroptical spectra for chiral molecular structure determination.

PubMed

Polavarapu, Prasad L; Covington, Cody L

2014-09-01

For three different chiroptical spectroscopic methods, namely, vibrational circular dichroism (VCD), electronic circular dichroism (ECD), and Raman optical activity (ROA), the measures of similarity of the experimental spectra to the corresponding spectra predicted using quantum chemical theories are summarized. In determining the absolute configuration and/or predominant conformations of chiral molecules, these similarity measures provide numerical estimates of agreement between experimental observations and theoretical predictions. Selected applications illustrating the similarity measures for absorption, circular dichroism, and corresponding dissymmetry factor (DF) spectra, in the case of VCD and ECD, and for Raman, ROA, and circular intensity differential (CID) spectra in the case of ROA, are presented. The analysis of similarity in DF or CID spectra is considered to be much more discerning and accurate than that in absorption (or Raman) and circular dichroism (or ROA) spectra, undertaken individually. © 2014 Wiley Periodicals, Inc.

Accurate age determinations of several nearby open clusters containing magnetic Ap stars

NASA Astrophysics Data System (ADS)

Silaj, J.; Landstreet, J. D.

2014-06-01

Context. To study the time evolution of magnetic fields, chemical abundance peculiarities, and other characteristics of magnetic Ap and Bp stars during their main sequence lives, a sample of these stars in open clusters has been obtained, as such stars can be assumed to have the same ages as the clusters to which they belong. However, in exploring age determinations in the literature, we find a large dispersion among different age determinations, even for bright, nearby clusters. Aims: Our aim is to obtain ages that are as accurate as possible for the seven nearby open clusters α Per, Coma Ber, IC 2602, NGC 2232, NGC 2451A, NGC 2516, and NGC 6475, each of which contains at least one magnetic Ap or Bp star. Simultaneously, we test the current calibrations of Te and luminosity for the Ap/Bp star members, and identify clearly blue stragglers in the clusters studied. Methods: We explore the possibility that isochrone fitting in the theoretical Hertzsprung-Russell diagram (i.e. log (L/L⊙) vs. log Te), rather than in the conventional colour-magnitude diagram, can provide more precise and accurate cluster ages, with well-defined uncertainties. Results: Well-defined ages are found for all the clusters studied. For the nearby clusters studied, the derived ages are not very sensitive to the small uncertainties in distance, reddening, membership, metallicity, or choice of isochrones. Our age determinations are all within the range of previously determined values, but the associated uncertainties are considerably smaller than the spread in recent age determinations from the literature. Furthermore, examination of proper motions and HR diagrams confirms that the Ap stars identified in these clusters are members, and that the presently accepted temperature scale and bolometric corrections for Ap stars are approximately correct. We show that in these theoretical HR diagrams blue stragglers are particularly easy to identify. Conclusions: Constructing the theoretical HR diagram

Accurate determination of the valence band edge in hard x-ray photoemission spectra using GW theory

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

Lischner, Johannes, E-mail: jlischner597@gmail.com; Department of Physics and Department of Materials and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ; Nemšák, Slavomír

We introduce a new method for determining accurate values of the valence-band maximum in x-ray photoemission spectra. Specifically, we align the sharpest peak in the valence-band region of the experimental spectrum with the corresponding feature of a theoretical valence-band density of states curve from ab initio GW theory calculations. This method is particularly useful for soft and hard x-ray photoemission studies of materials with a mixture of valence-band characters, where strong matrix element effects can render standard methods for extracting the valence-band maximum unreliable. We apply our method to hydrogen-terminated boron-doped diamond, which is a promising substrate material for novelmore » solar cell devices. By carrying out photoemission experiments with variable light polarizations, we verify the accuracy of our analysis and the general validity of the method.« less

An accurate and efficient experimental approach for characterization of the complex oral microbiota.

PubMed

Zheng, Wei; Tsompana, Maria; Ruscitto, Angela; Sharma, Ashu; Genco, Robert; Sun, Yijun; Buck, Michael J

2015-10-05

Currently, taxonomic interrogation of microbiota is based on amplification of 16S rRNA gene sequences in clinical and scientific settings. Accurate evaluation of the microbiota depends heavily on the primers used, and genus/species resolution bias can arise with amplification of non-representative genomic regions. The latest Illumina MiSeq sequencing chemistry has extended the read length to 300 bp, enabling deep profiling of large number of samples in a single paired-end reaction at a fraction of the cost. An increasingly large number of researchers have adopted this technology for various microbiome studies targeting the 16S rRNA V3-V4 hypervariable region. To expand the applicability of this powerful platform for further descriptive and functional microbiome studies, we standardized and tested an efficient, reliable, and straightforward workflow for the amplification, library construction, and sequencing of the 16S V1-V3 hypervariable region using the new 2 × 300 MiSeq platform. Our analysis involved 11 subgingival plaque samples from diabetic and non-diabetic human subjects suffering from periodontitis. The efficiency and reliability of our experimental protocol was compared to 16S V3-V4 sequencing data from the same samples. Comparisons were based on measures of observed taxonomic richness and species evenness, along with Procrustes analyses using beta(β)-diversity distance metrics. As an experimental control, we also analyzed a total of eight technical replicates for the V1-V3 and V3-V4 regions from a synthetic community with known bacterial species operon counts. We show that our experimental protocol accurately measures true bacterial community composition. Procrustes analyses based on unweighted UniFrac β-diversity metrics depicted significant correlation between oral bacterial composition for the V1-V3 and V3-V4 regions. However, measures of phylotype richness were higher for the V1-V3 region, suggesting that V1-V3 offers a deeper assessment of

Determination of doping peptides via solid-phase microelution and accurate-mass quadrupole time-of-flight LC-MS.

PubMed

Cuervo, Darío; Loli, Cynthia; Fernández-Álvarez, María; Muñoz, Gloria; Carreras, Daniel

2017-10-15

A complete analytical protocol for the determination of 25 doping-related peptidic drugs and 3 metabolites in urine was developed by means of accurate-mass quadrupole time-of-flight (Q-TOF) LC-MS analysis following solid-phase extraction (SPE) on microplates and conventional SPE pre-treatment for initial testing and confirmation, respectively. These substances included growth hormone releasing factors, gonadotropin releasing factors and anti-diuretic hormones, with molecular weights ranging from 540 to 1320Da. Optimal experimental conditions were stablished after investigation of different parameters concerning sample preparation and instrumental analysis. Weak cation exchange SPE followed by C18 HPLC chromatography and accurate mass detection provided the required sensitivity and selectivity for all the target peptides under study. 2mg SPE on 96-well microplates can be used in combination with full scan MS detection for the initial testing, thus providing a fast, cost-effective and high-throughput protocol for the processing of a large batch of samples simultaneously. On the other hand, extraction on 30mg SPE cartridges and subsequent target MS/MS determination was the protocol of choice for confirmatory purposes. The methodology was validated in terms of selectivity, recovery, matrix effect, precision, sensitivity (limit of detection, LOD), cross contamination, carryover, robustness and stability. Recoveries ranged from 6 to 70% (microplates) and 17-95% (cartridges), with LODs from 0.1 to 1ng/mL. The suitability of the method was assessed by analyzing different spiked or excreted urines containing some of the target substances. Copyright © 2017 Elsevier B.V. All rights reserved.

Delay Discounting of Self-Determined and Experimenter-Determined Commodities

ERIC Educational Resources Information Center

Weatherly, Jeffrey N.; Gudding, Jennifer; Derenne, Adam

2010-01-01

Research suggests that individuals prefer self-determined reinforcers over experimenter-determined ones. The present study had 518 college students complete a delay-discounting task in which the commodity was cigarettes, a grocery store gift card, casino tokens, cash, or the choice of the four. The least amount of delay discounting was observed…

Diagnostic methodology is critical for accurately determining the prevalence of ichthyophonus infections in wild fish populations

USGS Publications Warehouse

Kocan, R.; Dolan, H.; Hershberger, P.

2011-01-01

Several different techniques have been employed to detect and identify Ichthyophonus spp. in infected fish hosts; these include macroscopic observation, microscopic examination of tissue squashes, histological evaluation, in vitro culture, and molecular techniques. Examination of the peer-reviewed literature revealed that when more than 1 diagnostic method is used, they often result in significantly different results; for example, when in vitro culture was used to identify infected trout in an experimentally exposed population, 98.7% of infected trout were detected, but when standard histology was used to confirm known infected tissues from wild salmon, it detected ~50% of low-intensity infections and ~85% of high-intensity infections. Other studies on different species reported similar differences. When we examined a possible mechanism to explain the disparity between different diagnostic techniques, we observed non-random distribution of the parasite in 3-dimensionally visualized tissue sections from infected hosts, thus providing a possible explanation for the different sensitivities of commonly used diagnostic techniques. Based on experimental evidence and a review of the peer-reviewed literature, we have concluded that in vitro culture is currently the most accurate diagnostic technique for determining infection prevalence of Ichthyophonus, particularly when the exposure history of the population is not known.

On canonical cylinder sections for accurate determination of contact angle in microgravity

NASA Technical Reports Server (NTRS)

Concus, Paul; Finn, Robert; Zabihi, Farhad

1992-01-01

Large shifts of liquid arising from small changes in certain container shapes in zero gravity can be used as a basis for accurately determining contact angle. Canonical geometries for this purpose, recently developed mathematically, are investigated here computationally. It is found that the desired nearly-discontinuous behavior can be obtained and that the shifts of liquid have sufficient volume to be readily observed.

In situ accurate determination of the zero time delay between two independent ultrashort laser pulses by observing the oscillation of an atomic excited wave packet.

PubMed

Zhang, Qun; Hepburn, John W

2008-08-15

We propose a novel method that uses the oscillation of an atomic excited wave packet observed through a pump-probe technique to accurately determine the zero time delay between a pair of ultrashort laser pulses. This physically based approach provides an easy fix for the intractable problem of synchronizing two different femtosecond laser pulses in a practical experimental environment, especially where an in situ time zero measurement with high accuracy is required.

Kinetic determinations of accurate relative oxidation potentials of amines with reactive radical cations.

PubMed

Gould, Ian R; Wosinska, Zofia M; Farid, Samir

2006-01-01

Accurate oxidation potentials for organic compounds are critical for the evaluation of thermodynamic and kinetic properties of their radical cations. Except when using a specialized apparatus, electrochemical oxidation of molecules with reactive radical cations is usually an irreversible process, providing peak potentials, E(p), rather than thermodynamically meaningful oxidation potentials, E(ox). In a previous study on amines with radical cations that underwent rapid decarboxylation, we estimated E(ox) by correcting the E(p) from cyclic voltammetry with rate constants for decarboxylation obtained using laser flash photolysis. Here we use redox equilibration experiments to determine accurate relative oxidation potentials for the same amines. We also describe an extension of these experiments to show how relative oxidation potentials can be obtained in the absence of equilibrium, from a complete kinetic analysis of the reversible redox kinetics. The results provide support for the previous cyclic voltammetry/laser flash photolysis method for determining oxidation potentials.

Accurate determination of interfacial protein secondary structure by combining interfacial-sensitive amide I and amide III spectral signals.

PubMed

Ye, Shuji; Li, Hongchun; Yang, Weilai; Luo, Yi

2014-01-29

Accurate determination of protein structures at the interface is essential to understand the nature of interfacial protein interactions, but it can only be done with a few, very limited experimental methods. Here, we demonstrate for the first time that sum frequency generation vibrational spectroscopy can unambiguously differentiate the interfacial protein secondary structures by combining surface-sensitive amide I and amide III spectral signals. This combination offers a powerful tool to directly distinguish random-coil (disordered) and α-helical structures in proteins. From a systematic study on the interactions between several antimicrobial peptides (including LKα14, mastoparan X, cecropin P1, melittin, and pardaxin) and lipid bilayers, it is found that the spectral profiles of the random-coil and α-helical structures are well separated in the amide III spectra, appearing below and above 1260 cm(-1), respectively. For the peptides with a straight backbone chain, the strength ratio for the peaks of the random-coil and α-helical structures shows a distinct linear relationship with the fraction of the disordered structure deduced from independent NMR experiments reported in the literature. It is revealed that increasing the fraction of negatively charged lipids can induce a conformational change of pardaxin from random-coil to α-helical structures. This experimental protocol can be employed for determining the interfacial protein secondary structures and dynamics in situ and in real time without extraneous labels.

Accurate attitude determination of the LACE satellite

NASA Technical Reports Server (NTRS)

Miglin, M. F.; Campion, R. E.; Lemos, P. J.; Tran, T.

1993-01-01

The Low-power Atmospheric Compensation Experiment (LACE) satellite, launched in February 1990 by the Naval Research Laboratory, uses a magnetic damper on a gravity gradient boom and a momentum wheel with its axis perpendicular to the plane of the orbit to stabilize and maintain its attitude. Satellite attitude is determined using three types of sensors: a conical Earth scanner, a set of sun sensors, and a magnetometer. The Ultraviolet Plume Instrument (UVPI), on board LACE, consists of two intensified CCD cameras and a gimbal led pointing mirror. The primary purpose of the UVPI is to image rocket plumes from space in the ultraviolet and visible wavelengths. Secondary objectives include imaging stars, atmospheric phenomena, and ground targets. The problem facing the UVPI experimenters is that the sensitivity of the LACF satellite attitude sensors is not always adequate to correctly point the UVPI cameras. Our solution is to point the UVPI cameras at known targets and use the information thus gained to improve attitude measurements. This paper describes the three methods developed to determine improved attitude values using the UVPI for both real-time operations and post observation analysis.

Experimental determination of heat transfer coefficients in roll bite and air cooling for computer simulations of 1100 MPa carbon steel rolling

NASA Astrophysics Data System (ADS)

Leinonen, Olli; Ilmola, Joonas; Seppälä, Oskari; Pohjonen, Aarne; Paavola, Jussi; Koskenniska, Sami; Larkiola, Jari

2018-05-01

In modeling of hot rolling pass schedules the heat transfer phenomena have to be known. Radiation to ambient, between rolls and a steel slab as well as heat transfer in contacts must be considered to achieve accurate temperature distribution and thereby accurate material behavior in simulations. Additional heat is generated by friction between the slab and the work roll and by plastic deformation. These phenomena must be taken into account when the effective heat transfer coefficient is determined from experimental data. In this paper we determine the effective heat transfer coefficient at the contact interface and emissivity factor of slab surface for 1100MPa strength carbon steel for hot rolling simulations. Experimental pilot rolling test were carried out and slab temperatures gathered right below the interface and at the mid thickness of the slab. Emissivity factor tests were carried out in the same manner but without rolling. Experimental data is utilized to derive contact heat transfer coefficient at the interface and emissivity factor of slab surface. Pilot rolling test is reproduced in FE-analysis to further refine the heat transfer coefficient and emissivity factor. Material mechanical properties at rolling temperatures were determined by Gleeble™ thermo-mechanical simulator and IDS thermodynamic-kinetic-empirical software.

Significance of accurate diffraction corrections for the second harmonic wave in determining the acoustic nonlinearity parameter

NASA Astrophysics Data System (ADS)

Jeong, Hyunjo; Zhang, Shuzeng; Barnard, Dan; Li, Xiongbing

2015-09-01

The accurate measurement of acoustic nonlinearity parameter β for fluids or solids generally requires making corrections for diffraction effects due to finite size geometry of transmitter and receiver. These effects are well known in linear acoustics, while those for second harmonic waves have not been well addressed and therefore not properly considered in previous studies. In this work, we explicitly define the attenuation and diffraction corrections using the multi-Gaussian beam (MGB) equations which were developed from the quasilinear solutions of the KZK equation. The effects of making these corrections are examined through the simulation of β determination in water. Diffraction corrections are found to have more significant effects than attenuation corrections, and the β values of water can be estimated experimentally with less than 5% errors when the exact second harmonic diffraction corrections are used together with the negligible attenuation correction effects on the basis of linear frequency dependence between attenuation coefficients, α2 ≃ 2α1.

OSM-Classic : An optical imaging technique for accurately determining strain

NASA Astrophysics Data System (ADS)

Aldrich, Daniel R.; Ayranci, Cagri; Nobes, David S.

OSM-Classic is a program designed in MATLAB® to provide a method of accurately determining strain in a test sample using an optical imaging technique. Measuring strain for the mechanical characterization of materials is most commonly performed with extensometers, LVDT (linear variable differential transistors), and strain gauges; however, these strain measurement methods suffer from their fragile nature and it is not particularly easy to attach these devices to the material for testing. To alleviate these potential problems, an optical approach that does not require contact with the specimen can be implemented to measure the strain. OSM-Classic is a software that interrogates a series of images to determine elongation in a test sample and hence, strain of the specimen. It was designed to provide a graphical user interface that includes image processing with a dynamic region of interest. Additionally, the stain is calculated directly while providing active feedback during the processing.

Accurate determination of segmented X-ray detector geometry

PubMed Central

Yefanov, Oleksandr; Mariani, Valerio; Gati, Cornelius; White, Thomas A.; Chapman, Henry N.; Barty, Anton

2015-01-01

Recent advances in X-ray detector technology have resulted in the introduction of segmented detectors composed of many small detector modules tiled together to cover a large detection area. Due to mechanical tolerances and the desire to be able to change the module layout to suit the needs of different experiments, the pixels on each module might not align perfectly on a regular grid. Several detectors are designed to permit detector sub-regions (or modules) to be moved relative to each other for different experiments. Accurate determination of the location of detector elements relative to the beam-sample interaction point is critical for many types of experiment, including X-ray crystallography, coherent diffractive imaging (CDI), small angle X-ray scattering (SAXS) and spectroscopy. For detectors with moveable modules, the relative positions of pixels are no longer fixed, necessitating the development of a simple procedure to calibrate detector geometry after reconfiguration. We describe a simple and robust method for determining the geometry of segmented X-ray detectors using measurements obtained by serial crystallography. By comparing the location of observed Bragg peaks to the spot locations predicted from the crystal indexing procedure, the position, rotation and distance of each module relative to the interaction region can be refined. We show that the refined detector geometry greatly improves the results of experiments. PMID:26561117

Accurate determination of segmented X-ray detector geometry

DOE PAGES

Yefanov, Oleksandr; Mariani, Valerio; Gati, Cornelius; ...

2015-10-22

Recent advances in X-ray detector technology have resulted in the introduction of segmented detectors composed of many small detector modules tiled together to cover a large detection area. Due to mechanical tolerances and the desire to be able to change the module layout to suit the needs of different experiments, the pixels on each module might not align perfectly on a regular grid. Several detectors are designed to permit detector sub-regions (or modules) to be moved relative to each other for different experiments. Accurate determination of the location of detector elements relative to the beam-sample interaction point is critical formore » many types of experiment, including X-ray crystallography, coherent diffractive imaging (CDI), small angle X-ray scattering (SAXS) and spectroscopy. For detectors with moveable modules, the relative positions of pixels are no longer fixed, necessitating the development of a simple procedure to calibrate detector geometry after reconfiguration. We describe a simple and robust method for determining the geometry of segmented X-ray detectors using measurements obtained by serial crystallography. By comparing the location of observed Bragg peaks to the spot locations predicted from the crystal indexing procedure, the position, rotation and distance of each module relative to the interaction region can be refined. Furthermore, we show that the refined detector geometry greatly improves the results of experiments.« less

Experimental Influences in the Accurate Measurement of Cartilage Thickness in MRI.

PubMed

Wang, Nian; Badar, Farid; Xia, Yang

2018-01-01

Objective To study the experimental influences to the measurement of cartilage thickness by magnetic resonance imaging (MRI). Design The complete thicknesses of healthy and trypsin-degraded cartilage were measured at high-resolution MRI under different conditions, using two intensity-based imaging sequences (ultra-short echo [UTE] and multislice-multiecho [MSME]) and 3 quantitative relaxation imaging sequences (T 1 , T 2 , and T 1 ρ). Other variables included different orientations in the magnet, 2 soaking solutions (saline and phosphate buffered saline [PBS]), and external loading. Results With cartilage soaked in saline, UTE and T 1 methods yielded complete and consistent measurement of cartilage thickness, while the thickness measurement by T 2 , T 1 ρ, and MSME methods were orientation dependent. The effect of external loading on cartilage thickness is also sequence and orientation dependent. All variations in cartilage thickness in MRI could be eliminated with the use of a 100 mM PBS or imaged by UTE sequence. Conclusions The appearance of articular cartilage and the measurement accuracy of cartilage thickness in MRI can be influenced by a number of experimental factors in ex vivo MRI, from the use of various pulse sequences and soaking solutions to the health of the tissue. T 2 -based imaging sequence, both proton-intensity sequence and quantitative relaxation sequence, similarly produced the largest variations. With adequate resolution, the accurate measurement of whole cartilage tissue in clinical MRI could be utilized to detect differences between healthy and osteoarthritic cartilage after compression.

On accurate determination of contact angle

NASA Technical Reports Server (NTRS)

Concus, P.; Finn, R.

1992-01-01

Methods are proposed that exploit a microgravity environment to obtain highly accurate measurement of contact angle. These methods, which are based on our earlier mathematical results, do not require detailed measurement of a liquid free-surface, as they incorporate discontinuous or nearly-discontinuous behavior of the liquid bulk in certain container geometries. Physical testing is planned in the forthcoming IML-2 space flight and in related preparatory ground-based experiments.

Accurate bulk density determination of irregularly shaped translucent and opaque aerogels

NASA Astrophysics Data System (ADS)

Petkov, M. P.; Jones, S. M.

2016-05-01

We present a volumetric method for accurate determination of bulk density of aerogels, calculated from extrapolated weight of the dry pure solid and volume estimates based on the Archimedes' principle of volume displacement, using packed 100 μm-sized monodispersed glass spheres as a "quasi-fluid" media. Hard particle packing theory is invoked to demonstrate the reproducibility of the apparent density of the quasi-fluid. Accuracy rivaling that of the refractive index method is demonstrated for both translucent and opaque aerogels with different absorptive properties, as well as for aerogels with regular and irregular shapes.

Correlative imaging across microscopy platforms using the fast and accurate relocation of microscopic experimental regions (FARMER) method

NASA Astrophysics Data System (ADS)

Huynh, Toan; Daddysman, Matthew K.; Bao, Ying; Selewa, Alan; Kuznetsov, Andrey; Philipson, Louis H.; Scherer, Norbert F.

2017-05-01

Imaging specific regions of interest (ROIs) of nanomaterials or biological samples with different imaging modalities (e.g., light and electron microscopy) or at subsequent time points (e.g., before and after off-microscope procedures) requires relocating the ROIs. Unfortunately, relocation is typically difficult and very time consuming to achieve. Previously developed techniques involve the fabrication of arrays of features, the procedures for which are complex, and the added features can interfere with imaging the ROIs. We report the Fast and Accurate Relocation of Microscopic Experimental Regions (FARMER) method, which only requires determining the coordinates of 3 (or more) conspicuous reference points (REFs) and employs an algorithm based on geometric operators to relocate ROIs in subsequent imaging sessions. The 3 REFs can be quickly added to various regions of a sample using simple tools (e.g., permanent markers or conductive pens) and do not interfere with the ROIs. The coordinates of the REFs and the ROIs are obtained in the first imaging session (on a particular microscope platform) using an accurate and precise encoded motorized stage. In subsequent imaging sessions, the FARMER algorithm finds the new coordinates of the ROIs (on the same or different platforms), using the coordinates of the manually located REFs and the previously recorded coordinates. FARMER is convenient, fast (3-15 min/session, at least 10-fold faster than manual searches), accurate (4.4 μm average error on a microscope with a 100x objective), and precise (almost all errors are <8 μm), even with deliberate rotating and tilting of the sample well beyond normal repositioning accuracy. We demonstrate this versatility by imaging and re-imaging a diverse set of samples and imaging methods: live mammalian cells at different time points; fixed bacterial cells on two microscopes with different imaging modalities; and nanostructures on optical and electron microscopes. FARMER can be readily

Accurately determining log and bark volumes of saw logs using high-resolution laser scan data

Treesearch

R. Edward Thomas; Neal D. Bennett

2014-01-01

Accurately determining the volume of logs and bark is crucial to estimating the total expected value recovery from a log. Knowing the correct size and volume of a log helps to determine which processing method, if any, should be used on a given log. However, applying volume estimation methods consistently can be difficult. Errors in log measurement and oddly shaped...

Accurate determination of aldehydes in amine catalysts or amines by 2,4-dinitrophenylhydrazine derivatization.

PubMed

Barman, Bhajendra N

2014-01-31

Carbonyl compounds, specifically aldehydes, present in amine catalysts or amines are determined by reversed-phase liquid chromatography using ultraviolet detection of their corresponding 2,4-dinitrophenylhydrazones. The primary focus has been to establish optimum conditions for determining aldehydes accurately because these add exposure concerns when the amine catalysts are used to manufacture polyurethane products. Concentrations of aldehydes determined by this method are found to vary with the pH of the aqueous amine solution and the derivatization time, the latter being problematic when the derivatization reaction proceeds slowly and not to completion in neutral and basic media. Accurate determination of aldehydes in amines through derivatization can be carried out at an effective solution pH of about 2 and with derivatization time of 20min. Hydrochloric acid has been used for neutralization of an amine. For complete derivatization, it is essential to protonate all nitrogen atoms in the amine. An approach for the determination of an adequate amount of acid needed for complete derivatization has been described. Several 0.2M buffer solutions varying in pH from 4 to 8 have also been used to make amine solutions for carrying out derivatization of aldehydes. These solutions have effective pHs of 10 or higher and provide much lower aldehyde concentrations compared to their true values. Mechanisms for the formation of 2,4-dinitrophenylhydrazones in both acidic and basic media are discussed. Copyright © 2014 Elsevier B.V. All rights reserved.

Accurate lithography simulation model based on convolutional neural networks

NASA Astrophysics Data System (ADS)

Watanabe, Yuki; Kimura, Taiki; Matsunawa, Tetsuaki; Nojima, Shigeki

2017-07-01

Lithography simulation is an essential technique for today's semiconductor manufacturing process. In order to calculate an entire chip in realistic time, compact resist model is commonly used. The model is established for faster calculation. To have accurate compact resist model, it is necessary to fix a complicated non-linear model function. However, it is difficult to decide an appropriate function manually because there are many options. This paper proposes a new compact resist model using CNN (Convolutional Neural Networks) which is one of deep learning techniques. CNN model makes it possible to determine an appropriate model function and achieve accurate simulation. Experimental results show CNN model can reduce CD prediction errors by 70% compared with the conventional model.

A new protocol to accurately determine microtubule lattice seam location

DOE PAGES

Zhang, Rui; Nogales, Eva

2015-09-28

Microtubules (MTs) are cylindrical polymers of αβ-tubulin that display pseudo-helical symmetry due to the presence of a lattice seam of heterologous lateral contacts. The structural similarity between α- and β-tubulin makes it difficult to computationally distinguish them in the noisy cryo-EM images, unless a marker protein for the tubulin dimer, such as kinesin motor domain, is present. We have developed a new data processing protocol that can accurately determine αβ-tubulin register and seam location for MT segments. Our strategy can handle difficult situations, where the marker protein is relatively small or the decoration of marker protein is sparse. Using thismore » new seam-search protocol, combined with movie processing for data from a direct electron detection camera, we were able to determine the cryo-EM structures of MT at 3.5. Å resolution in different functional states. The successful distinction of α- and β-tubulin allowed us to visualize the nucleotide state at the E-site and the configuration of lateral contacts at the seam.« less

Accurate potentiometric determination of lipid membrane-water partition coefficients and apparent dissociation constants of ionizable drugs: electrostatic corrections.

PubMed

Elsayed, Mustafa M A; Vierl, Ulrich; Cevc, Gregor

2009-06-01

Potentiometric lipid membrane-water partition coefficient studies neglect electrostatic interactions to date; this leads to incorrect results. We herein show how to account properly for such interactions in potentiometric data analysis. We conducted potentiometric titration experiments to determine lipid membrane-water partition coefficients of four illustrative drugs, bupivacaine, diclofenac, ketoprofen and terbinafine. We then analyzed the results conventionally and with an improved analytical approach that considers Coulombic electrostatic interactions. The new analytical approach delivers robust partition coefficient values. In contrast, the conventional data analysis yields apparent partition coefficients of the ionized drug forms that depend on experimental conditions (mainly the lipid-drug ratio and the bulk ionic strength). This is due to changing electrostatic effects originating either from bound drug and/or lipid charges. A membrane comprising 10 mol-% mono-charged molecules in a 150 mM (monovalent) electrolyte solution yields results that differ by a factor of 4 from uncharged membranes results. Allowance for the Coulombic electrostatic interactions is a prerequisite for accurate and reliable determination of lipid membrane-water partition coefficients of ionizable drugs from potentiometric titration data. The same conclusion applies to all analytical methods involving drug binding to a surface.

Graded Interface Models for more accurate Determination of van der Waals-London Dispersion Interactions across Grain Boundaries

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

van Benthem, Klaus; Tan, Guolong; French, Roger H

2006-01-01

Attractive van der Waals V London dispersion interactions between two half crystals arise from local physical property gradients within the interface layer separating the crystals. Hamaker coefficients and London dispersion energies were quantitatively determined for 5 and near- 13 grain boundaries in SrTiO3 by analysis of spatially resolved valence electron energy-loss spectroscopy (VEELS) data. From the experimental data, local complex dielectric functions were determined, from which optical properties can be locally analysed. Both local electronic structures and optical properties revealed gradients within the grain boundary cores of both investigated interfaces. The obtained results show that even in the presence ofmore » atomically structured grain boundary cores with widths of less than 1 nm, optical properties have to be represented with gradual changes across the grain boundary structures to quantitatively reproduce accurate van der Waals V London dispersion interactions. London dispersion energies of the order of 10% of the apparent interface energies of SrTiO3 were observed, demonstrating their significance in the grain boundary formation process. The application of different models to represent optical property gradients shows that long-range van der Waals V London dispersion interactions scale significantly with local, i.e atomic length scale property variations.« less

Time-Dependent Reversible-Irreversible Deformation Threshold Determined Explicitly by Experimental Technique

NASA Technical Reports Server (NTRS)

Castelli, Michael G.; Arnold, Steven M.

2000-01-01

Structural materials for the design of advanced aeropropulsion components are usually subject to loading under elevated temperatures, where a material's viscosity (resistance to flow) is greatly reduced in comparison to its viscosity under low-temperature conditions. As a result, the propensity for the material to exhibit time-dependent deformation is significantly enhanced, even when loading is limited to a quasi-linear stress-strain regime as an effort to avoid permanent (irreversible) nonlinear deformation. An understanding and assessment of such time-dependent effects in the context of combined reversible and irreversible deformation is critical to the development of constitutive models that can accurately predict the general hereditary behavior of material deformation. To this end, researchers at the NASA Glenn Research Center at Lewis Field developed a unique experimental technique that identifies the existence of and explicitly determines a threshold stress k, below which the time-dependent material deformation is wholly reversible, and above which irreversible deformation is incurred. This technique is unique in the sense that it allows, for the first time, an objective, explicit, experimental measurement of k. The underlying concept for the experiment is based on the assumption that the material s time-dependent reversible response is invariable, even in the presence of irreversible deformation.

Fast and accurate automated cell boundary determination for fluorescence microscopy

NASA Astrophysics Data System (ADS)

Arce, Stephen Hugo; Wu, Pei-Hsun; Tseng, Yiider

2013-07-01

Detailed measurement of cell phenotype information from digital fluorescence images has the potential to greatly advance biomedicine in various disciplines such as patient diagnostics or drug screening. Yet, the complexity of cell conformations presents a major barrier preventing effective determination of cell boundaries, and introduces measurement error that propagates throughout subsequent assessment of cellular parameters and statistical analysis. State-of-the-art image segmentation techniques that require user-interaction, prolonged computation time and specialized training cannot adequately provide the support for high content platforms, which often sacrifice resolution to foster the speedy collection of massive amounts of cellular data. This work introduces a strategy that allows us to rapidly obtain accurate cell boundaries from digital fluorescent images in an automated format. Hence, this new method has broad applicability to promote biotechnology.

Molecular Simulation of the Free Energy for the Accurate Determination of Phase Transition Properties of Molecular Solids

NASA Astrophysics Data System (ADS)

Sellers, Michael; Lisal, Martin; Brennan, John

2015-06-01

Investigating the ability of a molecular model to accurately represent a real material is crucial to model development and use. When the model simulates materials in extreme conditions, one such property worth evaluating is the phase transition point. However, phase transitions are often overlooked or approximated because of difficulty or inaccuracy when simulating them. Techniques such as super-heating or super-squeezing a material to induce a phase change suffer from inherent timescale limitations leading to ``over-driving,'' and dual-phase simulations require many long-time runs to seek out what frequently results in an inexact location of phase-coexistence. We present a compilation of methods for the determination of solid-solid and solid-liquid phase transition points through the accurate calculation of the chemical potential. The methods are applied to the Smith-Bharadwaj atomistic potential's representation of cyclotrimethylene trinitramine (RDX) to accurately determine its melting point (Tm) and the alpha to gamma solid phase transition pressure. We also determine Tm for a coarse-grain model of RDX, and compare its value to experiment and atomistic counterpart. All methods are employed via the LAMMPS simulator, resulting in 60-70 simulations that total 30-50 ns. Approved for public release. Distribution is unlimited.

A new experimental method to determine the sorption isotherm of a liquid in a porous medium.

PubMed

Ouoba, Samuel; Cherblanc, Fabien; Cousin, Bruno; Bénet, Jean-Claude

2010-08-01

Sorption from the vapor phase is an important factor controlling the transport of volatile organic compounds (VOCs) in the vadose zone. Therefore, an accurate description of sorption behavior is essential to predict the ultimate fate of contaminants. Several measurement techniques are available in the case of water, however, when dealing with VOCs, the determination of sorption characteristics generally relies on gas chromatography. To avoid some drawbacks associated with this technology, we propose a new method to determine the sorption isotherm of any liquid compounds adsorbed in a soil. This method is based on standard and costless transducers (gas pressure, temperature) leading to a simple and transportable experimental device. A numerical estimation underlines the good accuracy and this technique is validated on two examples. Finally, this method is applied to determine the sorption isotherm of three liquid compounds (water, heptane, and trichloroethylene) in a clayey soil.

Development of a Star Tracker-Based Reference System for Accurate Attitude Determination of a Simulated Spacecraft

DTIC Science & Technology

2012-03-01

the mathematical pretext for quaternions, which summarizes as: In three- dimensional space , any displacement of a rigid body such that a ...for the patch board was selected, with a uniform 8 mm spacing between LED centers. Figure 33 is schematic of the patch board layout, and Fig. 34 shows...attitude determination since the dawn of the space age. Without accurate attitude determination, a “Lost- in-

Comparison of experimentally and theoretically determined radiation characteristics of photosynthetic microorganisms

NASA Astrophysics Data System (ADS)

Kandilian, Razmig; Pruvost, Jérémy; Artu, Arnaud; Lemasson, Camille; Legrand, Jack; Pilon, Laurent

2016-05-01

This paper aims to experimentally and directly validate a recent theoretical method for predicting the radiation characteristics of photosynthetic microorganisms. Such predictions would facilitate light transfer analysis in photobioreactors (PBRs) to control their operation and to maximize their production of biofuel and other high-value products. The state of the art experimental method can be applied to microorganisms of any shape and inherently accounts for their non-spherical and heterogeneous nature. On the other hand, the theoretical method treats the microorganisms as polydisperse homogeneous spheres with some effective optical properties. The absorption index is expressed as the weighted sum of the pigment mass absorption cross-sections and the refractive index is estimated based on the subtractive Kramers-Kronig relationship given an anchor refractive index and wavelength. Here, particular attention was paid to green microalgae Chlamydomonas reinhardtii grown under nitrogen-replete and nitrogen-limited conditions and to Chlorella vulgaris grown under nitrogen-replete conditions. First, relatively good agreement was found between the two methods for determining the mass absorption and scattering cross-sections and the asymmetry factor of both nitrogen-replete and nitrogen-limited C. reinhardtii with the proper anchor point. However, the homogeneous sphere approximation significantly overestimated the absorption cross-section of C. vulgaris cells. The latter were instead modeled as polydisperse coated spheres consisting of an absorbing core containing pigments and a non-absorbing but strongly refracting wall made of sporopollenin. The coated sphere approximation gave good predictions of the experimentally measured integral radiation characteristics of C. vulgaris. In both cases, the homogeneous and coated sphere approximations predicted resonance in the scattering phase function that were not observed experimentally. However, these approximations were

Three-dimensional FEM model of FBGs in PANDA fibers with experimentally determined model parameters

NASA Astrophysics Data System (ADS)

Lindner, Markus; Hopf, Barbara; Koch, Alexander W.; Roths, Johannes

2017-04-01

A 3D-FEM model has been developed to improve the understanding of multi-parameter sensing with Bragg gratings in attached or embedded polarization maintaining fibers. The material properties of the fiber, especially Young's modulus and Poisson's ratio of the fiber's stress applying parts, are crucial for accurate simulations, but are usually not provided by the manufacturers. A methodology is presented to determine the unknown parameters by using experimental characterizations of the fiber and iterative FEM simulations. The resulting 3D-Model is capable of describing the change in birefringence of the free fiber when exposed to longitudinal strain. In future studies the 3D-FEM model will be employed to study the interaction of PANDA fibers with the surrounding materials in which they are embedded.

Accurate Determination of the Quasiparticle and Scaling Properties Surrounding the Quantum Critical Point of Disordered Three-Dimensional Dirac Semimetals.

PubMed

Fu, Bo; Zhu, Wei; Shi, Qinwei; Li, Qunxiang; Yang, Jinlong; Zhang, Zhenyu

2017-04-07

Exploiting the enabling power of the Lanczos method in momentum space, we determine accurately the quasiparticle and scaling properties of disordered three-dimensional Dirac semimetals surrounding the quantum critical point separating the semimetal and diffusive metal regimes. We unveil that the imaginary part of the quasiparticle self-energy obeys a common power law before, at, and after the quantum phase transition, but the power law is nonuniversal, whose exponent is dependent on the disorder strength. More intriguingly, whereas a common power law is also found for the real part of the self-energy before and after the phase transition, a distinctly different behavior is identified at the critical point, characterized by the existence of a nonanalytic logarithmic singularity. This nonanalytical correction serves as the very basis for the unusual power-law behaviors of the quasiparticles and many other physical properties surrounding the quantum critical point. Our approach also allows the ready and reliable determination of the scaling properties of the correlation length and dynamical exponents. We further show that the central findings are valid for both uncorrelated and correlated disorder distributions and should be directly comparable with future experimental observations.

Accurate Determination of the Quasiparticle and Scaling Properties Surrounding the Quantum Critical Point of Disordered Three-dimensional Dirac Semimetals

DOE PAGES

Fu, Bo; Zhu, Wei; Shi, Qinwei; ...

2017-04-03

Exploiting the enabling power of the Lanczos method in momentum space, we determine accurately the quasiparticle and scaling properties of disordered three-dimensional Dirac semimetals surrounding the quantum critical point separating the semimetal and diffusive metal regimes. We unveil that the imaginary part of the quasiparticle self-energy obeys a common power law before, at, and after the quantum phase transition, but the power law is nonuniversal, whose exponent is dependent on the disorder strength. More intriguingly, whereas a common power law is also found for the real part of the self-energy before and after the phase transition, a distinctly different behaviormore » is identified at the critical point, characterized by the existence of a nonanalytic logarithmic singularity. This nonanalytical correction serves as the very basis for the unusual power-law behaviors of the quasiparticles and many other physical properties surrounding the quantum critical point. Our approach also allows the ready and reliable determination of the scaling properties of the correlation length and dynamical exponents. Furthermore, we show that the central findings are valid for both uncorrelated and correlated disorder distributions and should be directly comparable with future experimental observations.« less

Experimental determination of Ramsey numbers.

PubMed

Bian, Zhengbing; Chudak, Fabian; Macready, William G; Clark, Lane; Gaitan, Frank

2013-09-27

Ramsey theory is a highly active research area in mathematics that studies the emergence of order in large disordered structures. Ramsey numbers mark the threshold at which order first appears and are extremely difficult to calculate due to their explosive rate of growth. Recently, an algorithm that can be implemented using adiabatic quantum evolution has been proposed that calculates the two-color Ramsey numbers R(m,n). Here we present results of an experimental implementation of this algorithm and show that it correctly determines the Ramsey numbers R(3,3) and R(m,2) for 4≤m≤8. The R(8,2) computation used 84 qubits of which 28 were computational qubits. This computation is the largest experimental implementation of a scientifically meaningful adiabatic evolution algorithm that has been done to date.

Experimental Determination of Ramsey Numbers

NASA Astrophysics Data System (ADS)

Bian, Zhengbing; Chudak, Fabian; Macready, William G.; Clark, Lane; Gaitan, Frank

2013-09-01

Ramsey theory is a highly active research area in mathematics that studies the emergence of order in large disordered structures. Ramsey numbers mark the threshold at which order first appears and are extremely difficult to calculate due to their explosive rate of growth. Recently, an algorithm that can be implemented using adiabatic quantum evolution has been proposed that calculates the two-color Ramsey numbers R(m,n). Here we present results of an experimental implementation of this algorithm and show that it correctly determines the Ramsey numbers R(3,3) and R(m,2) for 4≤m≤8. The R(8,2) computation used 84 qubits of which 28 were computational qubits. This computation is the largest experimental implementation of a scientifically meaningful adiabatic evolution algorithm that has been done to date.

An accurate and rapid radiographic method of determining total lung capacity

PubMed Central

Reger, R. B.; Young, A.; Morgan, W. K. C.

1972-01-01

The accuracy and reliability of Barnhard's radiographic method of determining total lung capacity have been confirmed by several groups of investigators. Despite its simplicity and general reliability, it has several shortcomings, especially when used in large-scale epidemiological surveys. Of these, the most serious is related to film technique; thus, when the cardiac and diaphragmatic shadows are poorly defined, the appropriate measurements cannot be made accurately. A further drawback involves the time needed to measure the segments and to perform the necessary calculations. We therefore set out to develop an abbreviated and simpler radiographic method for determining total lung capacity. This uses a step-wise multiple regression model which allows total lung capacity to be derived as follows: posteroanterior and lateral films are divided into the standard sections as described in the text, the width, depth, and height of sections 1 and 4 are measured in centimetres, finally the necessary derivations and substitutions are made and applied to the formula Ŷ = −1·41148 + (0·00479 X1) + (0·00097 X4), where Ŷ is the total lung capacity. In our hands this method has provided a simple, rapid, and acceptable method of determining total lung capacity. PMID:5034594

Accurate deuterium spectroscopy for fundamental studies

NASA Astrophysics Data System (ADS)

Wcisło, P.; Thibault, F.; Zaborowski, M.; Wójtewicz, S.; Cygan, A.; Kowzan, G.; Masłowski, P.; Komasa, J.; Puchalski, M.; Pachucki, K.; Ciuryło, R.; Lisak, D.

2018-07-01

We present an accurate measurement of the weak quadrupole S(2) 2-0 line in self-perturbed D2 and theoretical ab initio calculations of both collisional line-shape effects and energy of this rovibrational transition. The spectra were collected at the 247-984 Torr pressure range with a frequency-stabilized cavity ring-down spectrometer linked to an optical frequency comb (OFC) referenced to a primary time standard. Our line-shape modeling employed quantum calculations of molecular scattering (the pressure broadening and shift and their speed dependencies were calculated, while the complex frequency of optical velocity-changing collisions was fitted to experimental spectra). The velocity-changing collisions are handled with the hard-sphere collisional kernel. The experimental and theoretical pressure broadening and shift are consistent within 5% and 27%, respectively (the discrepancy for shift is 8% when referred not to the speed averaged value, which is close to zero, but to the range of variability of the speed-dependent shift). We use our high pressure measurement to determine the energy, ν0, of the S(2) 2-0 transition. The ab initio line-shape calculations allowed us to mitigate the expected collisional systematics reaching the 410 kHz accuracy of ν0. We report theoretical determination of ν0 taking into account relativistic and QED corrections up to α5. Our estimation of the accuracy of the theoretical ν0 is 1.3 MHz. We observe 3.4σ discrepancy between experimental and theoretical ν0.

Strain gage based determination of mixed mode SIFs

NASA Astrophysics Data System (ADS)

Murthy, K. S. R. K.; Sarangi, H.; Chakraborty, D.

2018-05-01

Accurate determination of mixed mode stress intensity factors (SIFs) is essential in understanding and analysis of mixed mode fracture of engineering components. Only a few strain gage determination of mixed mode SIFs are reported in literatures and those also do not provide any prescription for radial locations of strain gages to ensure accuracy of measurement. The present investigation experimentally demonstrates the efficacy of a proposed methodology for the accurate determination of mixed mode I/II SIFs using strain gages. The proposed approach is based on the modified Dally and Berger's mixed mode technique. Using the proposed methodology appropriate gage locations (optimal locations) for a given configuration have also been suggested ensuring accurate determination of mixed mode SIFs. Experiments have been conducted by locating the gages at optimal and non-optimal locations to study the efficacy of the proposed approach. The experimental results from the present investigation show that highly accurate SIFs (0.064%) can be determined using the proposed approach if the gages are located at the suggested optimal locations. On the other hand, results also show the very high errors (212.22%) in measured SIFs possible if the gages are located at non-optimal locations. The present work thus clearly substantiates the importance of knowing the optimal locations of the strain gages apriori in accurate determination of SIFs.

Accurate Determination of Coulombic Efficiency for Lithium Metal Anodes and Lithium Metal Batteries

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

Adams, Brian D.; Zheng, Jianming; Ren, Xiaodi

Lithium (Li) metal is an ideal anode material for high energy density batteries. However, its low Coulombic efficiency (CE) and formation of dendrites during the plating and stripping processes has hindered its applications in rechargeable Li metal batteries. The accurate measurement of Li CE is a critical factor to predict the cycle life of Li metal batteries, but the measurement of Li CE is affected by various factors that often leads to conflicting values reported in the literature. Here, we investigate various factors that affect the measurement of Li CE and propose a more accurate method of determining Li CE.more » It was also found that the capacity used for cycling greatly affects the stabilization cycles and the average CE. A higher cycling capacity leads to a shorter number of stabilization cycles and higher average CE. With a proper high-concentration ether-based electrolyte, Li metal can be cycled with a high average CE of 99.5 % for over 100 cycles at a high capacity of 6 mAh cm-2 suitable for practical applications.« less

Effects of room airflow on accurate determination of PUF-PAS sampling rates in the indoor environment.

PubMed

Herkert, Nicholas J; Hornbuckle, Keri C

2018-05-23

Accurate and precise interpretation of concentrations from polyurethane passive samplers (PUF-PAS) is important as more studies show elevated concentrations of PCBs and other semivolatile air toxics in indoor air of schools and homes. If sufficiently reliable, these samplers may be used to identify local sources and human health risks. Here we report indoor air sampling rates (Rs) for polychlorinated biphenyl congeners (PCBs) predicted for a frequently used double-dome and a half-dome PUF-PAS design. Both our experimentally calibrated (1.10 ± 0.23 m3 d-1) and modeled (1.08 ± 0.04 m3 d-1) Rs for the double-dome samplers compare well with literature reports for similar rooms. We determined that variability of wind speeds throughout the room significantly (P < 0.001) effected uptake rates. We examined this effect using computational fluid dynamics modeling and 3-D sonic anemometer measurements and found the airflow dynamics to have a significant but small impact on the precision of calculated airborne concentrations. The PUF-PAS concentration measurements were within 27% and 10% of the active sampling concentration measurements for the double-dome and half-dome designs, respectively. While the half-dome samplers produced more consistent concentration measurements, we find both designs to perform well indoors.

Molecular determinants of blood-brain barrier permeation.

PubMed

Geldenhuys, Werner J; Mohammad, Afroz S; Adkins, Chris E; Lockman, Paul R

2015-01-01

The blood-brain barrier (BBB) is a microvascular unit which selectively regulates the permeability of drugs to the brain. With the rise in CNS drug targets and diseases, there is a need to be able to accurately predict a priori which compounds in a company database should be pursued for favorable properties. In this review, we will explore the different computational tools available today, as well as underpin these to the experimental methods used to determine BBB permeability. These include in vitro models and the in vivo models that yield the dataset we use to generate predictive models. Understanding of how these models were experimentally derived determines our accurate and predicted use for determining a balance between activity and BBB distribution.

Molecular determinants of blood–brain barrier permeation

PubMed Central

Geldenhuys, Werner J; Mohammad, Afroz S; Adkins, Chris E; Lockman, Paul R

2015-01-01

The blood–brain barrier (BBB) is a microvascular unit which selectively regulates the permeability of drugs to the brain. With the rise in CNS drug targets and diseases, there is a need to be able to accurately predict a priori which compounds in a company database should be pursued for favorable properties. In this review, we will explore the different computational tools available today, as well as underpin these to the experimental methods used to determine BBB permeability. These include in vitro models and the in vivo models that yield the dataset we use to generate predictive models. Understanding of how these models were experimentally derived determines our accurate and predicted use for determining a balance between activity and BBB distribution. PMID:26305616

Experimental determination of the dynamics of an acoustically levitated sphere

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

Pérez, Nicolás, E-mail: nico@fisica.edu.uy; Andrade, Marco A. B.; Canetti, Rafael

2014-11-14

Levitation of solids and liquids by ultrasonic standing waves is a promising technique to manipulate materials without contact. When a small particle is introduced in certain areas of a standing wave field, the acoustic radiation force pushes the particle to the pressure node. This movement is followed by oscillations of the levitated particle. Aiming to investigate the particle oscillations in acoustic levitation, this paper presents the experimental and numerical characterization of the dynamic behavior of a levitated sphere. To obtain the experimental response, a small sphere is lifted by the acoustic radiation force. After the sphere lift, it presents amore » damped oscillatory behavior, which is recorded by a high speed camera. To model this behavior, a mass-spring-damper system is proposed. In this model, the acoustic radiation force that acts on the sphere is theoretically predicted by the Gor'kov theory and the viscous forces are modeled by two damping terms, one term proportional to the square of the velocity and another term proportional to the particle velocity. The proposed model was experimentally verified by using different values of sound pressure amplitude. The comparison between numerical and experimental results shows that the model can accurately describe the oscillatory behavior of the sphere in an acoustic levitator.« less

Experimental determination of the dynamics of an acoustically levitated sphere

NASA Astrophysics Data System (ADS)

Pérez, Nicolás; Andrade, Marco A. B.; Canetti, Rafael; Adamowski, Julio C.

2014-11-01

Levitation of solids and liquids by ultrasonic standing waves is a promising technique to manipulate materials without contact. When a small particle is introduced in certain areas of a standing wave field, the acoustic radiation force pushes the particle to the pressure node. This movement is followed by oscillations of the levitated particle. Aiming to investigate the particle oscillations in acoustic levitation, this paper presents the experimental and numerical characterization of the dynamic behavior of a levitated sphere. To obtain the experimental response, a small sphere is lifted by the acoustic radiation force. After the sphere lift, it presents a damped oscillatory behavior, which is recorded by a high speed camera. To model this behavior, a mass-spring-damper system is proposed. In this model, the acoustic radiation force that acts on the sphere is theoretically predicted by the Gor'kov theory and the viscous forces are modeled by two damping terms, one term proportional to the square of the velocity and another term proportional to the particle velocity. The proposed model was experimentally verified by using different values of sound pressure amplitude. The comparison between numerical and experimental results shows that the model can accurately describe the oscillatory behavior of the sphere in an acoustic levitator.

Accurate Critical Stress Intensity Factor Griffith Crack Theory Measurements by Numerical Techniques

PubMed Central

Petersen, Richard C.

2014-01-01

Critical stress intensity factor (KIc) has been an approximation for fracture toughness using only load-cell measurements. However, artificial man-made cracks several orders of magnitude longer and wider than natural flaws have required a correction factor term (Y) that can be up to about 3 times the recorded experimental value [1-3]. In fact, over 30 years ago a National Academy of Sciences advisory board stated that empirical KIc testing was of serious concern and further requested that an accurate bulk fracture toughness method be found [4]. Now that fracture toughness can be calculated accurately by numerical integration from the load/deflection curve as resilience, work of fracture (WOF) and strain energy release (SIc) [5, 6], KIc appears to be unnecessary. However, the large body of previous KIc experimental test results found in the literature offer the opportunity for continued meta analysis with other more practical and accurate fracture toughness results using energy methods and numerical integration. Therefore, KIc is derived from the classical Griffith Crack Theory [6] to include SIc as a more accurate term for strain energy release rate (𝒢Ic), along with crack surface energy (γ), crack length (a), modulus (E), applied stress (σ), Y, crack-tip plastic zone defect region (rp) and yield strength (σys) that can all be determined from load and deflection data. Polymer matrix discontinuous quartz fiber-reinforced composites to accentuate toughness differences were prepared for flexural mechanical testing comprising of 3 mm fibers at different volume percentages from 0-54.0 vol% and at 28.2 vol% with different fiber lengths from 0.0-6.0 mm. Results provided a new correction factor and regression analyses between several numerical integration fracture toughness test methods to support KIc results. Further, bulk KIc accurate experimental values are compared with empirical test results found in literature. Also, several fracture toughness mechanisms

Accurate acoustic power measurement for low-intensity focused ultrasound using focal axial vibration velocity

NASA Astrophysics Data System (ADS)

Tao, Chenyang; Guo, Gepu; Ma, Qingyu; Tu, Juan; Zhang, Dong; Hu, Jimin

2017-07-01

Low-intensity focused ultrasound is a form of therapy that can have reversible acoustothermal effects on biological tissue, depending on the exposure parameters. The acoustic power (AP) should be chosen with caution for the sake of safety. To recover the energy of counteracted radial vibrations at the focal point, an accurate AP measurement method using the focal axial vibration velocity (FAVV) is proposed in explicit formulae and is demonstrated experimentally using a laser vibrometer. The experimental APs for two transducers agree well with theoretical calculations and numerical simulations, showing that AP is proportional to the square of the FAVV, with a fixed power gain determined by the physical parameters of the transducers. The favorable results suggest that the FAVV can be used as a valuable parameter for non-contact AP measurement, providing a new strategy for accurate power control for low-intensity focused ultrasound in biomedical engineering.

Experimental Determination of DT Yield in High Current DD Dense Plasma Focii

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

Lowe, D. R.; Hagen, E. C.; Meehan, B. T.

2013-06-18

Dense Plasma Focii (DPF), which utilize deuterium gas to produce 2.45 MeV neutrons, may in fact also produce DT fusion neutrons at 14.1 MeV due to the triton production in the DD reaction. If beam-target fusion is the primary producer of fusion neutrons in DPFs, it is possible that ejected tritons from the first pinch will interact with the second pinch, and so forth. The 2 MJ DPF at National Security Technologies’ Losee Road Facility is able to, and has produced, over 1E12 DD neutrons per pulse, allowing an accurate measurement of the DT/DD ratio. The DT/DD ratio was experimentallymore » verified by using the (n,2n) reaction in a large piece of praseodymium metal, which has a threshold reaction of 8 MeV, and is widely used as a DT yield measurement system1. The DT/DD ratio was experimentally determined for over 100 shots, and then compared to independent variables such as tube pressure, number of pinches per shot, total current, pinch current and charge voltage.« less

Highly Accurate Quantitative Analysis Of Enantiomeric Mixtures from Spatially Frequency Encoded 1H NMR Spectra.

PubMed

Plainchont, Bertrand; Pitoux, Daisy; Cyrille, Mathieu; Giraud, Nicolas

2018-02-06

We propose an original concept to measure accurately enantiomeric excesses on proton NMR spectra, which combines high-resolution techniques based on a spatial encoding of the sample, with the use of optically active weakly orienting solvents. We show that it is possible to simulate accurately dipolar edited spectra of enantiomers dissolved in a chiral liquid crystalline phase, and to use these simulations to calibrate integrations that can be measured on experimental data, in order to perform a quantitative chiral analysis. This approach is demonstrated on a chemical intermediate for which optical purity is an essential criterion. We find that there is a very good correlation between the experimental and calculated integration ratios extracted from G-SERF spectra, which paves the way to a general method of determination of enantiomeric excesses based on the observation of 1 H nuclei.

Validation of a new noniterative method for accurate position determination of a scanning laser vibrometer

NASA Astrophysics Data System (ADS)

Pauwels, Steven; Boucart, Nick; Dierckx, Benoit; Van Vlierberghe, Pieter

2000-05-01

The use of a scanning laser Doppler vibrometer for vibration testing is becoming a popular instrument. The scanning laser Doppler vibrometer is a non-contacting transducer that can measure many points at a high spatial resolution in a short time. Manually aiming the laser beam at the points that need to be measured is very time consuming. In order to use it effectively, the position of the laser Doppler vibrometer needs to be determined relative to the structure. If the position of the laser Doppler vibrometer is known, any visible point on the structure can be hit and measured automatically. A new algorithm for this position determination is developed, based on a geometry model of the structure. After manually aiming the laser beam at 4 or more known points, the laser position and orientation relative to the structure is determined. Using this calculated position and orientation a list with the mirror angles for every measurement point is generated, which is used during the measurement. The algorithm is validated using 3 practical cases. In the first case a plate is used of which the points are measured very accurately, so the geometry model is assumed to be perfect. The second case is a brake disc. Here the geometry points are measured with a ruler, thus not so accurate. The final validation is done on a body in white of a car. A reduced finite element model is used as geometry model. This calibration shows that the new algorithm is very effective and practically usable.

Experimental demonstration of cheap and accurate phase estimation

NASA Astrophysics Data System (ADS)

Rudinger, Kenneth; Kimmel, Shelby; Lobser, Daniel; Maunz, Peter

We demonstrate experimental implementation of robust phase estimation (RPE) to learn the phases of X and Y rotations on a trapped Yb+ ion qubit.. Unlike many other phase estimation protocols, RPE does not require ancillae nor near-perfect state preparation and measurement operations. Additionally, its computational requirements are minimal. Via RPE, using only 352 experimental samples per phase, we estimate phases of implemented gates with errors as small as 10-4 radians, as validated using gate set tomography. We also demonstrate that these estimates exhibit Heisenberg scaling in accuracy. Sandia National Laboratories is a multi-program 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.

Feedback about More Accurate versus Less Accurate Trials: Differential Effects on Self-Confidence and Activation

ERIC Educational Resources Information Center

Badami, Rokhsareh; VaezMousavi, Mohammad; Wulf, Gabriele; Namazizadeh, Mahdi

2012-01-01

One purpose of the present study was to examine whether self-confidence or anxiety would be differentially affected by feedback from more accurate rather than less accurate trials. The second purpose was to determine whether arousal variations (activation) would predict performance. On Day 1, participants performed a golf putting task under one of…

A Simple yet Accurate Method for Students to Determine Asteroid Rotation Periods from Fragmented Light Curve Data

ERIC Educational Resources Information Center

Beare, R. A.

2008-01-01

Professional astronomers use specialized software not normally available to students to determine the rotation periods of asteroids from fragmented light curve data. This paper describes a simple yet accurate method based on Microsoft Excel[R] that enables students to find periods in asteroid light curve and other discontinuous time series data of…

On the Experimental Determination of the One-Way Speed of Light

ERIC Educational Resources Information Center

Perez, Israel

2011-01-01

In this paper the question of the isotropy of the one-way speed of light is addressed from an experimental perspective. In particular, we analyse two experimental methods commonly used in its determination. The analysis is aimed at clarifying the view that the one-way speed of light cannot be determined by techniques in which physical entities…

Experimental determination of satellite bolted joints thermal resistance

NASA Technical Reports Server (NTRS)

Mantelli, Marcia Barbosa Henriques; Basto, Jose Edson

1990-01-01

The thermal resistance was experimentally determined of the bolted joints of the first Brazilian satellite (SCD 01). These joints, used to connect the satellite structural panels, are reproduced in an experimental apparatus, keeping, as much as possible, the actual dimensions and materials. A controlled amount of heat is forced to pass through the joint and the difference of temperature between the panels is measured. The tests are conducted in a vacuum chamber with liquid nitrogen cooled walls, that simulates the space environment. Experimental procedures are used to avoid much heat losses, which are carefully calculated. Important observations about the behavior of the joint thermal resistance with the variation of the mean temperature are made.

A hybrid solution using computational prediction and measured data to accurately determine process corrections with reduced overlay sampling

NASA Astrophysics Data System (ADS)

Noyes, Ben F.; Mokaberi, Babak; Mandoy, Ram; Pate, Alex; Huijgen, Ralph; McBurney, Mike; Chen, Owen

2017-03-01

Reducing overlay error via an accurate APC feedback system is one of the main challenges in high volume production of the current and future nodes in the semiconductor industry. The overlay feedback system directly affects the number of dies meeting overlay specification and the number of layers requiring dedicated exposure tools through the fabrication flow. Increasing the former number and reducing the latter number is beneficial for the overall efficiency and yield of the fabrication process. An overlay feedback system requires accurate determination of the overlay error, or fingerprint, on exposed wafers in order to determine corrections to be automatically and dynamically applied to the exposure of future wafers. Since current and future nodes require correction per exposure (CPE), the resolution of the overlay fingerprint must be high enough to accommodate CPE in the overlay feedback system, or overlay control module (OCM). Determining a high resolution fingerprint from measured data requires extremely dense overlay sampling that takes a significant amount of measurement time. For static corrections this is acceptable, but in an automated dynamic correction system this method creates extreme bottlenecks for the throughput of said system as new lots have to wait until the previous lot is measured. One solution is using a less dense overlay sampling scheme and employing computationally up-sampled data to a dense fingerprint. That method uses a global fingerprint model over the entire wafer; measured localized overlay errors are therefore not always represented in its up-sampled output. This paper will discuss a hybrid system shown in Fig. 1 that combines a computationally up-sampled fingerprint with the measured data to more accurately capture the actual fingerprint, including local overlay errors. Such a hybrid system is shown to result in reduced modelled residuals while determining the fingerprint, and better on-product overlay performance.

Effect of experimental and sample factors on dehydration kinetics of mildronate dihydrate: mechanism of dehydration and determination of kinetic parameters.

PubMed

Bērziņš, Agris; Actiņš, Andris

2014-06-01

The dehydration kinetics of mildronate dihydrate [3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propionate dihydrate] was analyzed in isothermal and nonisothermal modes. The particle size, sample preparation and storage, sample weight, nitrogen flow rate, relative humidity, and sample history were varied in order to evaluate the effect of these factors and to more accurately interpret the data obtained from such analysis. It was determined that comparable kinetic parameters can be obtained in both isothermal and nonisothermal mode. However, dehydration activation energy values obtained in nonisothermal mode showed variation with conversion degree because of different rate-limiting step energy at higher temperature. Moreover, carrying out experiments in this mode required consideration of additional experimental complications. Our study of the different sample and experimental factor effect revealed information about changes of the dehydration rate-limiting step energy, variable contribution from different rate limiting steps, as well as clarified the dehydration mechanism. Procedures for convenient and fast determination of dehydration kinetic parameters were offered. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Experimental Determination of Unsteady Forces on Contrarotating Propellers in Uniform Flow

DTIC Science & Technology

1976-03-01

Experimental Determination of Unsteady Forces on Contrarotating Propellers ini Uniform Flow ... EXPERIMENTAL DETERMINATION OF UNSTEADY FORCES E ON CONTP.AROTATING PROPELLERS IN UNIFORM FLOW0 0 cby -1 Marlin L. Miller 0 cc 0 z ~APPROVED FOR PUBLIC...tunnel. The experiments were conducted in uniform flow so that the unsteady forces would be due only to the interaction of the two

Accurate thermoelastic tensor and acoustic velocities of NaCl

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

Marcondes, Michel L., E-mail: michel@if.usp.br; Chemical Engineering and Material Science, University of Minnesota, Minneapolis, 55455; Shukla, Gaurav, E-mail: shukla@physics.umn.edu

Despite the importance of thermoelastic properties of minerals in geology and geophysics, their measurement at high pressures and temperatures are still challenging. Thus, ab initio calculations are an essential tool for predicting these properties at extreme conditions. Owing to the approximate description of the exchange-correlation energy, approximations used in calculations of vibrational effects, and numerical/methodological approximations, these methods produce systematic deviations. Hybrid schemes combining experimental data and theoretical results have emerged as a way to reconcile available information and offer more reliable predictions at experimentally inaccessible thermodynamics conditions. Here we introduce a method to improve the calculated thermoelastic tensor bymore » using highly accurate thermal equation of state (EoS). The corrective scheme is general, applicable to crystalline solids with any symmetry, and can produce accurate results at conditions where experimental data may not exist. We apply it to rock-salt-type NaCl, a material whose structural properties have been challenging to describe accurately by standard ab initio methods and whose acoustic/seismic properties are important for the gas and oil industry.« less

Comparison of calculated and experimentally determined SID of CP and AA in complex diets differing in AA contents for grower finisher pigs.

PubMed

Büsing, K; Berk, A; Müller, S; Kieckhäven, S; Krüger, K; Zeyner, A

2017-10-01

In practice, the content of standardized ileal digestible AA in complex feeds for pigs is calculated on the basis of tabulated values for individual feedstuffs. It comes into question, however, whether this truly reflects an accurate content based upon the estimate made for the individual feedstuffs. The objective of this study was to compare standardized ileal digestibility (SID) of crude protein (CP) and selected AA in complex feeds for grower and finisher pigs either calculated or experimentally determined. Six diets with increasing AA levels were prepared for grower (BW from 30 to 70 kg) and finisher (BW from 70 to 120 kg) feed. Crystalline L-lys, DL-met and L-thr were added to both diets, L-trp and L-val only to the grower feed. SID of both CP and AA was calculated from feed tables and experimentally determined in six adult minipigs (MINILEWE) with ileorectal anastomosis. With increasing AA levels, experimentally determined SID of supplemented AA increased (p < 0.05), but SID of CP (p ≥ 0.05) was not affected. In both grower and finisher feed, calculated and experimentally determined SID of CP, Met, Cys, Trp, Ile and Tyr differed by more than 2% units, but those of Lys and His only in the finisher feed. Yet this effect was not directly consistent. The margin of error following estimation of SID of AA via tabulated values for individual feedstuffs, however, seems to be acceptable for practical use. Journal of Animal Physiology and Animal Nutrition © 2017 Blackwell Verlag GmbH.

Experimental Determination of Unsteady Forces on Contrarotating Propellers for Application to Torpedoes

DTIC Science & Technology

1981-12-01

Experimental determination of Unsteady Forces on Contrarotating Propellers in Uniform Flow ," David Taylor Naval Ship R&D Center, Ship Performance...were planned to determine the unsteady forces on contrarotating propellers in a 4-cycle wake, there were also experiments made in uniform flow to check...Subtitle) S. TYPE OF REPORT G PERIOD COVERED Experimental Determination of Unsteady Forces on

An Accurate ab initio Quartic Force Field and Vibrational Frequencies for CH4 and Isotopomers

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Martin, Jan M. L.; Taylor, Peter R.

1995-01-01

A very accurate ab initio quartic force field for CH4 and its isotopomers is presented. The quartic force field was determined with the singles and doubles coupled-cluster procedure that includes a quasiperturbative estimate of the effects of connected triple excitations, CCSD(T), using the correlation consistent polarized valence triple zeta, cc-pVTZ, basis set. Improved quadratic force constants were evaluated with the correlation consistent polarized valence quadruple zeta, cc-pVQZ, basis set. Fundamental vibrational frequencies are determined using second-order perturbation theory anharmonic analyses. All fundamentals of CH4 and isotopomers for which accurate experimental values exist and for which there is not a large Fermi resonance, are predicted to within +/- 6 cm(exp -1). It is thus concluded that our predictions for the harmonic frequencies and the anharmonic constants are the most accurate estimates available. It is also shown that using cubic and quartic force constants determined with the correlation consistent polarized double zeta, cc-pVDZ, basis set in conjunction with the cc-pVQZ quadratic force constants and equilibrium geometry leads to accurate predictions for the fundamental vibrational frequencies of methane, suggesting that this approach may be a viable alternative for larger molecules. Using CCSD(T), core correlation is found to reduce the CH4 r(e), by 0.0015 A. Our best estimate for r, is 1.0862 +/- 0.0005 A.

EXPERIMENTAL PROTOCOL FOR DETERMINING PROTOLYSIS REACTION RATE CONSTANTS

EPA Science Inventory

An experimental protocol to determine photolysis rates of chemicals which photolyze relatively rapidly in the gas phase has been developed. This procedure provides a basis for evaluating the relative importance of one atmospheric reaction pathway (i.e., photolysis) for organic su...

Experimental Demonstration of a Cheap and Accurate Phase Estimation

DOE PAGES

Rudinger, Kenneth; Kimmel, Shelby; Lobser, Daniel; ...

2017-05-11

We demonstrate an experimental implementation of robust phase estimation (RPE) to learn the phase of a single-qubit rotation on a trapped Yb + ion qubit. Here, we show this phase can be estimated with an uncertainty below 4 × 10 -4 rad using as few as 176 total experimental samples, and our estimates exhibit Heisenberg scaling. Unlike standard phase estimation protocols, RPE neither assumes perfect state preparation and measurement, nor requires access to ancillae. We crossvalidate the results of RPE with the more resource-intensive protocol of gate set tomography.

Accurate Mass Determination of Organotrifluoroborates

PubMed Central

Petrillo, Daniel E.; Kohli, Rakesh K.; Molander, Gary A.

2007-01-01

Exact mass measurements were obtained for a variety of potassium- and tetra-n-butylammonium organotrifluoroborates using commercially available organic sulfate salts as internal reference standards. Accuracies were determined within 5 ppm using a sector ESI mass spectrometer operating in the negative ionization mode. PMID:17112738

Two-dimensional flow nanometry of biological nanoparticles for accurate determination of their size and emission intensity

NASA Astrophysics Data System (ADS)

Block, Stephan; Fast, Björn Johansson; Lundgren, Anders; Zhdanov, Vladimir P.; Höök, Fredrik

2016-09-01

Biological nanoparticles (BNPs) are of high interest due to their key role in various biological processes and use as biomarkers. BNP size and composition are decisive for their functions, but simultaneous determination of both properties with high accuracy remains challenging. Optical microscopy allows precise determination of fluorescence/scattering intensity, but not the size of individual BNPs. The latter is better determined by tracking their random motion in bulk, but the limited illumination volume for tracking this motion impedes reliable intensity determination. Here, we show that by attaching BNPs to a supported lipid bilayer, subjecting them to hydrodynamic flows and tracking their motion via surface-sensitive optical imaging enable determination of their diffusion coefficients and flow-induced drifts, from which accurate quantification of both BNP size and emission intensity can be made. For vesicles, the accuracy of this approach is demonstrated by resolving the expected radius-squared dependence of their fluorescence intensity for radii down to 15 nm.

Accurate Determination of the Values of Fundamental Physical Constants: The Basis of the New "Quantum" SI Units

NASA Astrophysics Data System (ADS)

Karshenboim, S. G.

2018-03-01

The metric system appeared as the system of units designed for macroscopic (laboratory scale) measurements. The progress in accurate determination of the values of quantum constants (such as the Planck constant) in SI units shows that the capabilities in high-precision measurement of microscopic and macroscopic quantities in terms of the same units have increased substantially recently. At the same time, relative microscopic measurements (for example, the comparison of atomic transition frequencies or atomic masses) are often much more accurate than relative measurements of macroscopic quantities. This is the basis for the strategy to define units in microscopic phenomena and then use them on the laboratory scale, which plays a crucial role in practical methodological applications determined by everyday life and technologies. The international CODATA task group on fundamental constants regularly performs an overall analysis of the precision world data (the so-called Adjustment of the Fundamental Constants) and publishes their recommended values. The most recent evaluation was based on the data published by the end of 2014; here, we review the corresponding data and results. The accuracy in determination of the Boltzmann constant has increased, the consistency of the data on determination of the Planck constant has improved; it is these two dimensional constants that will be used in near future as the basis for the new definition of the kelvin and kilogram, respectively. The contradictions in determination of the Rydberg constant and the proton charge radius remain. The accuracy of determination of the fine structure constant and relative atomic weight of the electron has improved. Overall, we give a detailed review of the state of the art in precision determination of the values of fundamental constants. The mathematical procedure of the Adjustment, the new data and results are considered in detail. The limitations due to macroscopic properties of material

A fast algorithm for determining bounds and accurate approximate p-values of the rank product statistic for replicate experiments.

PubMed

Heskes, Tom; Eisinga, Rob; Breitling, Rainer

2014-11-21

The rank product method is a powerful statistical technique for identifying differentially expressed molecules in replicated experiments. A critical issue in molecule selection is accurate calculation of the p-value of the rank product statistic to adequately address multiple testing. Both exact calculation and permutation and gamma approximations have been proposed to determine molecule-level significance. These current approaches have serious drawbacks as they are either computationally burdensome or provide inaccurate estimates in the tail of the p-value distribution. We derive strict lower and upper bounds to the exact p-value along with an accurate approximation that can be used to assess the significance of the rank product statistic in a computationally fast manner. The bounds and the proposed approximation are shown to provide far better accuracy over existing approximate methods in determining tail probabilities, with the slightly conservative upper bound protecting against false positives. We illustrate the proposed method in the context of a recently published analysis on transcriptomic profiling performed in blood. We provide a method to determine upper bounds and accurate approximate p-values of the rank product statistic. The proposed algorithm provides an order of magnitude increase in throughput as compared with current approaches and offers the opportunity to explore new application domains with even larger multiple testing issue. The R code is published in one of the Additional files and is available at http://www.ru.nl/publish/pages/726696/rankprodbounds.zip .

Determination of accurate vertical atmospheric profiles of extinction and turbulence

NASA Astrophysics Data System (ADS)

Hammel, Steve; Campbell, James; Hallenborg, Eric

2017-09-01

Our ability to generate an accurate vertical profile characterizing the atmosphere from the surface to a point above the boundary layer top is quite rudimentary. The region from a land or sea surface to an altitude of 3000 meters is dynamic and particularly important to the performance of many active optical systems. Accurate and agile instruments are necessary to provide measurements in various conditions, and models are needed to provide the framework and predictive capability necessary for system design and optimization. We introduce some of the path characterization instruments and describe the first work to calibrate and validate them. Along with a verification of measurement accuracy, the tests must also establish each instruments performance envelope. Measurement of these profiles in the field is a problem, and we will present a discussion of recent field test activity to address this issue. The Comprehensive Atmospheric Boundary Layer Extinction/Turbulence Resolution Analysis eXperiment (CABLE/TRAX) was conducted late June 2017. There were two distinct objectives for the experiment: 1) a comparison test of various scintillometers and transmissometers on a homogeneous horizontal path; 2) a vertical profile experiment. In this paper we discuss only the vertical profiling effort, and we describe the instruments that generated data for vertical profiles of absorption, scattering, and turbulence. These three profiles are the core requirements for an accurate assessment of laser beam propagation.

Accurate determination of fiber water-retaining capability at process conditions by headspace gas chromatography.

PubMed

Zhang, Shu-Xin; Chai, Xin-Sheng; He, Liang

2016-09-16

This work reports on a method for the accurate determination of fiber water-retaining capability at process conditions by headspace gas chromatography (HS-GC) method. The method was based the HS-GC measurement of water vapor on a set closed vials containing in a given amount pulp with different amounts of water addition, from under-saturation to over-saturation. By plotting the equilibrated water vapor signal vs. the amount of water added in pulp, two different trend lines can be observed, in which the transition of the lines corresponds to fiber water-retaining capability. The results showed that the HS-GC method has good measurement precision (much better than the reference method) and good accuracy. The present method can be also used for determining pulp fiber water-retaining capability at the process temperatures in both laboratory research and mill applications. Copyright © 2016 Elsevier B.V. All rights reserved.

Accurate Determination of Comet and Asteroid Orbits Leading to Collision With Earth

NASA Technical Reports Server (NTRS)

Roithmayr, Carlos M.; Kay-Bunnell, Linda; Mazanek, Daniel D.; Kumar, Renjith R.; Seywald, Hans; Hausman, Matthew A.

2005-01-01

Movements of the celestial bodies in our solar system inspired Isaac Newton to work out his profound laws of gravitation and motion; with one or two notable exceptions, all of those objects move as Newton said they would. But normally harmonious orbital motion is accompanied by the risk of collision, which can be cataclysmic. The Earth s moon is thought to have been produced by such an event, and we recently witnessed magnificent bombardments of Jupiter by several pieces of what was once Comet Shoemaker-Levy 9. Other comets or asteroids may have met the Earth with such violence that dinosaurs and other forms of life became extinct; it is this possibility that causes us to ask how the human species might avoid a similar catastrophe, and the answer requires a thorough understanding of orbital motion. The two red square flags with black square centers displayed are internationally recognized as a warning of an impending hurricane. Mariners and coastal residents who know the meaning of this symbol and the signs evident in the sky and ocean can act in advance to try to protect lives and property; someone who is unfamiliar with the warning signs or chooses to ignore them is in much greater jeopardy. Although collisions between Earth and large comets or asteroids occur much less frequently than landfall of a hurricane, it is imperative that we learn to identify the harbingers of such collisions by careful examination of an object s path. An accurate determination of the orbit of a comet or asteroid is necessary in order to know if, when, and where on the Earth s surface a collision will occur. Generally speaking, the longer the warning time, the better the chance of being able to plan and execute action to prevent a collision. The more accurate the determination of an orbit, the less likely such action will be wasted effort or, what is worse, an effort that increases rather than decreases the probability of a collision. Conditions necessary for a collision to occur are

Method of fission heat flux determination from experimental data

DOEpatents

Paxton, Frank A.

1999-01-01

A method is provided for determining the fission heat flux of a prime specimen inserted into a specimen of a test reactor. A pair of thermocouple test specimens are positioned at the same level in the holder and a determination is made of various experimental data including the temperature of the thermocouple test specimens, the temperature of bulk water channels located in the test holder, the gamma scan count ratios for the thermocouple test specimens and the prime specimen, and the thicknesses of the outer clads, the fuel fillers, and the backclad of the thermocouple test specimen. Using this experimental data, the absolute value of the fission heat flux for the thermocouple test specimens and prime specimen can be calculated.

A novel method for the accurate evaluation of Poisson's ratio of soft polymer materials.

PubMed

Lee, Jae-Hoon; Lee, Sang-Soo; Chang, Jun-Dong; Thompson, Mark S; Kang, Dong-Joong; Park, Sungchan; Park, Seonghun

2013-01-01

A new method with a simple algorithm was developed to accurately measure Poisson's ratio of soft materials such as polyvinyl alcohol hydrogel (PVA-H) with a custom experimental apparatus consisting of a tension device, a micro X-Y stage, an optical microscope, and a charge-coupled device camera. In the proposed method, the initial positions of the four vertices of an arbitrarily selected quadrilateral from the sample surface were first measured to generate a 2D 1st-order 4-node quadrilateral element for finite element numerical analysis. Next, minimum and maximum principal strains were calculated from differences between the initial and deformed shapes of the quadrilateral under tension. Finally, Poisson's ratio of PVA-H was determined by the ratio of minimum principal strain to maximum principal strain. This novel method has an advantage in the accurate evaluation of Poisson's ratio despite misalignment between specimens and experimental devices. In this study, Poisson's ratio of PVA-H was 0.44 ± 0.025 (n = 6) for 2.6-47.0% elongations with a tendency to decrease with increasing elongation. The current evaluation method of Poisson's ratio with a simple measurement system can be employed to a real-time automated vision-tracking system which is used to accurately evaluate the material properties of various soft materials.

Experimental Techniques Verified for Determining Yield and Flow Surfaces

NASA Technical Reports Server (NTRS)

Lerch, Brad A.; Ellis, Rod; Lissenden, Cliff J.

1998-01-01

Structural components in aircraft engines are subjected to multiaxial loads when in service. For such components, life prediction methodologies are dependent on the accuracy of the constitutive models that determine the elastic and inelastic portions of a loading cycle. A threshold surface (such as a yield surface) is customarily used to differentiate between reversible and irreversible flow. For elastoplastic materials, a yield surface can be used to delimit the elastic region in a given stress space. The concept of a yield surface is central to the mathematical formulation of a classical plasticity theory, but at elevated temperatures, material response can be highly time dependent. Thus, viscoplastic theories have been developed to account for this time dependency. Since the key to many of these theories is experimental validation, the objective of this work (refs. 1 and 2) at the NASA Lewis Research Center was to verify that current laboratory techniques and equipment are sufficient to determine flow surfaces at elevated temperatures. By probing many times in the axial-torsional stress space, we could define the yield and flow surfaces. A small offset definition of yield (10 me) was used to delineate the boundary between reversible and irreversible behavior so that the material state remained essentially unchanged and multiple probes could be done on the same specimen. The strain was measured with an off-the-shelf multiaxial extensometer that could measure the axial and torsional strains over a wide range of temperatures. The accuracy and resolution of this extensometer was verified by comparing its data with strain gauge data at room temperature. The extensometer was found to have sufficient resolution for these experiments. In addition, the amount of crosstalk (i.e., the accumulation of apparent strain in one direction when strain in the other direction is applied) was found to be negligible. Tubular specimens were induction heated to determine the flow

Accurate determination of the diffusion coefficient of proteins by Fourier analysis with whole column imaging detection.

PubMed

Zarabadi, Atefeh S; Pawliszyn, Janusz

2015-02-17

Analysis in the frequency domain is considered a powerful tool to elicit precise information from spectroscopic signals. In this study, the Fourier transformation technique is employed to determine the diffusion coefficient (D) of a number of proteins in the frequency domain. Analytical approaches are investigated for determination of D from both experimental and data treatment viewpoints. The diffusion process is modeled to calculate diffusion coefficients based on the Fourier transformation solution to Fick's law equation, and its results are compared to time domain results. The simulations characterize optimum spatial and temporal conditions and demonstrate the noise tolerance of the method. The proposed model is validated by its application for the electropherograms from the diffusion path of a set of proteins. Real-time dynamic scanning is conducted to monitor dispersion by employing whole column imaging detection technology in combination with capillary isoelectric focusing (CIEF) and the imaging plug flow (iPF) experiment. These experimental techniques provide different peak shapes, which are utilized to demonstrate the Fourier transformation ability in extracting diffusion coefficients out of irregular shape signals. Experimental results confirmed that the Fourier transformation procedure substantially enhanced the accuracy of the determined values compared to those obtained in the time domain.

Experimental Methodology for Determining Turbomachinery Blade Damping Using Magnetic Bearing Excitation and Non-Contacting Optical Measurements

NASA Technical Reports Server (NTRS)

Provenza, Andrew J.; Duffy, Kirsten P.

2010-01-01

Experiments to determine the effects of turbomachinery fan blade damping concepts such as passively shunted piezoelectric materials on blade response are ongoing at the NASA Glenn Research Center. A vertical rotor is suspended and excited with active magnetic bearings (AMBs) usually in a vacuum chamber to eliminate aerodynamic forces. Electromagnetic rotor excitation is superimposed onto rotor PD-controlled support and can be fixed to either a stationary or rotating frame of reference. The rotor speed is controlled with an air turbine system. Blade vibrations are measured using optical probes as part of a Non-Contacting Stress Measurement System (NSMS). Damping is calculated from these measurements. It can be difficult to get accurate damping measurements using this experimental setup and some of the details of how to obtain quality results are seemingly nontrivial. The intent of this paper is to present those details.

Accurate and facile determination of the index of refraction of organic thin films near the carbon 1s absorption edge.

PubMed

Yan, Hongping; Wang, Cheng; McCarn, Allison R; Ade, Harald

2013-04-26

A practical and accurate method to obtain the index of refraction, especially the decrement δ, across the carbon 1s absorption edge is demonstrated. The combination of absorption spectra scaled to the Henke atomic scattering factor database, the use of the doubly subtractive Kramers-Kronig relations, and high precision specular reflectivity measurements from thin films allow the notoriously difficult-to-measure δ to be determined with high accuracy. No independent knowledge of the film thickness or density is required. High confidence interpolation between relatively sparse measurements of δ across an absorption edge is achieved. Accurate optical constants determined by this method are expected to greatly improve the simulation and interpretation of resonant soft x-ray scattering and reflectivity data. The method is demonstrated using poly(methyl methacrylate) and should be extendable to all organic materials.

Ensemble MD simulations restrained via crystallographic data: Accurate structure leads to accurate dynamics

PubMed Central

Xue, Yi; Skrynnikov, Nikolai R

2014-01-01

Currently, the best existing molecular dynamics (MD) force fields cannot accurately reproduce the global free-energy minimum which realizes the experimental protein structure. As a result, long MD trajectories tend to drift away from the starting coordinates (e.g., crystallographic structures). To address this problem, we have devised a new simulation strategy aimed at protein crystals. An MD simulation of protein crystal is essentially an ensemble simulation involving multiple protein molecules in a crystal unit cell (or a block of unit cells). To ensure that average protein coordinates remain correct during the simulation, we introduced crystallography-based restraints into the MD protocol. Because these restraints are aimed at the ensemble-average structure, they have only minimal impact on conformational dynamics of the individual protein molecules. So long as the average structure remains reasonable, the proteins move in a native-like fashion as dictated by the original force field. To validate this approach, we have used the data from solid-state NMR spectroscopy, which is the orthogonal experimental technique uniquely sensitive to protein local dynamics. The new method has been tested on the well-established model protein, ubiquitin. The ensemble-restrained MD simulations produced lower crystallographic R factors than conventional simulations; they also led to more accurate predictions for crystallographic temperature factors, solid-state chemical shifts, and backbone order parameters. The predictions for 15N R1 relaxation rates are at least as accurate as those obtained from conventional simulations. Taken together, these results suggest that the presented trajectories may be among the most realistic protein MD simulations ever reported. In this context, the ensemble restraints based on high-resolution crystallographic data can be viewed as protein-specific empirical corrections to the standard force fields. PMID:24452989

Experimental determination of third-order elastic constants of diamond.

PubMed

Lang, J M; Gupta, Y M

2011-03-25

To determine the nonlinear elastic response of diamond, single crystals were shock compressed along the [100], [110], and [111] orientations to 120 GPa peak elastic stresses. Particle velocity histories and elastic wave velocities were measured by using laser interferometry. The measured elastic wave profiles were used, in combination with published acoustic measurements, to determine the complete set of third-order elastic constants. These constants represent the first experimental determination, and several differ significantly from those calculated by using theoretical models.

New-Generation BeiDou (BDS-3) Experimental Satellite Precise Orbit Determination with an Improved Cycle-Slip Detection and Repair Algorithm

PubMed Central

Hu, Chao; Wang, Qianxin; Wang, Zhongyuan; Hernández Moraleda, Alberto

2018-01-01

Currently, five new-generation BeiDou (BDS-3) experimental satellites are working in orbit and broadcast B1I, B3I, and other new signals. Precise satellite orbit determination of the BDS-3 is essential for the future global services of the BeiDou system. However, BDS-3 experimental satellites are mainly tracked by the international GNSS Monitoring and Assessment Service (iGMAS) network. Under the current constraints of the limited data sources and poor data quality of iGMAS, this study proposes an improved cycle-slip detection and repair algorithm, which is based on a polynomial prediction of ionospheric delays. The improved algorithm takes the correlation of ionospheric delays into consideration to accurately estimate and repair cycle slips in the iGMAS data. Moreover, two methods of BDS-3 experimental satellite orbit determination, namely, normal equation stacking (NES) and step-by-step (SS), are designed to strengthen orbit estimations and to make full use of the BeiDou observations in different tracking networks. In addition, a method to improve computational efficiency based on a matrix eigenvalue decomposition algorithm is derived in the NES. Then, one-year of BDS-3 experimental satellite precise orbit determinations were conducted based on iGMAS and Multi-GNSS Experiment (MGEX) networks. Furthermore, the orbit accuracies were analyzed from the discrepancy of overlapping arcs and satellite laser range (SLR) residuals. The results showed that the average three-dimensional root-mean-square error (3D RMS) of one-day overlapping arcs for BDS-3 experimental satellites (C31, C32, C33, and C34) acquired by NES and SS are 31.0, 36.0, 40.3, and 50.1 cm, and 34.6, 39.4, 43.4, and 55.5 cm, respectively; the RMS of SLR residuals are 55.1, 49.6, 61.5, and 70.9 cm and 60.5, 53.6, 65.8, and 73.9 cm, respectively. Finally, one month of observations were used in four schemes of BDS-3 experimental satellite orbit determination to further investigate the reliability and

Accurate structural and spectroscopic characterization of prebiotic molecules: The neutral and cationic acetyl cyanide and their related species.

PubMed

Bellili, A; Linguerri, R; Hochlaf, M; Puzzarini, C

2015-11-14

In an effort to provide an accurate structural and spectroscopic characterization of acetyl cyanide, its two enolic isomers and the corresponding cationic species, state-of-the-art computational methods, and approaches have been employed. The coupled-cluster theory including single and double excitations together with a perturbative treatment of triples has been used as starting point in composite schemes accounting for extrapolation to the complete basis-set limit as well as core-valence correlation effects to determine highly accurate molecular structures, fundamental vibrational frequencies, and rotational parameters. The available experimental data for acetyl cyanide allowed us to assess the reliability of our computations: structural, energetic, and spectroscopic properties have been obtained with an overall accuracy of about, or better than, 0.001 Å, 2 kcal/mol, 1-10 MHz, and 11 cm(-1) for bond distances, adiabatic ionization potentials, rotational constants, and fundamental vibrational frequencies, respectively. We are therefore confident that the highly accurate spectroscopic data provided herein can be useful for guiding future experimental investigations and/or astronomical observations.

Verification of Experimental Techniques for Flow Surface Determination

NASA Technical Reports Server (NTRS)

Lissenden, Cliff J.; Lerch, Bradley A.; Ellis, John R.; Robinson, David N.

1996-01-01

The concept of a yield surface is central to the mathematical formulation of a classical plasticity theory. However, at elevated temperatures, material response can be highly time-dependent, which is beyond the realm of classical plasticity. Viscoplastic theories have been developed for just such conditions. In viscoplastic theories, the flow law is given in terms of inelastic strain rate rather than the inelastic strain increment used in time-independent plasticity. Thus, surfaces of constant inelastic strain rate or flow surfaces are to viscoplastic theories what yield surfaces are to classical plasticity. The purpose of the work reported herein was to validate experimental procedures for determining flow surfaces at elevated temperatures. Since experimental procedures for determining yield surfaces in axial/torsional stress space are well established, they were employed -- except inelastic strain rates were used rather than total inelastic strains. In yield-surface determinations, the use of small-offset definitions of yield minimizes the change of material state and allows multiple loadings to be applied to a single specimen. The key to the experiments reported here was precise, decoupled measurement of axial and torsional strain. With this requirement in mind, the performance of a high-temperature multi-axial extensometer was evaluated by comparing its results with strain gauge results at room temperature. Both the extensometer and strain gauges gave nearly identical yield surfaces (both initial and subsequent) for type 316 stainless steel (316 SS). The extensometer also successfully determined flow surfaces for 316 SS at 650 C. Furthermore, to judge the applicability of the technique for composite materials, yield surfaces were determined for unidirectional tungsten/Kanthal (Fe-Cr-Al).

Determination of nitrogen in coal macerals using electron microprobe technique-experimental procedure

USGS Publications Warehouse

Mastalerz, Maria; Gurba, L.W.

2001-01-01

This paper discusses nitrogen determination with the Cameca SX50 electron microprobe using PCO as an analyzing crystal. A set of conditions using differing accelerating voltages, beam currents, beam sizes, and counting times were tested to determine parameters that would give the most reliable nitrogen determination. The results suggest that, for the instrumentation used, 10 kV, current 20 nA, and a counting time of 20 s provides the most reliable nitrogen determination, with a much lower detection limit than the typical concentration of this element in coal. The study demonstrates that the electron microprobe technique can be used to determine the nitrogen content of coal macerals successfully and accurately. ?? 2001 Elsevier Science B.V. All rights reserved.

Accurate determination of selected pesticides in soya beans by liquid chromatography coupled to isotope dilution mass spectrometry.

PubMed

Huertas Pérez, J F; Sejerøe-Olsen, B; Fernández Alba, A R; Schimmel, H; Dabrio, M

2015-05-01

A sensitive, accurate and simple liquid chromatography coupled with mass spectrometry method for the determination of 10 selected pesticides in soya beans has been developed and validated. The method is intended for use during the characterization of selected pesticides in a reference material. In this process, high accuracy and appropriate uncertainty levels associated to the analytical measurements are of utmost importance. The analytical procedure is based on sample extraction by the use of a modified QuEChERS (quick, easy, cheap, effective, rugged, safe) extraction and subsequent clean-up of the extract with C18, PSA and Florisil. Analytes were separated on a C18 column using gradient elution with water-methanol/2.5 mM ammonium acetate mobile phase, and finally identified and quantified by triple quadrupole mass spectrometry in the multiple reaction monitoring mode (MRM). Reliable and accurate quantification of the analytes was achieved by means of stable isotope-labelled analogues employed as internal standards (IS) and calibration with pure substance solutions containing both, the isotopically labelled and native compounds. Exceptions were made for thiodicarb and malaoxon where the isotopically labelled congeners were not commercially available at the time of analysis. For the quantification of those compounds methomyl-(13)C2(15)N and malathion-D10 were used respectively. The method was validated according to the general principles covered by DG SANCO guidelines. However, validation criteria were set more stringently. Mean recoveries were in the range of 86-103% with RSDs lower than 8.1%. Repeatability and intermediate precision were in the range of 3.9-7.6% and 1.9-8.7% respectively. LODs were theoretically estimated and experimentally confirmed to be in the range 0.001-0.005 mg kg(-1) in the matrix, while LOQs established as the lowest spiking mass fractionation level were in the range 0.01-0.05 mg kg(-1). The method reliably identifies and quantifies the

The accurate assessment of small-angle X-ray scattering data

DOE PAGES

Grant, Thomas D.; Luft, Joseph R.; Carter, Lester G.; ...

2015-01-23

Small-angle X-ray scattering (SAXS) has grown in popularity in recent times with the advent of bright synchrotron X-ray sources, powerful computational resources and algorithms enabling the calculation of increasingly complex models. However, the lack of standardized data-quality metrics presents difficulties for the growing user community in accurately assessing the quality of experimental SAXS data. Here, a series of metrics to quantitatively describe SAXS data in an objective manner using statistical evaluations are defined. These metrics are applied to identify the effects of radiation damage, concentration dependence and interparticle interactions on SAXS data from a set of 27 previously described targetsmore » for which high-resolution structures have been determined via X-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy. Studies show that these metrics are sufficient to characterize SAXS data quality on a small sample set with statistical rigor and sensitivity similar to or better than manual analysis. The development of data-quality analysis strategies such as these initial efforts is needed to enable the accurate and unbiased assessment of SAXS data quality.« less

Recent advances in thermal desorption-gas chromatography-mass spectrometery method to eliminate the matrix effect between air and water samples: application to the accurate determination of Henry's law constant.

PubMed

Kim, Yong-Hyun; Kim, Ki-Hyun

2014-05-16

Accurate values for the Henry's law constants are essential to describe the environmental dynamics of a solute, but substantial errors are recognized in many reported data due to practical difficulties in measuring solubility and/or vapor pressure. Despite such awareness, validation of experimental approaches has scarcely been made. An experimental approach based on thermal desorption-gas chromatography-mass spectrometery (TD-GC-MS) method was developed to concurrently allow the accurate determination of target compounds from the headspace and aqueous samples in closed equilibrated system. The analysis of six aromatics and eight non-aromatic oxygenates was then carried out in a static headspace mode. An estimation of the potential bias and mass balance (i.e., sum of mass measured individually from gas and liquid phases vs. the mass initially added to the system) demonstrates compound-specific phase dependency so that the best results are obtained by aqueous (less soluble aromatics) and headspace analysis (more soluble non-aromatics). Accordingly, we were able to point to the possible sources of biases in previous studies and provide the best estimates for the Henry's constants (Matm(-1)): benzene (0.17), toluene (0.15), p-xylene (0.13), m-xylene (0.13), o-xylene (0.19), styrene (0.27); propionaldehyde (9.26), butyraldehyde (6.19), isovaleraldehyde (2.14), n-valeraldehyde (3.98), methyl ethyl ketone (10.5), methyl isobutyl ketone (3.93), n-butyl acetate (2.41), and isobutyl alcohol (22.2). Copyright © 2014 Elsevier B.V. All rights reserved.

Accurate Construction of Photoactivated Localization Microscopy (PALM) Images for Quantitative Measurements

PubMed Central

Coltharp, Carla; Kessler, Rene P.; Xiao, Jie

2012-01-01

Localization-based superresolution microscopy techniques such as Photoactivated Localization Microscopy (PALM) and Stochastic Optical Reconstruction Microscopy (STORM) have allowed investigations of cellular structures with unprecedented optical resolutions. One major obstacle to interpreting superresolution images, however, is the overcounting of molecule numbers caused by fluorophore photoblinking. Using both experimental and simulated images, we determined the effects of photoblinking on the accurate reconstruction of superresolution images and on quantitative measurements of structural dimension and molecule density made from those images. We found that structural dimension and relative density measurements can be made reliably from images that contain photoblinking-related overcounting, but accurate absolute density measurements, and consequently faithful representations of molecule counts and positions in cellular structures, require the application of a clustering algorithm to group localizations that originate from the same molecule. We analyzed how applying a simple algorithm with different clustering thresholds (tThresh and dThresh) affects the accuracy of reconstructed images, and developed an easy method to select optimal thresholds. We also identified an empirical criterion to evaluate whether an imaging condition is appropriate for accurate superresolution image reconstruction with the clustering algorithm. Both the threshold selection method and imaging condition criterion are easy to implement within existing PALM clustering algorithms and experimental conditions. The main advantage of our method is that it generates a superresolution image and molecule position list that faithfully represents molecule counts and positions within a cellular structure, rather than only summarizing structural properties into ensemble parameters. This feature makes it particularly useful for cellular structures of heterogeneous densities and irregular geometries, and

Experimentally Determining β-Decay Intensities for 103,104Nb to Improve R-process Calculations

NASA Astrophysics Data System (ADS)

Gombas, J.; Deyoung, P. D.; Spyrou, A.; Dombos, A. C.; Lyons, S.; SuN Collaboration

2017-09-01

The rapid neutron capture process (r-process) is responsible for the formation of nuclei heavier than iron. This process is theorized to occur in supernovas and/or neutron star mergers. R-process calculations require the accurate knowledge of a significant amount of nuclear properties, the majority of which are not known experimentally. Nuclear masses, β-decay properties and neutron-capture reactions are all input ingredients into r-process models. This present study focuses on the β decay of 103Nb and 104Nb. The β decay of 103Nb and 104Nb, two nuclei found in the r-process, were observed at the NSCL using the Summing NaI (SuN) detector. An unstable beam implanted inside SuN. The γ rays were measured in coincidence with the emitted electrons. The β-decay intensity function was then extracted. The experimentally determined functions for 103Nb and 104Nb will be compared to predictions made by the Quasi Random Phase Approximation (QRPA) model. These theoretical calculations are used in astrophysical models of the r-process. This comparison will lead to a better understanding of the nuclear structure for 103Nb and 104Nb. A more dependable prediction of the formation of heavier nuclei birthed from supernovas or neutron star mergers can then be made. This material is based upon work supported by the National Science Foundation under Grant No. PHY-1613188 and PHY-1306074, and by the Hope College Department of Physics Guess Research Fund.

Patterns of shading tolerance determined from experimental light reduction studies of seagrasses

EPA Science Inventory

An extensive review of the experimental literature on seagrass shading evaluated the relationship between experimental light reductions, duration of experiment and seagrass response metrics to determine whether there were consistent statistical patterns. There were highly signif...

A Combined Experimental and Computational Study on Selected Physical Properties of Aminosilicones

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

Perry, RJ; Genovese, SE; Farnum, RL

2014-01-29

A number of physical properties of aminosilicones have been determined experimentally and predicted computationally. It was found that COSMO-RS predicted the densities of the materials under study to within about 4% of the experimentally determined values. Vapor pressure measurements were performed, and all of the aminosilicones of interest were found to be significantly less volatile than the benchmark MEA material. COSMO-RS was reasonably accurate for predicting the vapor pressures for aminosilicones that were thermally stable. The heat capacities of all aminosilicones tested were between 2.0 and 2.3 J/(g.degrees C); again substantially lower than a benchmark 30% aqueous MEA solution. Surfacemore » energies for the aminosilicones were found to be 23.3-28.3 dyne/cm and were accurately predicted using the parachor method.« less

Time-Accurate Simulations and Acoustic Analysis of Slat Free-Shear Layer

NASA Technical Reports Server (NTRS)

Khorrami, Mehdi R.; Singer, Bart A.; Berkman, Mert E.

2001-01-01

A detailed computational aeroacoustic analysis of a high-lift flow field is performed. Time-accurate Reynolds Averaged Navier-Stokes (RANS) computations simulate the free shear layer that originates from the slat cusp. Both unforced and forced cases are studied. Preliminary results show that the shear layer is a good amplifier of disturbances in the low to mid-frequency range. The Ffowcs-Williams and Hawkings equation is solved to determine the acoustic field using the unsteady flow data from the RANS calculations. The noise radiated from the excited shear layer has a spectral shape qualitatively similar to that obtained from measurements in a corresponding experimental study of the high-lift system.

Nonexposure Accurate Location K-Anonymity Algorithm in LBS

PubMed Central

2014-01-01

This paper tackles location privacy protection in current location-based services (LBS) where mobile users have to report their exact location information to an LBS provider in order to obtain their desired services. Location cloaking has been proposed and well studied to protect user privacy. It blurs the user's accurate coordinate and replaces it with a well-shaped cloaked region. However, to obtain such an anonymous spatial region (ASR), nearly all existent cloaking algorithms require knowing the accurate locations of all users. Therefore, location cloaking without exposing the user's accurate location to any party is urgently needed. In this paper, we present such two nonexposure accurate location cloaking algorithms. They are designed for K-anonymity, and cloaking is performed based on the identifications (IDs) of the grid areas which were reported by all the users, instead of directly on their accurate coordinates. Experimental results show that our algorithms are more secure than the existent cloaking algorithms, need not have all the users reporting their locations all the time, and can generate smaller ASR. PMID:24605060

Determining Mutation Rates in Bacterial Populations

PubMed Central

Rosche, William A.; Foster, Patricia L.

2010-01-01

When properly determined, spontaneous mutation rates are a more accurate and biologically meaningful reflection of the underlying mutagenic mechanism than are mutation frequencies. Because bacteria grow exponentially and mutations arise stochastically, methods to estimate mutation rates depend on theoretical models that describe the distribution of mutant numbers among parallel cultures, as in the original Luria-Delbrück fluctuation analysis. An accurate determination of mutation rate depends on understanding the strengths and limitations of these methods, and how to design fluctuation assays to optimize a given method. In this paper we describe a number of methods to estimate mutation rates, give brief accounts of their derivations, and discuss how they behave under various experimental conditions. PMID:10610800

Linear signal noise summer accurately determines and controls S/N ratio

NASA Technical Reports Server (NTRS)

Sundry, J. L.

1966-01-01

Linear signal noise summer precisely controls the relative power levels of signal and noise, and mixes them linearly in accurately known ratios. The S/N ratio accuracy and stability are greatly improved by this technique and are attained simultaneously.

Accurate determination of the binding energy of the formic acid dimer: The importance of geometry relaxation

NASA Astrophysics Data System (ADS)

Kalescky, Robert; Kraka, Elfi; Cremer, Dieter

2014-02-01

The formic acid dimer in its C2h-symmetrical cyclic form is stabilized by two equivalent H-bonds. The currently accepted interaction energy is 18.75 kcal/mol whereas the experimental binding energy D0 value is only 14.22 ±0.12 kcal/mol [F. Kollipost, R. W. Larsen, A. V. Domanskaya, M. Nörenberg, and M. A. Suhm, J. Chem. Phys. 136, 151101 (2012)]. Calculation of the binding energies De and D0 at the CCSD(T) (Coupled Cluster with Single and Double excitations and perturbative Triple excitations)/CBS (Complete Basis Set) level of theory, utilizing CCSD(T)/CBS geometries and the frequencies of the dimer and monomer, reveals that there is a 3.2 kcal/mol difference between interaction energy and binding energy De, which results from (i) not relaxing the geometry of the monomers upon dissociation of the dimer and (ii) approximating CCSD(T) correlation effects with MP2. The most accurate CCSD(T)/CBS values obtained in this work are De = 15.55 and D0 = 14.32 kcal/mol where the latter binding energy differs from the experimental value by 0.1 kcal/mol. The necessity of employing augmented VQZ and VPZ calculations and relaxing monomer geometries of H-bonded complexes upon dissociation to obtain reliable binding energies is emphasized.

An Accurate Mass Determination for Kepler-1655b, a Moderately Irradiated World with a Significant Volatile Envelope

NASA Astrophysics Data System (ADS)

Haywood, Raphaëlle D.; Vanderburg, Andrew; Mortier, Annelies; Giles, Helen A. C.; López-Morales, Mercedes; Lopez, Eric D.; Malavolta, Luca; Charbonneau, David; Collier Cameron, Andrew; Coughlin, Jeffrey L.; Dressing, Courtney D.; Nava, Chantanelle; Latham, David W.; Dumusque, Xavier; Lovis, Christophe; Molinari, Emilio; Pepe, Francesco; Sozzetti, Alessandro; Udry, Stéphane; Bouchy, François; Johnson, John A.; Mayor, Michel; Micela, Giusi; Phillips, David; Piotto, Giampaolo; Rice, Ken; Sasselov, Dimitar; Ségransan, Damien; Watson, Chris; Affer, Laura; Bonomo, Aldo S.; Buchhave, Lars A.; Ciardi, David R.; Fiorenzano, Aldo F.; Harutyunyan, Avet

2018-05-01

We present the confirmation of a small, moderately irradiated (F = 155 ± 7 F ⊕) Neptune with a substantial gas envelope in a P = 11.8728787 ± 0.0000085 day orbit about a quiet, Sun-like G0V star Kepler-1655. Based on our analysis of the Kepler light curve, we determined Kepler-1655b’s radius to be 2.213 ± 0.082 R ⊕. We acquired 95 high-resolution spectra with Telescopio Nazionale Galileo/HARPS-N, enabling us to characterize the host star and determine an accurate mass for Kepler-1655b of 5.0{+/- }2.83.1 {M}\\oplus via Gaussian-process regression. Our mass determination excludes an Earth-like composition with 98% confidence. Kepler-1655b falls on the upper edge of the evaporation valley, in the relatively sparsely occupied transition region between rocky and gas-rich planets. It is therefore part of a population of planets that we should actively seek to characterize further.

Z-scan theoretical and experimental studies for accurate measurements of the nonlinear refractive index and absorption of optical glasses near damage threshold

NASA Astrophysics Data System (ADS)

Olivier, Thomas; Billard, Franck; Akhouayri, Hassan

2004-06-01

Self-focusing is one of the dramatic phenomena that may occur during the propagation of a high power laser beam in a nonlinear material. This phenomenon leads to a degradation of the wave front and may also lead to a photoinduced damage of the material. Realistic simulations of the propagation of high power laser beams require an accurate knowledge of the nonlinear refractive index γ. In the particular case of fused silica and in the nanosecond regime, it seems that electronic mechanisms as well as electrostriction and thermal effects can lead to a significant refractive index variation. Compared to the different methods used to measure this parmeter, the Z-scan method is simple, offers a good sensitivity and may give absolute measurements if the incident beam is accurately studied. However, this method requires a very good knowledge of the incident beam and of its propagation inside a nonlinear sample. We used a split-step propagation algorithm to simlate Z-scan curves for arbitrary beam shape, sample thickness and nonlinear phase shift. According to our simulations and a rigorous analysis of the Z-scan measured signal, it appears that some abusive approximations lead to very important errors. Thus, by reducing possible errors on the interpretation of Z-scan experimental studies, we performed accurate measurements of the nonlinear refractive index of fused silica that show the significant contribution of nanosecond mechanisms.

Tau-independent Phase Analysis: A Novel Method for Accurately Determining Phase Shifts.

PubMed

Tackenberg, Michael C; Jones, Jeff R; Page, Terry L; Hughey, Jacob J

2018-06-01

Estimations of period and phase are essential in circadian biology. While many techniques exist for estimating period, comparatively few methods are available for estimating phase. Current approaches to analyzing phase often vary between studies and are sensitive to coincident changes in period and the stage of the circadian cycle at which the stimulus occurs. Here we propose a new technique, tau-independent phase analysis (TIPA), for quantifying phase shifts in multiple types of circadian time-course data. Through comprehensive simulations, we show that TIPA is both more accurate and more precise than the standard actogram approach. TIPA is computationally simple and therefore will enable accurate and reproducible quantification of phase shifts across multiple subfields of chronobiology.

The Effect of Starspots on Accurate Radius Determination of the Low-Mass Double-Lined Eclipsing Binary Gu Boo

NASA Astrophysics Data System (ADS)

Windmiller, G.; Orosz, J. A.; Etzel, P. B.

2010-04-01

GU Boo is one of only a relatively small number of well-studied double-lined eclipsing binaries that contain low-mass stars. López-Morales & Ribas present a comprehensive analysis of multi-color light and radial velocity curves for this system. The GU Boo light curves presented by López-Morales & Ribas had substantial asymmetries, which were attributed to large spots. In spite of the asymmetry, López-Morales & Ribas derived masses and radii accurate to sime2%. We obtained additional photometry of GU Boo using both a CCD and a single-channel photometer and modeled the light curves with the ELC software to determine if the large spots in the light curves give rise to systematic errors at the few percent level. We also modeled the original light curves from the work of López-Morales & Ribas using models with and without spots. We derived a radius of the primary of 0.6329 ± 0.0026 R sun, 0.6413 ± 0.0049 R sun, and 0.6373 ± 0.0029 R sun from the CCD, photoelectric, and López-Morales & Ribas data, respectively. Each of these measurements agrees with the value reported by López-Morales & Ribas (R 1 = 0.623 ± 0.016 R sun) at the level of ≈2%. In addition, the spread in these values is ≈1%-2% from the mean. For the secondary, we derive radii of 0.6074 ± 0.0035 R sun, 0.5944 ± 0.0069 R sun, and 0.5976 ± 0.0059 R sun from the three respective data sets. The López-Morales & Ribas value is R 2 = 0.620 ± 0.020 R sun, which is ≈2%-3% larger than each of the three values we found. The spread in these values is ≈2% from the mean. The systematic difference between our three determinations of the secondary radius and that of López-Morales & Ribas might be attributed to differences in the modeling process and codes used. Our own fits suggest that, for GU Boo at least, using accurate spot modeling of a single set of multi-color light curves results in radii determinations accurate at the ≈2% level.

THE EFFECT OF STARSPOTS ON ACCURATE RADIUS DETERMINATION OF THE LOW-MASS DOUBLE-LINED ECLIPSING BINARY GU Boo

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

Windmiller, G.; Orosz, J. A.; Etzel, P. B., E-mail: windmill@rohan.sdsu.ed, E-mail: orosz@sciences.sdsu.ed, E-mail: etzel@sciences.sdsu.ed

2010-04-01

GU Boo is one of only a relatively small number of well-studied double-lined eclipsing binaries that contain low-mass stars. Lopez-Morales and Ribas present a comprehensive analysis of multi-color light and radial velocity curves for this system. The GU Boo light curves presented by Lopez-Morales and Ribas had substantial asymmetries, which were attributed to large spots. In spite of the asymmetry, Lopez-Morales and Ribas derived masses and radii accurate to {approx_equal}2%. We obtained additional photometry of GU Boo using both a CCD and a single-channel photometer and modeled the light curves with the ELC software to determine if the large spotsmore » in the light curves give rise to systematic errors at the few percent level. We also modeled the original light curves from the work of Lopez-Morales and Ribas using models with and without spots. We derived a radius of the primary of 0.6329 +- 0.0026 R{sub sun}, 0.6413 +- 0.0049 R{sub sun}, and 0.6373 +- 0.0029 R{sub sun} from the CCD, photoelectric, and Lopez-Morales and Ribas data, respectively. Each of these measurements agrees with the value reported by Lopez-Morales and Ribas (R{sub 1} = 0.623 +- 0.016 R{sub sun}) at the level of {approx}2%. In addition, the spread in these values is {approx}1%-2% from the mean. For the secondary, we derive radii of 0.6074 +- 0.0035 R{sub sun}, 0.5944 +- 0.0069 R{sub sun}, and 0.5976 +- 0.0059 R{sub sun} from the three respective data sets. The Lopez-Morales and Ribas value is R{sub 2} = 0.620 +- 0.020 R{sub sun}, which is {approx}2%-3% larger than each of the three values we found. The spread in these values is {approx}2% from the mean. The systematic difference between our three determinations of the secondary radius and that of Lopez-Morales and Ribas might be attributed to differences in the modeling process and codes used. Our own fits suggest that, for GU Boo at least, using accurate spot modeling of a single set of multi-color light curves results in radii

Fuzzy Reasoning to More Accurately Determine Void Areas on Optical Micrographs of Composite Structures

NASA Technical Reports Server (NTRS)

Dominquez, Jesus A.; Tate, Lanetra C.; Wright, M. Clara; Caraccio, Anne

2013-01-01

Accomplishing the best-performing composite matrix (resin) requires that not only the processing method but also the cure cycle generate low-void-content structures. If voids are present, the performance of the composite matrix will be significantly reduced. This is usually noticed by significant reductions in matrix-dominated properties, such as compression and shear strength. Voids in composite materials are areas that are absent of the composite components: matrix and fibers. The characteristics of the voids and their accurate estimation are critical to determine for high performance composite structures. One widely used method of performing void analysis on a composite structure sample is acquiring optical micrographs or Scanning Electron Microscope (SEM) images of lateral sides of the sample and retrieving the void areas within the micrographs/images using an image analysis technique. Segmentation for the retrieval and subsequent computation of void areas within the micrographs/images is challenging as the gray-scaled values of the void areas are close to the gray-scaled values of the matrix leading to the need of manually performing the segmentation based on the histogram of the micrographs/images to retrieve the void areas. The use of an algorithm developed by NASA and based on Fuzzy Reasoning (FR) proved to overcome the difficulty of suitably differentiate void and matrix image areas with similar gray-scaled values leading not only to a more accurate estimation of void areas on composite matrix micrographs but also to a faster void analysis process as the algorithm is fully autonomous.

Platelet Counts in Insoluble Platelet-Rich Fibrin Clots: A Direct Method for Accurate Determination.

PubMed

Kitamura, Yutaka; Watanabe, Taisuke; Nakamura, Masayuki; Isobe, Kazushige; Kawabata, Hideo; Uematsu, Kohya; Okuda, Kazuhiro; Nakata, Koh; Tanaka, Takaaki; Kawase, Tomoyuki

2018-01-01

Platelet-rich fibrin (PRF) clots have been used in regenerative dentistry most often, with the assumption that growth factor levels are concentrated in proportion to the platelet concentration. Platelet counts in PRF are generally determined indirectly by platelet counting in other liquid fractions. This study shows a method for direct estimation of platelet counts in PRF. To validate this method by determination of the recovery rate, whole-blood samples were obtained with an anticoagulant from healthy donors, and platelet-rich plasma (PRP) fractions were clotted with CaCl 2 by centrifugation and digested with tissue-plasminogen activator. Platelet counts were estimated before clotting and after digestion using an automatic hemocytometer. The method was then tested on PRF clots. The quality of platelets was examined by scanning electron microscopy and flow cytometry. In PRP-derived fibrin matrices, the recovery rate of platelets and white blood cells was 91.6 and 74.6%, respectively, after 24 h of digestion. In PRF clots associated with small and large red thrombi, platelet counts were 92.6 and 67.2% of the respective total platelet counts. These findings suggest that our direct method is sufficient for estimating the number of platelets trapped in an insoluble fibrin matrix and for determining that platelets are distributed in PRF clots and red thrombi roughly in proportion to their individual volumes. Therefore, we propose this direct digestion method for more accurate estimation of platelet counts in most types of platelet-enriched fibrin matrix.

Platelet Counts in Insoluble Platelet-Rich Fibrin Clots: A Direct Method for Accurate Determination

PubMed Central

Kitamura, Yutaka; Watanabe, Taisuke; Nakamura, Masayuki; Isobe, Kazushige; Kawabata, Hideo; Uematsu, Kohya; Okuda, Kazuhiro; Nakata, Koh; Tanaka, Takaaki; Kawase, Tomoyuki

2018-01-01

Platelet-rich fibrin (PRF) clots have been used in regenerative dentistry most often, with the assumption that growth factor levels are concentrated in proportion to the platelet concentration. Platelet counts in PRF are generally determined indirectly by platelet counting in other liquid fractions. This study shows a method for direct estimation of platelet counts in PRF. To validate this method by determination of the recovery rate, whole-blood samples were obtained with an anticoagulant from healthy donors, and platelet-rich plasma (PRP) fractions were clotted with CaCl2 by centrifugation and digested with tissue-plasminogen activator. Platelet counts were estimated before clotting and after digestion using an automatic hemocytometer. The method was then tested on PRF clots. The quality of platelets was examined by scanning electron microscopy and flow cytometry. In PRP-derived fibrin matrices, the recovery rate of platelets and white blood cells was 91.6 and 74.6%, respectively, after 24 h of digestion. In PRF clots associated with small and large red thrombi, platelet counts were 92.6 and 67.2% of the respective total platelet counts. These findings suggest that our direct method is sufficient for estimating the number of platelets trapped in an insoluble fibrin matrix and for determining that platelets are distributed in PRF clots and red thrombi roughly in proportion to their individual volumes. Therefore, we propose this direct digestion method for more accurate estimation of platelet counts in most types of platelet-enriched fibrin matrix. PMID:29450197

Strain field determination in III-V heteroepitaxy coupling finite elements with experimental and theoretical techniques at the nanoscale

NASA Astrophysics Data System (ADS)

Florini, Nikoletta; Dimitrakopulos, George P.; Kioseoglou, Joseph; Pelekanos, Nikos T.; Kehagias, Thomas

2017-04-01

We are briefly reviewing the current status of elastic strain field determination in III-V heteroepitaxial nanostructures, linking finite elements (FE) calculations with quantitative nanoscale imaging and atomistic calculation techniques. III-V semiconductor nanostructure systems of various dimensions are evaluated in terms of their importance in photonic and microelectronic devices. As elastic strain distribution inside nano-heterostructures has a significant impact on the alloy composition, and thus their electronic properties, it is important to accurately map its components both at the interface plane and along the growth direction. Therefore, we focus on the determination of the stress-strain fields in III-V heteroepitaxial nanostructures by experimental and theoretical methods with emphasis on the numerical FE method by means of anisotropic continuum elasticity (CE) approximation. Subsequently, we present our contribution to the field by coupling FE simulations on InAs quantum dots (QDs) grown on (211)B GaAs substrate, either uncapped or buried, and GaAs/AlGaAs core-shell nanowires (NWs) grown on (111) Si, with quantitative high-resolution transmission electron microscopy (HRTEM) methods and atomistic molecular dynamics (MD) calculations. Full determination of the elastic strain distribution can be exploited for band gap tailoring of the heterostructures by controlling the content of the active elements, and thus influence the emitted radiation.

Accurate Determination of Soluble Axl by Enzyme-Linked Immunosorbent Assay.

PubMed

Dengler, Mirko; Huber, Heidemarie; Müller, Christian J; Zellmer, Angela; Rauch, Peter; Mikulits, Wolfgang

2016-11-01

Levels of soluble Axl (sAxl) are routinely assessed in human sera by sandwich enzyme-linked immunosorbent assay (ELISA). Although sAxl values are suggested to diagnose different types of disorders, no uniform ELISA method is available, allowing the reliable interassay comparison between results. Furthermore, little is known about the stability of sAxl under storage conditions, which is a relevant parameter for biomedical trials. The evaluation of sAxl stability under various stress conditions and the determination of proper conditions to use the sAxl ELISA for routine clinical applications are of great interest. In this study, serum samples were subjected to freeze-thaw cycles and incubation at different temperatures to analyze the stability of sAxl by ELISA. Dilution and spike-in experiments were carried out to examine the impact of serum and diluent components on the ELISA performance. Various diluents and media were employed to resolve masking effects of the serum. The assay components were further optimized for long-term usability by treatment with stabilizers and validation under temperature stress. Indeed, sAxl showed long-term stability in serum during freeze-thaw cycles and incubation under temperature stress conditions. The dilution experiments revealed that unknown components in the serum caused masking effects that can be reduced by proper dilutions. The assay performance was further increased by using a standardized buffer system to dilute serum samples. Stabilization of coated plates and of streptavidin-horseradish peroxidase allowed long-term storage for up to 6 months. In sum, our data demonstrate proper ELISA conditions, allowing the accurate analysis of sAxl levels in human serum.

Accurate determination of high-risk coronary lesion type by multidetector cardiac computed tomography.

PubMed

Alasnag, Mirvat; Umakanthan, Branavan; Foster, Gary P

2008-07-01

Coronary arteriography (CA) is the standard method to image coronary lesions. Multidetector cardiac computerized tomography (MDCT) provides high-resolution images of coronary arteries, allowing a noninvasive alternative to determine lesion type. To date, no studies have assessed the ability of MDCT to categorize coronary lesion types. The objective of this study was to determine the accuracy of lesion type categorization by MDCT using CA as a reference standard. Patients who underwent both MDCT and CA within 2 months of each other were enrolled. MDCT and CA images were reviewed in a blinded fashion. Lesions were categorized according to the SCAI classification system (Types I-IV). The origin, proximal and middle segments of the major arteries were analyzed. Each segment comprised a data point for comparison. Analysis was performed using the Spearman Correlation Test. Four hundred eleven segments were studied, of which 110 had lesions. The lesion distribution was as follows: 35 left anterior descending (LAD), 29 circumflex (Cx), 31 right coronary artery (RCA), 2 ramus intermedius, 8 diagonal, 4 obtuse marginal and 2 left internal mammary arteries. Correlations between MDCT and CA were significant in all major vessels (LAD, Cx, RCA) (p < 0.001). The overall correlation coefficient was 0.67. Concordance was strong for lesion Types II-IV (97%) and poor for Type I (30%). High-risk coronary lesion types can be accurately categorized by MDCT. This ability may allow MDCT to play an important noninvasive role in the planning of coronary interventions.

Accurate experimental and theoretical comparisons between superconductor-insulator-superconductor mixers showing weak and strong quantum effects

NASA Technical Reports Server (NTRS)

Mcgrath, W. R.; Richards, P. L.; Face, D. W.; Prober, D. E.; Lloyd, F. L.

1988-01-01

A systematic study of the gain and noise in superconductor-insulator-superconductor mixers employing Ta based, Nb based, and Pb-alloy based tunnel junctions was made. These junctions displayed both weak and strong quantum effects at a signal frequency of 33 GHz. The effects of energy gap sharpness and subgap current were investigated and are quantitatively related to mixer performance. Detailed comparisons are made of the mixing results with the predictions of a three-port model approximation to the Tucker theory. Mixer performance was measured with a novel test apparatus which is accurate enough to allow for the first quantitative tests of theoretical noise predictions. It is found that the three-port model of the Tucker theory underestimates the mixer noise temperature by a factor of about 2 for all of the mixers. In addition, predicted values of available mixer gain are in reasonable agreement with experiment when quantum effects are weak. However, as quantum effects become strong, the predicted available gain diverges to infinity, which is in sharp contrast to the experimental results. Predictions of coupled gain do not always show such divergences.

Kinetic approach to degradation mechanisms in polymer solar cells and their accurate lifetime predictions

NASA Astrophysics Data System (ADS)

Arshad, Muhammad Azeem; Maaroufi, AbdelKrim

2018-07-01

A beginning has been made in the present study regarding the accurate lifetime predictions of polymer solar cells. Certain reservations about the conventionally employed temperature accelerated lifetime measurements test for its unworthiness of predicting reliable lifetimes of polymer solar cells are brought into light. Critical issues concerning the accelerated lifetime testing include, assuming reaction mechanism instead of determining it, and relying solely on the temperature acceleration of a single property of material. An advanced approach comprising a set of theoretical models to estimate the accurate lifetimes of polymer solar cells is therefore suggested in order to suitably alternate the accelerated lifetime testing. This approach takes into account systematic kinetic modeling of various possible polymer degradation mechanisms under natural weathering conditions. The proposed kinetic approach is substantiated by its applications on experimental aging data-sets of polymer solar materials/solar cells including, P3HT polymer film, bulk heterojunction (MDMO-PPV:PCBM) and dye-sensitized solar cells. Based on the suggested approach, an efficacious lifetime determination formula for polymer solar cells is derived and tested on dye-sensitized solar cells. Some important merits of the proposed method are also pointed out and its prospective applications are discussed.

Experimental determination of material damping using vibration analyzer

NASA Technical Reports Server (NTRS)

Chowdhury, Mostafiz R.; Chowdhury, Farida

1990-01-01

Structural damping is an important dynamic characteristic of engineering materials that helps to damp vibrations by reducing their amplitudes. In this investigation, an experimental method is illustrated to determine the damping characteristics of engineering materials using a dual channel Fast Fourier Transform (FFT) analyzer. A portable Compaq III computer which houses the analyzer, is used to collect the dynamic responses of three metal rods. Time-domain information is analyzed to obtain the logarithmic decrement of their damping. The damping coefficients are then compared to determine the variation of damping from material to material. The variations of damping from one point to another of the same material, due to a fixed point excitation, and the variable damping at a fixed point due to excitation at different points, are also demonstrated.

Experimental Determination of Physical Properties of DNGU, TNBA, LLM-105, HK-56, and DNP

DTIC Science & Technology

2016-09-01

ARL-TN-0788 ● SEP 2016 US Army Research Laboratory Experimental Determination of Physical Properties of DNGU, TNBA, LLM-105, HK...NOTICES Disclaimers The findings in this report are not to be construed as an official Department of the Army position unless so designated by... Experimental Determination of Physical Properties of DNGU, TNBA, LLM-105, HK-56, and DNP by Rose A Pesce-Rodriguez Weapons and Materials

Accurate van der Waals force field for gas adsorption in porous materials.

PubMed

Sun, Lei; Yang, Li; Zhang, Ya-Dong; Shi, Qi; Lu, Rui-Feng; Deng, Wei-Qiao

2017-09-05

An accurate van der Waals force field (VDW FF) was derived from highly precise quantum mechanical (QM) calculations. Small molecular clusters were used to explore van der Waals interactions between gas molecules and porous materials. The parameters of the accurate van der Waals force field were determined by QM calculations. To validate the force field, the prediction results from the VDW FF were compared with standard FFs, such as UFF, Dreiding, Pcff, and Compass. The results from the VDW FF were in excellent agreement with the experimental measurements. This force field can be applied to the prediction of the gas density (H 2 , CO 2 , C 2 H 4 , CH 4 , N 2 , O 2 ) and adsorption performance inside porous materials, such as covalent organic frameworks (COFs), zeolites and metal organic frameworks (MOFs), consisting of H, B, N, C, O, S, Si, Al, Zn, Mg, Ni, and Co. This work provides a solid basis for studying gas adsorption in porous materials. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Quantitative Determination of Isotope Ratios from Experimental Isotopic Distributions

PubMed Central

Kaur, Parminder; O’Connor, Peter B.

2008-01-01

Isotope variability due to natural processes provides important information for studying a variety of complex natural phenomena from the origins of a particular sample to the traces of biochemical reaction mechanisms. These measurements require high-precision determination of isotope ratios of a particular element involved. Isotope Ratio Mass Spectrometers (IRMS) are widely employed tools for such a high-precision analysis, which have some limitations. This work aims at overcoming the limitations inherent to IRMS by estimating the elemental isotopic abundance from the experimental isotopic distribution. In particular, a computational method has been derived which allows the calculation of 13C/12C ratios from the whole isotopic distributions, given certain caveats, and these calculations are applied to several cases to demonstrate their utility. The limitations of the method in terms of the required number of ions and S/N ratio are discussed. For high-precision estimates of the isotope ratios, this method requires very precise measurement of the experimental isotopic distribution abundances, free from any artifacts introduced by noise, sample heterogeneity, or other experimental sources. PMID:17263354

Discrete sensors distribution for accurate plantar pressure analyses.

PubMed

Claverie, Laetitia; Ille, Anne; Moretto, Pierre

2016-12-01

The aim of this study was to determine the distribution of discrete sensors under the footprint for accurate plantar pressure analyses. For this purpose, two different sensor layouts have been tested and compared, to determine which was the most accurate to monitor plantar pressure with wireless devices in research and/or clinical practice. Ten healthy volunteers participated in the study (age range: 23-58 years). The barycenter of pressures (BoP) determined from the plantar pressure system (W-inshoe®) was compared to the center of pressures (CoP) determined from a force platform (AMTI) in the medial-lateral (ML) and anterior-posterior (AP) directions. Then, the vertical ground reaction force (vGRF) obtained from both W-inshoe® and force platform was compared for both layouts for each subject. The BoP and vGRF determined from the plantar pressure system data showed good correlation (SCC) with those determined from the force platform data, notably for the second sensor organization (ML SCC= 0.95; AP SCC=0.99; vGRF SCC=0.91). The study demonstrates that an adjusted placement of removable sensors is key to accurate plantar pressure analyses. These results are promising for a plantar pressure recording outside clinical or laboratory settings, for long time monitoring, real time feedback or for whatever activity requiring a low-cost system. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.

Accurate determinations of one-bond 13C-13C couplings in 13C-labeled carbohydrates

NASA Astrophysics Data System (ADS)

Azurmendi, Hugo F.; Freedberg, Darón I.

2013-03-01

Carbon plays a central role in the molecular architecture of carbohydrates, yet the availability of accurate methods for 1DCC determination has not been sufficiently explored, despite the importance that such data could play in structural studies of oligo- and polysaccharides. Existing methods require fitting intensity ratios of cross- to diagonal-peaks as a function of the constant-time (CT) in CT-COSY experiments, while other methods utilize measurement of peak separation. The former strategies suffer from complications due to peak overlap, primarily in regions close to the diagonal, while the latter strategies are negatively impacted by the common occurrence of strong coupling in sugars, which requires a reliable assessment of their influence in the context of RDC determination. We detail a 13C-13C CT-COSY method that combines a variation in the CT processed with diagonal filtering to yield 1JCC and RDCs. The strategy, which relies solely on cross-peak intensity modulation, is inspired in the cross-peak nulling method used for JHH determinations, but adapted and extended to applications where, like in sugars, large one-bond 13C-13C couplings coexist with relatively small long-range couplings. Because diagonal peaks are not utilized, overlap problems are greatly alleviated. Thus, one-bond couplings can be determined from different cross-peaks as either active or passive coupling. This results in increased accuracy when more than one determination is available, and in more opportunities to measure a specific coupling in the presence of severe overlap. In addition, we evaluate the influence of strong couplings on the determination of RDCs by computer simulations. We show that individual scalar couplings are notably affected by the presence of strong couplings but, at least for the simple cases studied, the obtained RDC values for use in structural calculations were not, because the errors introduced by strong couplings for the isotropic and oriented phases are very

Experimental determination of lead carbonate solubility at high ionic strengths: A Pitzer model description

DOE PAGES

Xiong, Yongliang

2015-05-06

In this article, solubility measurements of lead carbonate, PbCO 3(cr), cerussite, as a function of total ionic strengths are conducted in the mixtures of NaCl and NaHCO 3 up to I = 1.2 mol•kg –1 and in the mixtures of NaHCO 3 and Na 2CO 3 up to I = 5.2 mol•kg –1, at room temperature (22.5 ± 0.5 °C). The solubility constant (log K sp) for cerussite, PbCO 3(cr) = Pb 2+ + CO 3 2- was determined as –13.76 ± 0.15 (2σ) with a set of Pitzer parameters describing the specific interactions of PbCO 3(aq), Pb(CO 3) 2more » 2-, and Pb(CO 3)Cl – with the bulk-supporting electrolytes, based on the Pitzer model. The model developed in this work can reproduce the experimental results including model-independent solubility values from the literature over a wide range of ionic strengths with satisfactory accuracy. The model is expected to find applications in numerous fields, including the accurate description of chemical behavior of lead in geological repositories, the modeling of formation of oxidized Pb–Zn ore deposits, and the environmental remediation of lead contamination.« less

Accuracy in streamflow measurements on the Fernow Experimental Forest

Treesearch

James W. Hornbeck

1965-01-01

Measurement of streamflow from small watersheds on the Fernow Experimental Forest at Parsons, West Virginia was begun in 1951. Stream-gaging stations are now being operated on 9 watersheds ranging from 29 to 96 acres in size; and 91 watershed-years of record have been collected. To determine how accurately streamflow is being measured at these stations, several of the...

An experimental approach to determine the heat transfer coefficient in directional solidification furnaces

NASA Technical Reports Server (NTRS)

Banan, Mohsen; Gray, Ross T.; Wilcox, William R.

1992-01-01

The heat transfer coefficient between a molten charge and its surroundings in a Bridgman furnace was experimentally determined using in-situ temperature measurement. The ampoule containing an isothermal melt was suddenly moved from a higher temperature zone to a lower temperature zone. The temperature-time history was used in a lumped-capacity cooling model to evaluate the heat transfer coefficient between the charge and the furnace. The experimentally determined heat transfer coefficient was of the same order of magnitude as the theoretical value estimated by standard heat transfer calculations.

Experimental determination of the particle motions associated with the low order acoustic modes in enclosures

NASA Technical Reports Server (NTRS)

Byrne, K. P.; Marshall, S. E.

1983-01-01

A procedure for experimentally determining, in terms of the particle motions, the shapes of the low order acoustic modes in enclosures is described. The procedure is based on finding differentiable functions which approximate the shape functions of the low order acoustic modes when these modes are defined in terms of the acoustic pressure. The differentiable approximating functions are formed from polynomials which are fitted by a least squares procedure to experimentally determined values which define the shapes of the low order acoustic modes in terms of the acoustic pressure. These experimentally determined values are found by a conventional technique in which the transfer functions, which relate the acoustic pressures at an array of points in the enclosure to the volume velocity of a fixed point source, are measured. The gradient of the function which approximates the shape of a particular mode in terms of the acoustic pressure is evaluated to give the mode shape in terms of the particle motion. The procedure was tested by using it to experimentally determine the shapes of the low order acoustic modes in a small rectangular enclosure.

An improved thin film approximation to accurately determine the optical conductivity of graphene from infrared transmittance

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

Weber, J. W.; Bol, A. A.; Sanden, M. C. M. van de

2014-07-07

This work presents an improved thin film approximation to extract the optical conductivity from infrared transmittance in a simple yet accurate way. This approximation takes into account the incoherent reflections from the backside of the substrate. These reflections are shown to have a significant effect on the extracted optical conductivity and hence on derived parameters as carrier mobility and density. By excluding the backside reflections, the error for these parameters for typical chemical vapor deposited (CVD) graphene on a silicon substrate can be as high as 17% and 45% for the carrier mobility and density, respectively. For the mid- andmore » near-infrared, the approximation can be simplified such that the real part of the optical conductivity is extracted without the need for a parameterization of the optical conductivity. This direct extraction is shown for Fourier transform infrared (FTIR) transmittance measurements of CVD graphene on silicon in the photon energy range of 370–7000 cm{sup −1}. From the real part of the optical conductivity, the carrier density, mobility, and number of graphene layers are determined but also residue, originating from the graphene transfer, is detected. FTIR transmittance analyzed with the improved thin film approximation is shown to be a non-invasive, easy, and accurate measurement and analysis method for assessing the quality of graphene and can be used for other 2-D materials.« less

Patterns of shading tolerance determined from experimental ...

EPA Pesticide Factsheets

An extensive review of the experimental literature on seagrass shading evaluated the relationship between experimental light reductions, duration of experiment and seagrass response metrics to determine whether there were consistent statistical patterns. There were highly significant linear relationships of both percent biomass and percent shoot density reduction versus percent light reduction (versus controls), although unexplained variation in the data were high. Duration of exposure affected extent of response for both metrics, but was more clearly a factor in biomass response. Both biomass and shoot density showed linear responses to duration of light reduction for treatments 60%. Unexplained variation was again high, and greater for shoot density than biomass. With few exceptions, regressions of both biomass and shoot density on light reduction for individual species and for genera were statistically significant, but also tended to show high degrees of variability in data. Multivariate regressions that included both percent light reduction and duration of reduction as dependent variables increased the percentage of variation explained in almost every case. Analysis of response data by seagrass life history category (Colonizing, Opportunistic, Persistent) did not yield clearly separate response relationships in most cases. Biomass tended to show somewhat less variation in response to light reduction than shoot density, and of the two, may be the prefe

Accurate mass measurement: terminology and treatment of data.

PubMed

Brenton, A Gareth; Godfrey, A Ruth

2010-11-01

High-resolution mass spectrometry has become ever more accessible with improvements in instrumentation, such as modern FT-ICR and Orbitrap mass spectrometers. This has resulted in an increase in the number of articles submitted for publication quoting accurate mass data. There is a plethora of terms related to accurate mass analysis that are in current usage, many employed incorrectly or inconsistently. This article is based on a set of notes prepared by the authors for research students and staff in our laboratories as a guide to the correct terminology and basic statistical procedures to apply in relation to mass measurement, particularly for accurate mass measurement. It elaborates on the editorial by Gross in 1994 regarding the use of accurate masses for structure confirmation. We have presented and defined the main terms in use with reference to the International Union of Pure and Applied Chemistry (IUPAC) recommendations for nomenclature and symbolism for mass spectrometry. The correct use of statistics and treatment of data is illustrated as a guide to new and existing mass spectrometry users with a series of examples as well as statistical methods to compare different experimental methods and datasets. Copyright © 2010. Published by Elsevier Inc.

Serial fusion of Eulerian and Lagrangian approaches for accurate heart-rate estimation using face videos.

PubMed

Gupta, Puneet; Bhowmick, Brojeshwar; Pal, Arpan

2017-07-01

Camera-equipped devices are ubiquitous and proliferating in the day-to-day life. Accurate heart rate (HR) estimation from the face videos acquired from the low cost cameras in a non-contact manner, can be used in many real-world scenarios and hence, require rigorous exploration. This paper has presented an accurate and near real-time HR estimation system using these face videos. It is based on the phenomenon that the color and motion variations in the face video are closely related to the heart beat. The variations also contain the noise due to facial expressions, respiration, eye blinking and environmental factors which are handled by the proposed system. Neither Eulerian nor Lagrangian temporal signals can provide accurate HR in all the cases. The cases where Eulerian temporal signals perform spuriously are determined using a novel poorness measure and then both the Eulerian and Lagrangian temporal signals are employed for better HR estimation. Such a fusion is referred as serial fusion. Experimental results reveal that the error introduced in the proposed algorithm is 1.8±3.6 which is significantly lower than the existing well known systems.

The use of Monte Carlo simulations for accurate dose determination with thermoluminescence dosemeters in radiation therapy beams.

PubMed

Mobit, P

2002-01-01

The energy responses of LiF-TLDs irradiated in megavoltage electron and photon beams have been determined experimentally by many investigators over the past 35 years but the results vary considerably. General cavity theory has been used to model some of the experimental findings but the predictions of these cavity theories differ from each other and from measurements by more than 13%. Recently, two groups or investigators using Monte Carlo simulations and careful experimental techniques showed that the energy response of 1 mm or 2 mm thick LiF-TLD irradiated by megavoltage photon and electron beams is not more than 5% less than unity for low-Z phantom materials like water or Perspex. However, when the depth of irradiation is significantly different from dmax and the TLD size is more than 5 mm, then the energy response is up to 12% less than unity for incident electron beams. Monte Carlo simulations of some of the experiments reported in the literature showed that some of the contradictory experimental results are reproducible with Monte Carlo simulations. Monte Carlo simulations show that the energy response of LiF-TLDs depends on the size of detector used in electron beams, the depth of irradiation and the incident electron energy. Other differences can be attributed to absolute dose determination and precision of the TL technique. Monte Carlo simulations have also been used to evaluate some of the published general cavity theories. The results show that some of the parameters used to evaluate Burlin's general cavity theory are wrong by factor of 3. Despite this, the estimation of the energy response for most clinical situations using Burlin's cavity equation agrees with Monte Carlo simulations within 1%.

Accurate spectroscopic characterization of oxirane: A valuable route to its identification in Titan's atmosphere and the assignment of unidentified infrared bands

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

Puzzarini, Cristina; Biczysko, Malgorzata; Bloino, Julien

2014-04-20

In an effort to provide an accurate spectroscopic characterization of oxirane, state-of-the-art computational methods and approaches have been employed to determine highly accurate fundamental vibrational frequencies and rotational parameters. Available experimental data were used to assess the reliability of our computations, and an accuracy on average of 10 cm{sup –1} for fundamental transitions as well as overtones and combination bands has been pointed out. Moving to rotational spectroscopy, relative discrepancies of 0.1%, 2%-3%, and 3%-4% were observed for rotational, quartic, and sextic centrifugal-distortion constants, respectively. We are therefore confident that the highly accurate spectroscopic data provided herein can be usefulmore » for identification of oxirane in Titan's atmosphere and the assignment of unidentified infrared bands. Since oxirane was already observed in the interstellar medium and some astronomical objects are characterized by very high D/H ratios, we also considered the accurate determination of the spectroscopic parameters for the mono-deuterated species, oxirane-d1. For the latter, an empirical scaling procedure allowed us to improve our computed data and to provide predictions for rotational transitions with a relative accuracy of about 0.02% (i.e., an uncertainty of about 40 MHz for a transition lying at 200 GHz).« less

New experimental methodology, setup and LabView program for accurate absolute thermoelectric power and electrical resistivity measurements between 25 and 1600 K: application to pure copper, platinum, tungsten, and nickel at very high temperatures.

PubMed

Abadlia, L; Gasser, F; Khalouk, K; Mayoufi, M; Gasser, J G

2014-09-01

In this paper we describe an experimental setup designed to measure simultaneously and very accurately the resistivity and the absolute thermoelectric power, also called absolute thermopower or absolute Seebeck coefficient, of solid and liquid conductors/semiconductors over a wide range of temperatures (room temperature to 1600 K in present work). A careful analysis of the existing experimental data allowed us to extend the absolute thermoelectric power scale of platinum to the range 0-1800 K with two new polynomial expressions. The experimental device is controlled by a LabView program. A detailed description of the accurate dynamic measurement methodology is given in this paper. We measure the absolute thermoelectric power and the electrical resistivity and deduce with a good accuracy the thermal conductivity using the relations between the three electronic transport coefficients, going beyond the classical Wiedemann-Franz law. We use this experimental setup and methodology to give new very accurate results for pure copper, platinum, and nickel especially at very high temperatures. But resistivity and absolute thermopower measurement can be more than an objective in itself. Resistivity characterizes the bulk of a material while absolute thermoelectric power characterizes the material at the point where the electrical contact is established with a couple of metallic elements (forming a thermocouple). In a forthcoming paper we will show that the measurement of resistivity and absolute thermoelectric power characterizes advantageously the (change of) phase, probably as well as DSC (if not better), since the change of phases can be easily followed during several hours/days at constant temperature.

New experimental methodology, setup and LabView program for accurate absolute thermoelectric power and electrical resistivity measurements between 25 and 1600 K: Application to pure copper, platinum, tungsten, and nickel at very high temperatures

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

Abadlia, L.; Mayoufi, M.; Gasser, F.

2014-09-15

In this paper we describe an experimental setup designed to measure simultaneously and very accurately the resistivity and the absolute thermoelectric power, also called absolute thermopower or absolute Seebeck coefficient, of solid and liquid conductors/semiconductors over a wide range of temperatures (room temperature to 1600 K in present work). A careful analysis of the existing experimental data allowed us to extend the absolute thermoelectric power scale of platinum to the range 0-1800 K with two new polynomial expressions. The experimental device is controlled by a LabView program. A detailed description of the accurate dynamic measurement methodology is given in thismore » paper. We measure the absolute thermoelectric power and the electrical resistivity and deduce with a good accuracy the thermal conductivity using the relations between the three electronic transport coefficients, going beyond the classical Wiedemann-Franz law. We use this experimental setup and methodology to give new very accurate results for pure copper, platinum, and nickel especially at very high temperatures. But resistivity and absolute thermopower measurement can be more than an objective in itself. Resistivity characterizes the bulk of a material while absolute thermoelectric power characterizes the material at the point where the electrical contact is established with a couple of metallic elements (forming a thermocouple). In a forthcoming paper we will show that the measurement of resistivity and absolute thermoelectric power characterizes advantageously the (change of) phase, probably as well as DSC (if not better), since the change of phases can be easily followed during several hours/days at constant temperature.« less

An integrated CFD/experimental analysis of aerodynamic forces and moments

NASA Technical Reports Server (NTRS)

Melton, John E.; Robertson, David D.; Moyer, Seth A.

1989-01-01

Aerodynamic analysis using computational fluid dynamics (CFD) is most fruitful when it is combined with a thorough program of wind tunnel testing. The understanding of aerodynamic phenomena is enhanced by the synergistic use of both analysis methods. A technique is described for an integrated approach to determining the forces and moments acting on a wind tunnel model by using a combination of experimentally measured pressures and CFD predictions. The CFD code used was FLO57 (an Euler solver) and the wind tunnel model was a heavily instrumented delta wing with 62.5 deg of leading-edge sweep. A thorough comparison of the CFD results and the experimental data is presented for surface pressure distributions and longitudinal forces and moments. The experimental pressures were also integrated over the surface of the model and the resulting forces and moments are compared to the CFD and wind tunnel results. The accurate determination of various drag increments via the combined use of the CFD and experimental pressures is presented in detail.

Accurate experimental determination of the isotope effects on the triple point temperature of water. II. Combined dependence on the 18O and 17O abundances

NASA Astrophysics Data System (ADS)

Faghihi, V.; Kozicki, M.; Aerts-Bijma, A. T.; Jansen, H. G.; Spriensma, J. J.; Peruzzi, A.; Meijer, H. A. J.

2015-12-01

This paper is the second of two articles on the quantification of isotope effects on the triple point temperature of water. In this second article, we address the combined effects of 18O and 17O isotopes. We manufactured five triple point cells with waters with 18O and 17O abundances exceeding widely the natural abundance range while maintaining their natural 18O/17O relationship. The 2H isotopic abundance was kept close to that of VSMOW (Vienna Standard Mean Ocean Water). These cells realized triple point temperatures ranging between  -220 μK to 1420 μK with respect to the temperature realized by a triple point cell filled with VSMOW. Our experiment allowed us to determine an accurate and reliable value for the newly defined combined 18, 17O correction parameter of AO  =  630 μK with a combined uncertainty of 10 μK. To apply this correction, only the 18O abundance of the TPW needs to be known (and the water needs to be of natural origin). Using the results of our two articles, we recommend a correction equation along with the coefficient values for isotopic compositions differing from that of VSMOW and compare the effect of this new equation on a number of triple point cells from the literature and from our own institute. Using our correction equation, the uncertainty in the isotope correction for triple point cell waters used around the world will be  <1 μK.

Experimental Determination of the H2O-undersaturated Peridotite Solidus

NASA Astrophysics Data System (ADS)

Sarafian, E. K.; Gaetani, G. A.; Hauri, E.; Sarafian, A.

2015-12-01

Knowledge of the H2O-undersaturated lherzolite solidus places important constraints on the process of melt generation beneath oceanic spreading centers. While it is generally accepted that the small concentration of H2O (~50-200 ug/g) dissolved in the oceanic upper mantle has a strong influence on the peridotite solidus, but this effect has not been directly determined through experiments. This is because (1) precisely controlling low concentrations of H2O in high-pressure melting experiments is thought to be difficult, (2) small amounts of melt are difficult to identify, and (3) the size of mineral grains that grow in near-solidus experiments is too small to be analyzed for H2O by either Fourier transform infrared (FTIR) spectroscopy or secondary ion mass spectrometry (SIMS). We have developed an experimental approach for determining the peridotite solidus as a function of H2O content that overcomes these difficulties. Our approach utilizes large (~300 um diameter) spheres of San Carlos olivine to monitor the concentration and behavior of H2O in our experiments.. The spheres are mixed in 5:95 proportions with a synthetic peridotite that has the composition of the depleted MORB mantle of Workman and Hart (2005). Partial melting experiments are conducted in is a piston cylinder device using pre-conditioned Au80Pd20 capsules. During an experiment, the H2O content of the San Carlos olivine spheres diffusively equilibrates with the peridotite matrix. After each experiment, the concentration of H2O dissolved in the olivine spheres is determined by secondary ion mass spectrometry. By analyzing the H2O content of the San Carlos olivine spheres and performing a simple mass balance, we can then calculate the amount of H2O in the capsule. The spheres also provides a means to determine the solidus temperature due to the strong partitioning of H2O into silicate melt compared to olivine, pyroxene, and spinel. When a small amount of melt is present the H2O partitions into the

Method of experimental and calculation determination of dissipative properties of carbon

NASA Astrophysics Data System (ADS)

Kazakova, Olga I.; Smolin, Igor Yu.; Bezmozgiy, Iosif M.

2017-12-01

This paper describes the process of definition of relations between the damping ratio and strain/state levels in a material. For these purposes, the experimental-calculation approach was applied. The experimental research was performed on plane composite specimens. The tests were accompanied by finite element modeling using the ANSYS software. Optimization was used as a tool for FEM property setting and for finding the above-mentioned relations. A difference between the calculation and experimental results was accepted as objective functions of this optimization. The optimization cycle was implemented using the pSeven DATADVANCE software platform. The developed approach makes it possible to determine the relations between the damping ratio and strain/state levels in the material, which can be used for computer modeling of the structure response under dynamic loading.

Determination of the three-dimensional structure of oligosaccharides in the solid state from experimental 13C NMR data and ab initio chemical shift surfaces.

PubMed

Sergeyev, Ivan; Moyna, Guillermo

2005-05-02

A novel method for the determination of the three-dimensional (3D) structure of oligosaccharides in the solid state using experimental 13C NMR data is presented. The approach employs this information, combined with 13C chemical shift surfaces (CSSs) for the glycosidic bond carbons in the generation of NMR pseudopotential energy functions suitable for use as constraints in molecular modeling simulations. Application of the method to trehalose, cellobiose, and cellotetraose produces 3D models that agree remarkably well with the reported X-ray structures, with phi and psi dihedral angles that are within 10 degrees from the ones observed in the crystals. The usefulness of the approach is further demonstrated in the determination of the 3D structure of the cellohexaose, an hexasaccharide for which no X-ray data has been reported, as well as in the generation of accurate structural models for cellulose II and amylose V6.

Accurate ab initio binding energies of the benzene dimer.

PubMed

Park, Young Choon; Lee, Jae Shin

2006-04-20

Accurate binding energies of the benzene dimer at the T and parallel displaced (PD) configurations were determined using the single- and double-coupled cluster method with perturbative triple correction (CCSD(T)) with correlation-consistent basis sets and an effective basis set extrapolation scheme recently devised. The difference between the estimated CCSD(T) basis set limit electronic binding energies for the T and PD shapes appears to amount to more than 0.3 kcal/mol, indicating the PD shape is a more stable configuration than the T shape for this dimer in the gas phase. This conclusion is further strengthened when a vibrational zero-point correction to the electronic binding energies of this dimer is made, which increases the difference between the two configurations to 0.4-0.5 kcal/mol. The binding energies of 2.4 and 2.8 kcal/mol for the T and PD configurations are in good accord with the previous experimental result from ionization potential measurement.

Theory of bi-molecular association dynamics in 2D for accurate model and experimental parameterization of binding rates

PubMed Central

Yogurtcu, Osman N.; Johnson, Margaret E.

2015-01-01

The dynamics of association between diffusing and reacting molecular species are routinely quantified using simple rate-equation kinetics that assume both well-mixed concentrations of species and a single rate constant for parameterizing the binding rate. In two-dimensions (2D), however, even when systems are well-mixed, the assumption of a single characteristic rate constant for describing association is not generally accurate, due to the properties of diffusional searching in dimensions d ≤ 2. Establishing rigorous bounds for discriminating between 2D reactive systems that will be accurately described by rate equations with a single rate constant, and those that will not, is critical for both modeling and experimentally parameterizing binding reactions restricted to surfaces such as cellular membranes. We show here that in regimes of intrinsic reaction rate (ka) and diffusion (D) parameters ka/D > 0.05, a single rate constant cannot be fit to the dynamics of concentrations of associating species independently of the initial conditions. Instead, a more sophisticated multi-parametric description than rate-equations is necessary to robustly characterize bimolecular reactions from experiment. Our quantitative bounds derive from our new analysis of 2D rate-behavior predicted from Smoluchowski theory. Using a recently developed single particle reaction-diffusion algorithm we extend here to 2D, we are able to test and validate the predictions of Smoluchowski theory and several other theories of reversible reaction dynamics in 2D for the first time. Finally, our results also mean that simulations of reactive systems in 2D using rate equations must be undertaken with caution when reactions have ka/D > 0.05, regardless of the simulation volume. We introduce here a simple formula for an adaptive concentration dependent rate constant for these chemical kinetics simulations which improves on existing formulas to better capture non-equilibrium reaction dynamics from dilute

Investigation of mass dependence effects for the accurate determination of molybdenum isotope amount ratios by MC-ICP-MS using synthetic isotope mixtures.

PubMed

Malinovsky, Dmitry; Dunn, Philip J H; Petrov, Panayot; Goenaga-Infante, Heidi

2015-01-01

Methodology for absolute Mo isotope amount ratio measurements by multicollector inductively coupled plasma-mass spectrometry (MC-ICP-MS) using calibration with synthetic isotope mixtures (SIMs) is presented. For the first time, synthetic isotope mixtures prepared from seven commercially available isotopically enriched molybdenum metal powders ((92)Mo, (94)Mo, (95)Mo, (96)Mo, (97)Mo, (98)Mo, and (100)Mo) are used to investigate whether instrumental mass discrimination of Mo isotopes in MC-ICP-MS is consistent with mass-dependent isotope distribution. The parent materials were dissolved and mixed as solutions to obtain mixtures with accurately known isotope amount ratios. The level of elemental impurities in the isotopically enriched molybdenum metal powders was quantified by ICP-MS by using both high-resolution and reaction cell instruments to completely resolve spectral interferences. The Mo isotope amount ratio values with expanded uncertainty (k = 2), determined by MC-ICP-MS for a high-purity Mo rod from Johnson Matthey, were as follows: (92)Mo/(95)Mo = 0.9235(9), (94)Mo/(95)Mo = 0.5785(8), (96)Mo/(95)Mo = 1.0503(9), (97)Mo/(95)Mo = 0.6033(6), (98)Mo/(95)Mo = 1.5291(20), and (100)Mo/(95)Mo = 0.6130(7). A full uncertainty budget for the measurements is presented which shows that the largest contribution to the uncertainty budget comes from correction for elemental impurities (∼51%), followed by the contribution from weighing operations (∼26 %). The atomic weight of molybdenum was calculated to be 95.947(2); the uncertainty in parentheses is expanded uncertainty with the coverage factor of 2. A particular advantage of the developed method is that calibration factors for all six Mo isotope amount ratios, involving the (95)Mo isotope, were experimentally determined. This allows avoiding any assumption on mass-dependent isotope fractions in MC-ICP-MS, inherent to the method of double spike previously used for Mo isotope amount ratio

Toward more accurate loss tangent measurements in reentrant cavities

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

Moyer, R. D.

1980-05-01

Karpova has described an absolute method for measurement of dielectric properties of a solid in a coaxial reentrant cavity. His cavity resonance equation yields very accurate results for dielectric constants. However, he presented only approximate expressions for the loss tangent. This report presents more exact expressions for that quantity and summarizes some experimental results.

Experimental investigation of an inversion technique for the determination of broadband duct mode amplitudes by the use of near-field sensor arrays.

PubMed

Castres, Fabrice O; Joseph, Phillip F

2007-08-01

This paper is an experimental investigation of an inverse technique for deducing the amplitudes of the modes radiated from a turbofan engine, including schemes for stablizing the solution. The detection of broadband modes generated by a laboratory-scaled fan inlet is performed using a near-field array of microphones arranged in a geodesic geometry. This array geometry is shown to allow a robust and accurate modal inversion. The sound power radiated from the fan inlet and the coherence function between different modal amplitudes are also presented. The knowledge of such modal content is useful in helping to characterize the source mechanisms of fan broadband noise generation, for determining the most appropriate mode distribution model for duct liner predictions, and for making sound power measurements of the radiated sound field.

Accurate determination of residual acrylic acid in superabsorbent polymer of hygiene products by headspace gas chromatography.

PubMed

Zhang, Shu-Xin; Chai, Xin-Sheng; Jiang, Ran

2017-02-17

This work reports on a method for the determination of residual acrylic acid (AA) in the superabsorbent polymers for hygiene products by headspace analysis. It was based on water extraction for the polymer sample at a room temperature for 50min. Then, the AA in the extractant reacted with bicarbonate solution in a closed headspace sample vial, from which the carbon dioxide generated from the reaction (within 20min at 70°C) was detected by gas chromatography (GC). It was found that there is adsorption partition equilibrium of AA between solid-liquid phases. Therefore, an equation for calculating the total AA content in the original polymers sample was derived based on the above phase equilibrium. The results show that the HS-GC method has good precision (RSD<2.51%) and good accuracy (recoveries from 93 to 105%); the limit of quantification (LOQ) was 373mg/kg. The present method is rapid, accurate, and suitable for determining total residual acrylic acid in a wide variety of applications from processing of superabsorbent polymer to commercial products quality control. Copyright © 2017 Elsevier B.V. All rights reserved.

Rapid, accurate, and direct determination of total lycopene content in tomato paste

NASA Astrophysics Data System (ADS)

Bicanic, D.; Anese, M.; Luterotti, S.; Dadarlat, D.; Gibkes, J.; Lubbers, M.

2003-01-01

Lycopene that imparts red color to the tomato fruit is the most potent antioxidant among carotenes, an important nutrient and also used as a color ingredient in many food formulations. Since cooked and processed foods derived from tomatoes were shown to provide optimal lycopene boost, products such as paste, puree, juice, etc. are nowadays gaining popularity as dietary sources. The analysis of lycopene in tomato paste (partially dehydrated product prepared by vacuum concentrating tomato juice) is carried out using either high pressure liquid chromatography (HPLC), spectrophotometry, or by evaluating the color. The instability of lycopene during processes of extraction, etc., handling, and disposal of organic solvents makes the preparation of a sample for the analysis a delicate task. Despite a recognized need for accurate and rapid assessment of lycopene in tomato products no such method is available at present. The study described here focuses on a direct determination of a total lycopene content in different tomato pastes by means of the laser optothermal window (LOW) method at 502 nm. The concentration of lycopene in tomato paste ranged between 25 and 150 mg per 100 g product; the results are in excellent agreement with those obtained by spectrophotometry. The time needed to complete LOW analysis is very short, so that decomposition of pigment and the formation of artifacts are minimized. Preliminary results indicate a good degree of reproducibility making the LOW method suitable for routine assays of lycopene content in tomato paste.

Diagnostic peritoneal lavage: volume of lavage effluent needed for accurate determination of a negative lavage.

PubMed

Sweeney, J F; Albrink, M H; Bischof, E; McAllister, E W; Rosemurgy, A S

1994-12-01

While the ability of diagnostic peritoneal lavage (DPL) to 'rule out' occult intra-abdominal injuries has been well established, the volume of lavage effluent necessary for accurate prediction of a negative lavage has not been determined. To address this, 60 injured adults with blunt (N = 45) or penetrating (N = 15) trauma undergoing DPL were evaluated prospectively through protocol. After infusion of 1l of Ringer's lactate solution, samples of lavage effluent were obtained at 100 cm3, 250 cm3, 500 cm3, and 759 cm3, and when no more effluent could be returned (final sample). DPL was considered negative if final sample RBC count was < or = 100,000/mm3 for blunt injury and < 50,000/mm3 for penetrating injury. The conclusion is that at 100 cm3 of lavage effluent returned, negative results are highly predictive of a negative DPL (98 per cent), though 250 cm3 of lavage effluent is required to predict a negative DPL uniformly (100 per cent).

Experimental and analytical determination of stability parameters for a balloon tethered in a wind

NASA Technical Reports Server (NTRS)

Redd, L. T.; Bennett, R. M.; Bland, S. R.

1973-01-01

Experimental and analytical techniques for determining stability parameters for a balloon tethered in a steady wind are described. These techniques are applied to a particular 7.64-meter-long balloon, and the results are presented. The stability parameters of interest appear as coefficients in linearized stability equations and are derived from the various forces and moments acting on the balloon. In several cases the results from the experimental and analytical techniques are compared and suggestions are given as to which techniques are the most practical means of determining values for the stability parameters.

Accurate oscillator strengths for interstellar ultraviolet lines of Cl I

NASA Technical Reports Server (NTRS)

Schectman, R. M.; Federman, S. R.; Beideck, D. J.; Ellis, D. J.

1993-01-01

Analyses on the abundance of interstellar chlorine rely on accurate oscillator strengths for ultraviolet transitions. Beam-foil spectroscopy was used to obtain f-values for the astrophysically important lines of Cl I at 1088, 1097, and 1347 A. In addition, the line at 1363 A was studied. Our f-values for 1088, 1097 A represent the first laboratory measurements for these lines; the values are f(1088)=0.081 +/- 0.007 (1 sigma) and f(1097) = 0.0088 +/- 0.0013 (1 sigma). These results resolve the issue regarding the relative strengths for 1088, 1097 A in favor of those suggested by astronomical measurements. For the other lines, our results of f(1347) = 0.153 +/- 0.011 (1 sigma) and f(1363) = 0.055 +/- 0.004 (1 sigma) are the most precisely measured values available. The f-values are somewhat greater than previous experimental and theoretical determinations.

Simple Mathematical Models Do Not Accurately Predict Early SIV Dynamics

PubMed Central

Noecker, Cecilia; Schaefer, Krista; Zaccheo, Kelly; Yang, Yiding; Day, Judy; Ganusov, Vitaly V.

2015-01-01

Upon infection of a new host, human immunodeficiency virus (HIV) replicates in the mucosal tissues and is generally undetectable in circulation for 1–2 weeks post-infection. Several interventions against HIV including vaccines and antiretroviral prophylaxis target virus replication at this earliest stage of infection. Mathematical models have been used to understand how HIV spreads from mucosal tissues systemically and what impact vaccination and/or antiretroviral prophylaxis has on viral eradication. Because predictions of such models have been rarely compared to experimental data, it remains unclear which processes included in these models are critical for predicting early HIV dynamics. Here we modified the “standard” mathematical model of HIV infection to include two populations of infected cells: cells that are actively producing the virus and cells that are transitioning into virus production mode. We evaluated the effects of several poorly known parameters on infection outcomes in this model and compared model predictions to experimental data on infection of non-human primates with variable doses of simian immunodifficiency virus (SIV). First, we found that the mode of virus production by infected cells (budding vs. bursting) has a minimal impact on the early virus dynamics for a wide range of model parameters, as long as the parameters are constrained to provide the observed rate of SIV load increase in the blood of infected animals. Interestingly and in contrast with previous results, we found that the bursting mode of virus production generally results in a higher probability of viral extinction than the budding mode of virus production. Second, this mathematical model was not able to accurately describe the change in experimentally determined probability of host infection with increasing viral doses. Third and finally, the model was also unable to accurately explain the decline in the time to virus detection with increasing viral dose. These results

Highly accurate nephelometric titrimetry.

PubMed

Zhan, Xiancheng; Li, Chengrong; Li, Zhiyi; Yang, Xiucen; Zhong, Shuguang; Yi, Tao

2004-02-01

A method that accurately indicates the end-point of precipitation reactions by the measurement of the relative intensity of the scattered light in the titrate is presented. A new nephelometric titrator with an internal nephelometric sensor has been devised. The work of the titrator including the sensor and change in the turbidity of the titrate and intensity of the scattered light are described. The accuracy of the nephelometric titrimetry is discussed theoretically. The titration of NaCl with AgNO(3) serves as a model. A relative error as well as deviation is within 0.2% under the experimental conditions. The applicability of the titrimetry in pharmaceutical analyses, for example, phenytoin sodium and procaine hydrochloride, is generally illustrated. Copyright 2004 Wiley-Liss, Inc. and the American Pharmacists Association

A hybrid experimental-numerical technique for determining 3D velocity fields from planar 2D PIV data

NASA Astrophysics Data System (ADS)

Eden, A.; Sigurdson, M.; Mezić, I.; Meinhart, C. D.

2016-09-01

Knowledge of 3D, three component velocity fields is central to the understanding and development of effective microfluidic devices for lab-on-chip mixing applications. In this paper we present a hybrid experimental-numerical method for the generation of 3D flow information from 2D particle image velocimetry (PIV) experimental data and finite element simulations of an alternating current electrothermal (ACET) micromixer. A numerical least-squares optimization algorithm is applied to a theory-based 3D multiphysics simulation in conjunction with 2D PIV data to generate an improved estimation of the steady state velocity field. This 3D velocity field can be used to assess mixing phenomena more accurately than would be possible through simulation alone. Our technique can also be used to estimate uncertain quantities in experimental situations by fitting the gathered field data to a simulated physical model. The optimization algorithm reduced the root-mean-squared difference between the experimental and simulated velocity fields in the target region by more than a factor of 4, resulting in an average error less than 12% of the average velocity magnitude.

Predicting repeat protein folding kinetics from an experimentally determined folding energy landscape

PubMed Central

Street, Timothy O; Barrick, Doug

2009-01-01

The Notch ankyrin domain is a repeat protein whose folding has been characterized through equilibrium and kinetic measurements. In previous work, equilibrium folding free energies of truncated constructs were used to generate an experimentally determined folding energy landscape (Mello and Barrick, Proc Natl Acad Sci USA 2004;101:14102–14107). Here, this folding energy landscape is used to parameterize a kinetic model in which local transition probabilities between partly folded states are based on energy values from the landscape. The landscape-based model correctly predicts highly diverse experimentally determined folding kinetics of the Notch ankyrin domain and sequence variants. These predictions include monophasic folding and biphasic unfolding, curvature in the unfolding limb of the chevron plot, population of a transient unfolding intermediate, relative folding rates of 19 variants spanning three orders of magnitude, and a change in the folding pathway that results from C-terminal stabilization. These findings indicate that the folding pathway(s) of the Notch ankyrin domain are thermodynamically selected: the primary determinants of kinetic behavior can be simply deduced from the local stability of individual repeats. PMID:19177351

On the precision of experimentally determined protein folding rates and φ-values

PubMed Central

De Los Rios, Miguel A.; Muralidhara, B.K.; Wildes, David; Sosnick, Tobin R.; Marqusee, Susan; Wittung-Stafshede, Pernilla; Plaxco, Kevin W.; Ruczinski, Ingo

2006-01-01

φ-Values, a relatively direct probe of transition-state structure, are an important benchmark in both experimental and theoretical studies of protein folding. Recently, however, significant controversy has emerged regarding the reliability with which φ-values can be determined experimentally: Because φ is a ratio of differences between experimental observables it is extremely sensitive to errors in those observations when the differences are small. Here we address this issue directly by performing blind, replicate measurements in three laboratories. By monitoring within- and between-laboratory variability, we have determined the precision with which folding rates and φ-values are measured using generally accepted laboratory practices and under conditions typical of our laboratories. We find that, unless the change in free energy associated with the probing mutation is quite large, the precision of φ-values is relatively poor when determined using rates extrapolated to the absence of denaturant. In contrast, when we employ rates estimated at nonzero denaturant concentrations or assume that the slopes of the chevron arms (mf and mu) are invariant upon mutation, the precision of our estimates of φ is significantly improved. Nevertheless, the reproducibility we thus obtain still compares poorly with the confidence intervals typically reported in the literature. This discrepancy appears to arise due to differences in how precision is calculated, the dependence of precision on the number of data points employed in defining a chevron, and interlaboratory sources of variability that may have been largely ignored in the prior literature. PMID:16501226

Can numerical simulations accurately predict hydrodynamic instabilities in liquid films?

NASA Astrophysics Data System (ADS)

Denner, Fabian; Charogiannis, Alexandros; Pradas, Marc; van Wachem, Berend G. M.; Markides, Christos N.; Kalliadasis, Serafim

2014-11-01

Understanding the dynamics of hydrodynamic instabilities in liquid film flows is an active field of research in fluid dynamics and non-linear science in general. Numerical simulations offer a powerful tool to study hydrodynamic instabilities in film flows and can provide deep insights into the underlying physical phenomena. However, the direct comparison of numerical results and experimental results is often hampered by several reasons. For instance, in numerical simulations the interface representation is problematic and the governing equations and boundary conditions may be oversimplified, whereas in experiments it is often difficult to extract accurate information on the fluid and its behavior, e.g. determine the fluid properties when the liquid contains particles for PIV measurements. In this contribution we present the latest results of our on-going, extensive study on hydrodynamic instabilities in liquid film flows, which includes direct numerical simulations, low-dimensional modelling as well as experiments. The major focus is on wave regimes, wave height and wave celerity as a function of Reynolds number and forcing frequency of a falling liquid film. Specific attention is paid to the differences in numerical and experimental results and the reasons for these differences. The authors are grateful to the EPSRC for their financial support (Grant EP/K008595/1).

Accurate Structural Correlations from Maximum Likelihood Superpositions

PubMed Central

Theobald, Douglas L; Wuttke, Deborah S

2008-01-01

The cores of globular proteins are densely packed, resulting in complicated networks of structural interactions. These interactions in turn give rise to dynamic structural correlations over a wide range of time scales. Accurate analysis of these complex correlations is crucial for understanding biomolecular mechanisms and for relating structure to function. Here we report a highly accurate technique for inferring the major modes of structural correlation in macromolecules using likelihood-based statistical analysis of sets of structures. This method is generally applicable to any ensemble of related molecules, including families of nuclear magnetic resonance (NMR) models, different crystal forms of a protein, and structural alignments of homologous proteins, as well as molecular dynamics trajectories. Dominant modes of structural correlation are determined using principal components analysis (PCA) of the maximum likelihood estimate of the correlation matrix. The correlations we identify are inherently independent of the statistical uncertainty and dynamic heterogeneity associated with the structural coordinates. We additionally present an easily interpretable method (“PCA plots”) for displaying these positional correlations by color-coding them onto a macromolecular structure. Maximum likelihood PCA of structural superpositions, and the structural PCA plots that illustrate the results, will facilitate the accurate determination of dynamic structural correlations analyzed in diverse fields of structural biology. PMID:18282091

Experimentally determined stiffness and damping of an inherently compensated air squeeze-film damper

NASA Technical Reports Server (NTRS)

Cunningham, R. E.

1975-01-01

Values of damping and stiffness were determined experimentally for an externally pressurized, inherently compensated, compressible squeeze-film damper up to excitation frequencies of 36,000 cycles per minute. Experimental damping values were higher than theory predicted at low squeeze numbers and less than predicted at high squeeze numbers. Experimental values of air film stiffness were less than theory predicted at low squeeze numbers and much greater at higher squeeze numbers. Results also indicate sufficient damping to attenuate amplitudes and forces at the critical speed when using three dampers in the flexible support system of a small, lightweight turborotor.

Caregiver's Country of Birth Is a Significant Determinant of Accurate Perception of Preschool-Age Children's Weight

ERIC Educational Resources Information Center

Natale, Ruby; Uhlhorn, Susan B.; Lopez-Mitnik, Gabriela; Camejo, Stephanie; Englebert, Nicole; Delamater, Alan M.; Messiah, Sarah E.

2016-01-01

Background: One in four preschool-age children in the United States are currently overweight or obese. Previous studies have shown that caregivers of this age group often have difficulty accurately recognizing their child's weight status. The purpose of this study was to examine factors associated with accurate/inaccurate perception of child body…

Fast, Computer Supported Experimental Determination of Absolute Zero Temperature at School

ERIC Educational Resources Information Center

Bogacz, Bogdan F.; Pedziwiatr, Antoni T.

2014-01-01

A simple and fast experimental method of determining absolute zero temperature is presented. Air gas thermometer coupled with pressure sensor and data acquisition system COACH is applied in a wide range of temperature. By constructing a pressure vs temperature plot for air under constant volume it is possible to obtain--by extrapolation to zero…

Mobility-based correction for accurate determination of binding constants by capillary electrophoresis-frontal analysis.

PubMed

Qian, Cheng; Kovalchik, Kevin A; MacLennan, Matthew S; Huang, Xiaohua; Chen, David D Y

2017-06-01

Capillary electrophoresis frontal analysis (CE-FA) can be used to determine binding affinity of molecular interactions. However, its current data processing method mandate specific requirement on the mobilities of the binding pair in order to obtain accurate binding constants. This work shows that significant errors are resulted when the mobilities of the interacting species do not meet these requirements. Therefore, the applicability of CE-FA in many real word applications becomes questionable. An electrophoretic mobility-based correction method is developed in this work based on the flux of each species. A simulation program and a pair of model compounds are used to verify the new equations and evaluate the effectiveness of this method. Ibuprofen and hydroxypropyl-β-cyclodextrinare used to demonstrate the differences in the obtained binding constant by CE-FA when different calculation methods are used, and the results are compared with those obtained by affinity capillary electrophoresis (ACE). The results suggest that CE-FA, with the mobility-based correction method, can be a generally applicable method for a much wider range of applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The role of cognitive switching in head-up displays. [to determine pilot ability to accurately extract information from either of two sources

NASA Technical Reports Server (NTRS)

Fischer, E.

1979-01-01

The pilot's ability to accurately extract information from either one or both of two superimposed sources of information was determined. Static, aerial, color 35 mm slides of external runway environments and slides of corresponding static head-up display (HUD) symbology were used as the sources. A three channel tachistoscope was utilized to show either the HUD alone, the scene alone, or the two slides superimposed. Cognitive performance of the pilots was assessed by determining the percentage of correct answers given to two HUD related questions, two scene related questions, or one HUD and one scene related question.

Accurate Mars Express orbits to improve the determination of the mass and ephemeris of the Martian moons

NASA Astrophysics Data System (ADS)

Rosenblatt, P.; Lainey, V.; Le Maistre, S.; Marty, J. C.; Dehant, V.; Pätzold, M.; Van Hoolst, T.; Häusler, B.

2008-05-01

The determination of the ephemeris of the Martian moons has benefited from observations of their plane-of-sky positions derived from images taken by cameras onboard spacecraft orbiting Mars. Images obtained by the Super Resolution Camera (SRC) onboard Mars Express (MEX) have been used to derive moon positions relative to Mars on the basis of a fit of a complete dynamical model of their motion around Mars. Since, these positions are computed from the relative position of the spacecraft when the images are taken, those positions need to be known as accurately as possible. An accurate MEX orbit is obtained by fitting two years of tracking data of the Mars Express Radio Science (MaRS) experiment onboard MEX. The average accuracy of the orbits has been estimated to be around 20-25 m. From these orbits, we have re-derived the positions of Phobos and Deimos at the epoch of the SRC observations and compared them with the positions derived by using the MEX orbits provided by the ESOC navigation team. After fit of the orbital model of Phobos and Deimos, the gain in precision in the Phobos position is roughly 30 m, corresponding to the estimated gain of accuracy of the MEX orbits. A new solution of the GM of the Martian moons has also been obtained from the accurate MEX orbits, which is consistent with previous solutions and, for Phobos, is more precise than the solution from the Mars Global Surveyor (MGS) and Mars Odyssey (ODY) tracking data. It will be further improved with data from MEX-Phobos closer encounters (at a distance less than 300 km). This study also demonstrates the advantage of combining observations of the moon positions from a spacecraft and from the Earth to assess the real accuracy of the spacecraft orbit. In turn, the natural satellite ephemerides can be improved and participate to a better knowledge of the origin and evolution of the Martian moons.

A More Accurate and Efficient Technique Developed for Using Computational Methods to Obtain Helical Traveling-Wave Tube Interaction Impedance

NASA Technical Reports Server (NTRS)

Kory, Carol L.

1999-01-01

The phenomenal growth of commercial communications has created a great demand for traveling-wave tube (TWT) amplifiers. Although the helix slow-wave circuit remains the mainstay of the TWT industry because of its exceptionally wide bandwidth, until recently it has been impossible to accurately analyze a helical TWT using its exact dimensions because of the complexity of its geometrical structure. For the first time, an accurate three-dimensional helical model was developed that allows accurate prediction of TWT cold-test characteristics including operating frequency, interaction impedance, and attenuation. This computational model, which was developed at the NASA Lewis Research Center, allows TWT designers to obtain a more accurate value of interaction impedance than is possible using experimental methods. Obtaining helical slow-wave circuit interaction impedance is an important part of the design process for a TWT because it is related to the gain and efficiency of the tube. This impedance cannot be measured directly; thus, conventional methods involve perturbing a helical circuit with a cylindrical dielectric rod placed on the central axis of the circuit and obtaining the difference in resonant frequency between the perturbed and unperturbed circuits. A mathematical relationship has been derived between this frequency difference and the interaction impedance (ref. 1). However, because of the complex configuration of the helical circuit, deriving this relationship involves several approximations. In addition, this experimental procedure is time-consuming and expensive, but until recently it was widely accepted as the most accurate means of determining interaction impedance. The advent of an accurate three-dimensional helical circuit model (ref. 2) made it possible for Lewis researchers to fully investigate standard approximations made in deriving the relationship between measured perturbation data and interaction impedance. The most prominent approximations made

Experimentally Determined Heat Transfer Coefficients for Spacesuit Liquid Cooled Garments

NASA Technical Reports Server (NTRS)

Bue, Grant; Watts, Carly; Rhodes, Richard; Anchondo, Ian; Westheimer, David; Campbell, Colin; Vonau, Walt; Vogel, Matt; Conger, Bruce

2015-01-01

A Human-In-The-Loop (HITL) Portable Life Support System 2.0 (PLSS 2.0) test has been conducted at NASA Johnson Space Center in the PLSS Development Laboratory from October 27, 2014 to December 19, 2014. These closed-loop tests of the PLSS 2.0 system integrated with human subjects in the Mark III Suit at 3.7 psi to 4.3 psi above ambient pressure performing treadmill exercise at various metabolic rates from standing rest to 3000 BTU/hr (880 W). The bulk of the PLSS 2.0 was at ambient pressure but effluent water vapor from the Spacesuit Water Membrane Evaporator (SWME) and the Auxiliary Membrane Evaporator (Mini-ME), and effluent carbon dioxide from the Rapid Cycle Amine (RCA) were ported to vacuum to test performance of these components in flight-like conditions. One of the objectives of this test was to determine the heat transfer coefficient (UA) of the Liquid Cooling Garment (LCG). The UA, an important factor for modeling the heat rejection of an LCG, was determined in a variety of conditions by varying inlet water temperature, flowrate, and metabolic rate. Three LCG configurations were tested: the Extravehicular Mobility Unit (EMU) LCG, the Oceaneering Space Systems (OSS) LCG, and the OSS auxiliary LCG. Other factors influencing accurate UA determination, such as overall heat balance, LCG fit, and the skin temperature measurement, will also be discussed.

Experimental determination of the Mo isotope fractionation factor between metal and silicate liquids

NASA Astrophysics Data System (ADS)

Hin, R. C.; Burkhardt, C.; Schmidt, M. W.; Bourdon, B.

2011-12-01

The conditions and chemical consequences of core formation have mainly been reconstructed from experimentally determined element partition coefficients between metal and silicate liquids. However, first order questions such as the mode of core formation or the nature of the light element(s) in the Earth's core are still debated [1]. In addition, the geocentric design of most experimental studies leaves the conditions of core formation on other terrestrial planets and asteroids even more uncertain than for Earth. Through mass spectrometry, records of mass-dependent stable isotope fractionation during high-temperature processes such as metal-silicate segregation are detectable. Stable isotope fractionation may thus yield additional constrains on core formation conditions and its consequences for the chemical evolution of planetary objects. Experimental investigations of equilibrium mass-dependent stable isotope fractionation have shown that Si isotopes fractionate between metal and silicate liquids at temperatures of 1800°C and pressures of 1 GPa, while Fe isotopes leave no resolvable traces of core formation processes [2,3]. Molybdenum is a refractory and siderophile trace element in the Earth, and thus much less prone to complications arising from mass balancing core and mantle and from potential volatile behaviour than other elements. To determine equilibrium mass-dependent Mo isotope fractionation during metal-silicate segregation, we have designed piston cylinder experiments with a basaltic silicate composition and an iron based metal with ~8 wt% Mo, using both graphite and MgO capsules. Metal and silicate phases are completely segregated by the use of a centrifuging piston cylinder at ETH Zurich, thus preventing analysis of mixed metal and silicate signatures. Molybdenum isotope compositions were measured using a Nu Instruments 1700 MC-ICP-MS at ETH Zurich. To ensure an accurate correction of analytical mass fractionation a 100Mo-97Mo double spike was admixed

13C-Labeled Gluconate Tracing as a Direct and Accurate Method for Determining the Pentose Phosphate Pathway Split Ratio in Penicillium chrysogenum

PubMed Central

Kleijn, Roelco J.; van Winden, Wouter A.; Ras, Cor; van Gulik, Walter M.; Schipper, Dick; Heijnen, Joseph J.

2006-01-01

In this study we developed a new method for accurately determining the pentose phosphate pathway (PPP) split ratio, an important metabolic parameter in the primary metabolism of a cell. This method is based on simultaneous feeding of unlabeled glucose and trace amounts of [U-13C]gluconate, followed by measurement of the mass isotopomers of the intracellular metabolites surrounding the 6-phosphogluconate node. The gluconate tracer method was used with a penicillin G-producing chemostat culture of the filamentous fungus Penicillium chrysogenum. For comparison, a 13C-labeling-based metabolic flux analysis (MFA) was performed for glycolysis and the PPP of P. chrysogenum. For the first time mass isotopomer measurements of 13C-labeled primary metabolites are reported for P. chrysogenum and used for a 13C-based MFA. Estimation of the PPP split ratio of P. chrysogenum at a growth rate of 0.02 h−1 yielded comparable values for the gluconate tracer method and the 13C-based MFA method, 51.8% and 51.1%, respectively. A sensitivity analysis of the estimated PPP split ratios showed that the 95% confidence interval was almost threefold smaller for the gluconate tracer method than for the 13C-based MFA method (40.0 to 63.5% and 46.0 to 56.5%, respectively). From these results we concluded that the gluconate tracer method permits accurate determination of the PPP split ratio but provides no information about the remaining cellular metabolism, while the 13C-based MFA method permits estimation of multiple fluxes but provides a less accurate estimate of the PPP split ratio. PMID:16820467

Determination of sockage for accurate rough rice quality assessment

USDA-ARS?s Scientific Manuscript database

Determination of dockage of freshly harvested rice is crucial for precise development of a universal rice shrinking chart. The objectives of this research were to determine the effect of different factors, including rice variety, farm location, harvest moisture and time, drying, dropping, weather ev...

The experimental determination of the moments of inertia of airplanes

NASA Technical Reports Server (NTRS)

Soule, Hartley A; Miller, Marvel P

1934-01-01

The application of the pendulum method to the experimental determination of the moments of inertia of airplanes is discussed in this report. Particular reference is made to the effects of the air, in which the airplane is immersed, on the swinging tests and to the procedure by which these effects are taken into account. This procedure has been used for some time, and the data on several airplanes for which the moments of inertia have been found are included.

Effective scheme to determine accurate defect formation energies and charge transition levels of point defects in semiconductors

NASA Astrophysics Data System (ADS)

Yao, Cang Lang; Li, Jian Chen; Gao, Wang; Tkatchenko, Alexandre; Jiang, Qing

2017-12-01

We propose an effective method to accurately determine the defect formation energy Ef and charge transition level ɛ of the point defects using exclusively cohesive energy Ecoh and the fundamental band gap Eg of pristine host materials. We find that Ef of the point defects can be effectively separated into geometric and electronic contributions with a functional form: Ef=χ Ecoh+λ Eg , where χ and λ are dictated by the geometric and electronic factors of the point defects (χ and λ are defect dependent). Such a linear combination of Ecoh and Eg reproduces Ef with an accuracy better than 5% for electronic structure methods ranging from hybrid density-functional theory (DFT) to many-body random-phase approximation (RPA) and experiments. Accordingly, ɛ is also determined by Ecoh/Eg and the defect geometric/electronic factors. The identified correlation is rather general for monovacancies and interstitials, which holds in a wide variety of semiconductors covering Si, Ge, phosphorenes, ZnO, GaAs, and InP, and enables one to obtain reliable values of Ef and ɛ of the point defects for RPA and experiments based on semilocal DFT calculations.

Theoretical and experimental determination of K - and L -shell x-ray relaxation parameters in Ni

NASA Astrophysics Data System (ADS)

Guerra, M.; Sampaio, J. M.; Parente, F.; Indelicato, P.; Hönicke, P.; Müller, M.; Beckhoff, B.; Marques, J. P.; Santos, J. P.

2018-04-01

Fluorescence yields (FY) for the Ni K and L shells were determined by a theoretical and an experimental group within the framework of the International Initiative on X-ray Fundamental Parameters (FPs) collaboration. Coster-Kronig (CK) parameters were also measured for the L shell of Ni. Theoretical calculations of the same parameters were performed using the Dirac-Fock method, including relativistic and QED corrections. The experimental values for the FY and CK were determined at the PTB laboratory in the synchrotron radiation facility BESSY II, Berlin, Germany, and are compared to the corresponding calculated values.

On the Accurate Determination of Shock Wave Time-Pressure Profile in the Experimental Models of Blast-Induced Neurotrauma

PubMed Central

Skotak, Maciej; Alay, Eren; Chandra, Namas

2018-01-01

Measurement issues leading to the acquisition of artifact-free shock wave pressure-time profiles are discussed. We address the importance of in-house sensor calibration and data acquisition sampling rate. Sensor calibration takes into account possible differences between calibration methodology in a manufacturing facility, and those used in the specific laboratory. We found in-house calibration factors of brand new sensors differ by less than 10% from their manufacturer supplied data. Larger differences were noticeable for sensors that have been used for hundreds of experiments and were as high as 30% for sensors close to the end of their useful lifetime. These observations were despite the fact that typical overpressures in our experiments do not exceed 50 psi for sensors that are rated at 1,000 psi maximum pressure. We demonstrate that sampling rate of 1,000 kHz is necessary to capture the correct rise time values, but there were no statistically significant differences between peak overpressure and impulse values for low-intensity shock waves (Mach number <2) at lower rates. We discuss two sources of experimental errors originating from mechanical vibration and electromagnetic interference on the quality of a waveform recorded using state-of-the-art high-frequency pressure sensors. The implementation of preventive measures, pressure acquisition artifacts, and data interpretation with examples, are provided in this paper that will help the community at large to avoid these mistakes. In order to facilitate inter-laboratory data comparison, common reporting standards should be developed by the blast TBI research community. We noticed the majority of published literature on the subject limits reporting to peak overpressure; with much less attention directed toward other important parameters, i.e., duration, impulse, and dynamic pressure. These parameters should be included as a mandatory requirement in publications so the results can be properly compared with

Accurate mass replacement method for the sediment concentration measurement with a constant volume container

NASA Astrophysics Data System (ADS)

Ban, Yunyun; Chen, Tianqin; Yan, Jun; Lei, Tingwu

2017-04-01

The measurement of sediment concentration in water is of great importance in soil erosion research and soil and water loss monitoring systems. The traditional weighing method has long been the foundation of all the other measuring methods and instrument calibration. The development of a new method to replace the traditional oven-drying method is of interest in research and practice for the quick and efficient measurement of sediment concentration, especially field measurements. A new method is advanced in this study for accurately measuring the sediment concentration based on the accurate measurement of the mass of the sediment-water mixture in the confined constant volume container (CVC). A sediment-laden water sample is put into the CVC to determine its mass before the CVC is filled with water and weighed again for the total mass of the water and sediments in the container. The known volume of the CVC, the mass of sediment-laden water, and sediment particle density are used to calculate the mass of water, which is replaced by sediments, therefore sediment concentration of the sample is calculated. The influence of water temperature was corrected by measuring water density to determine the temperature of water before measurements were conducted. The CVC was used to eliminate the surface tension effect so as to obtain the accurate volume of water and sediment mixture. Experimental results showed that the method was capable of measuring the sediment concentration from 0.5 up to 1200 kg m-3. A good liner relationship existed between the designed and measured sediment concentrations with all the coefficients of determination greater than 0.999 and the averaged relative error less than 0.2%. All of these seem to indicate that the new method is capable of measuring a full range of sediment concentration above 0.5 kg m-3 to replace the traditional oven-drying method as a standard method for evaluating and calibrating other methods.

LCC-Demons: a robust and accurate symmetric diffeomorphic registration algorithm.

PubMed

Lorenzi, M; Ayache, N; Frisoni, G B; Pennec, X

2013-11-01

Non-linear registration is a key instrument for computational anatomy to study the morphology of organs and tissues. However, in order to be an effective instrument for the clinical practice, registration algorithms must be computationally efficient, accurate and most importantly robust to the multiple biases affecting medical images. In this work we propose a fast and robust registration framework based on the log-Demons diffeomorphic registration algorithm. The transformation is parameterized by stationary velocity fields (SVFs), and the similarity metric implements a symmetric local correlation coefficient (LCC). Moreover, we show how the SVF setting provides a stable and consistent numerical scheme for the computation of the Jacobian determinant and the flux of the deformation across the boundaries of a given region. Thus, it provides a robust evaluation of spatial changes. We tested the LCC-Demons in the inter-subject registration setting, by comparing with state-of-the-art registration algorithms on public available datasets, and in the intra-subject longitudinal registration problem, for the statistically powered measurements of the longitudinal atrophy in Alzheimer's disease. Experimental results show that LCC-Demons is a generic, flexible, efficient and robust algorithm for the accurate non-linear registration of images, which can find several applications in the field of medical imaging. Without any additional optimization, it solves equally well intra & inter-subject registration problems, and compares favorably to state-of-the-art methods. Copyright © 2013 Elsevier Inc. All rights reserved.

Reference Genes for Accurate Transcript Normalization in Citrus Genotypes under Different Experimental Conditions

PubMed Central

Mafra, Valéria; Kubo, Karen S.; Alves-Ferreira, Marcio; Ribeiro-Alves, Marcelo; Stuart, Rodrigo M.; Boava, Leonardo P.; Rodrigues, Carolina M.; Machado, Marcos A.

2012-01-01

Real-time reverse transcription PCR (RT-qPCR) has emerged as an accurate and widely used technique for expression profiling of selected genes. However, obtaining reliable measurements depends on the selection of appropriate reference genes for gene expression normalization. The aim of this work was to assess the expression stability of 15 candidate genes to determine which set of reference genes is best suited for transcript normalization in citrus in different tissues and organs and leaves challenged with five pathogens (Alternaria alternata, Phytophthora parasitica, Xylella fastidiosa and Candidatus Liberibacter asiaticus). We tested traditional genes used for transcript normalization in citrus and orthologs of Arabidopsis thaliana genes described as superior reference genes based on transcriptome data. geNorm and NormFinder algorithms were used to find the best reference genes to normalize all samples and conditions tested. Additionally, each biotic stress was individually analyzed by geNorm. In general, FBOX (encoding a member of the F-box family) and GAPC2 (GAPDH) was the most stable candidate gene set assessed under the different conditions and subsets tested, while CYP (cyclophilin), TUB (tubulin) and CtP (cathepsin) were the least stably expressed genes found. Validation of the best suitable reference genes for normalizing the expression level of the WRKY70 transcription factor in leaves infected with Candidatus Liberibacter asiaticus showed that arbitrary use of reference genes without previous testing could lead to misinterpretation of data. Our results revealed FBOX, SAND (a SAND family protein), GAPC2 and UPL7 (ubiquitin protein ligase 7) to be superior reference genes, and we recommend their use in studies of gene expression in citrus species and relatives. This work constitutes the first systematic analysis for the selection of superior reference genes for transcript normalization in different citrus organs and under biotic stress. PMID:22347455

How accurately can the peak skin dose in fluoroscopy be determined using indirect dose metrics?

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

Jones, A. Kyle, E-mail: kyle.jones@mdanderson.org; Ensor, Joe E.; Pasciak, Alexander S.

Purpose: Skin dosimetry is important for fluoroscopically-guided interventions, as peak skin doses (PSD) that result in skin reactions can be reached during these procedures. There is no consensus as to whether or not indirect skin dosimetry is sufficiently accurate for fluoroscopically-guided interventions. However, measuring PSD with film is difficult and the decision to do so must be madea priori. The purpose of this study was to assess the accuracy of different types of indirect dose estimates and to determine if PSD can be calculated within ±50% using indirect dose metrics for embolization procedures. Methods: PSD were measured directly using radiochromicmore » film for 41 consecutive embolization procedures at two sites. Indirect dose metrics from the procedures were collected, including reference air kerma. Four different estimates of PSD were calculated from the indirect dose metrics and compared along with reference air kerma to the measured PSD for each case. The four indirect estimates included a standard calculation method, the use of detailed information from the radiation dose structured report, and two simplified calculation methods based on the standard method. Indirect dosimetry results were compared with direct measurements, including an analysis of uncertainty associated with film dosimetry. Factors affecting the accuracy of the different indirect estimates were examined. Results: When using the standard calculation method, calculated PSD were within ±35% for all 41 procedures studied. Calculated PSD were within ±50% for a simplified method using a single source-to-patient distance for all calculations. Reference air kerma was within ±50% for all but one procedure. Cases for which reference air kerma or calculated PSD exhibited large (±35%) differences from the measured PSD were analyzed, and two main causative factors were identified: unusually small or large source-to-patient distances and large contributions to reference air kerma from

A machine learning method for fast and accurate characterization of depth-of-interaction gamma cameras

NASA Astrophysics Data System (ADS)

Pedemonte, Stefano; Pierce, Larry; Van Leemput, Koen

2017-11-01

Measuring the depth-of-interaction (DOI) of gamma photons enables increasing the resolution of emission imaging systems. Several design variants of DOI-sensitive detectors have been recently introduced to improve the performance of scanners for positron emission tomography (PET). However, the accurate characterization of the response of DOI detectors, necessary to accurately measure the DOI, remains an unsolved problem. Numerical simulations are, at the state of the art, imprecise, while measuring directly the characteristics of DOI detectors experimentally is hindered by the impossibility to impose the depth-of-interaction in an experimental set-up. In this article we introduce a machine learning approach for extracting accurate forward models of gamma imaging devices from simple pencil-beam measurements, using a nonlinear dimensionality reduction technique in combination with a finite mixture model. The method is purely data-driven, not requiring simulations, and is applicable to a wide range of detector types. The proposed method was evaluated both in a simulation study and with data acquired using a monolithic gamma camera designed for PET (the cMiCE detector), demonstrating the accurate recovery of the DOI characteristics. The combination of the proposed calibration technique with maximum- a posteriori estimation of the coordinates of interaction provided a depth resolution of  ≈1.14 mm for the simulated PET detector and  ≈1.74 mm for the cMiCE detector. The software and experimental data are made available at http://occiput.mgh.harvard.edu/depthembedding/.

|Vus| determination from inclusive strange tau decay and lattice HVP

NASA Astrophysics Data System (ADS)

Boyle, Peter; Hudspith, Renwick James; Izubuchi, Taku; Jüttner, Andreas; Lehner, Christoph; Lewis, Randy; Maltman, Kim; Ohki, Hiroshi; Portelli, Antonin; Spraggs, Matthew

2018-03-01

We propose and apply a novel approach to determining |Vus| which uses inclusive strange hadronic tau decay data and hadronic vacuum polarization functions (HVPs) computed on the lattice. The experimental and lattice data are related through dispersion relations which employ a class of weight functions having poles at space-like momentum. Implementing this approach using lattice data generated by the RBC/UKQCD collaboration, we show examples of weight functions which strongly suppress spectral integral contributions from the region where experimental data either have large uncertainties or do not exist while at the same time allowing accurate determinations of relevant lattice HVPs. Our result for |Vus| is in good agreement with determinations from K physics and 3-family CKM unitarity. The advantages of the new approach over the conventional sum rule analysis will be discussed.

Multimodal Spatial Calibration for Accurately Registering EEG Sensor Positions

PubMed Central

Chen, Shengyong; Xiao, Gang; Li, Xiaoli

2014-01-01

This paper proposes a fast and accurate calibration method to calibrate multiple multimodal sensors using a novel photogrammetry system for fast localization of EEG sensors. The EEG sensors are placed on human head and multimodal sensors are installed around the head to simultaneously obtain all EEG sensor positions. A multiple views' calibration process is implemented to obtain the transformations of multiple views. We first develop an efficient local repair algorithm to improve the depth map, and then a special calibration body is designed. Based on them, accurate and robust calibration results can be achieved. We evaluate the proposed method by corners of a chessboard calibration plate. Experimental results demonstrate that the proposed method can achieve good performance, which can be further applied to EEG source localization applications on human brain. PMID:24803954

Experimental Energy Levels and Partition Function of the 12C2 Molecule

NASA Astrophysics Data System (ADS)

Furtenbacher, Tibor; Szabó, István; Császár, Attila G.; Bernath, Peter F.; Yurchenko, Sergei N.; Tennyson, Jonathan

2016-06-01

The carbon dimer, the 12C2 molecule, is ubiquitous in astronomical environments. Experimental-quality rovibronic energy levels are reported for 12C2, based on rovibronic transitions measured for and among its singlet, triplet, and quintet electronic states, reported in 42 publications. The determination utilizes the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. The 23,343 transitions measured experimentally and validated within this study determine 5699 rovibronic energy levels, 1325, 4309, and 65 levels for the singlet, triplet, and quintet states investigated, respectively. The MARVEL analysis provides rovibronic energies for six singlet, six triplet, and two quintet electronic states. For example, the lowest measurable energy level of the {{a}}{}3{{{\\Pi }}}{{u}} state, corresponding to the J = 2 total angular momentum quantum number and the F 1 spin-multiplet component, is 603.817(5) cm-1. This well-determined energy difference should facilitate observations of singlet-triplet intercombination lines, which are thought to occur in the interstellar medium and comets. The large number of highly accurate and clearly labeled transitions that can be derived by combining MARVEL energy levels with computed temperature-dependent intensities should help a number of astrophysical observations as well as corresponding laboratory measurements. The experimental rovibronic energy levels, augmented, where needed, with ab initio variational ones based on empirically adjusted and spin-orbit coupled potential energy curves obtained using the Duo code, are used to obtain a highly accurate partition function, and related thermodynamic data, for 12C2 up to 4000 K.

Complex optimization for big computational and experimental neutron datasets

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

Bao, Feng; Oak Ridge National Lab.; Archibald, Richard

Here, we present a framework to use high performance computing to determine accurate solutions to the inverse optimization problem of big experimental data against computational models. We demonstrate how image processing, mathematical regularization, and hierarchical modeling can be used to solve complex optimization problems on big data. We also demonstrate how both model and data information can be used to further increase solution accuracy of optimization by providing confidence regions for the processing and regularization algorithms. Finally, we use the framework in conjunction with the software package SIMPHONIES to analyze results from neutron scattering experiments on silicon single crystals, andmore » refine first principles calculations to better describe the experimental data.« less

Complex optimization for big computational and experimental neutron datasets

DOE PAGES

Bao, Feng; Oak Ridge National Lab.; Archibald, Richard; ...

2016-11-07

Here, we present a framework to use high performance computing to determine accurate solutions to the inverse optimization problem of big experimental data against computational models. We demonstrate how image processing, mathematical regularization, and hierarchical modeling can be used to solve complex optimization problems on big data. We also demonstrate how both model and data information can be used to further increase solution accuracy of optimization by providing confidence regions for the processing and regularization algorithms. Finally, we use the framework in conjunction with the software package SIMPHONIES to analyze results from neutron scattering experiments on silicon single crystals, andmore » refine first principles calculations to better describe the experimental data.« less

The CC/DFT Route towards Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as Case Study

PubMed Central

Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Cimino, Paola; Penocchio, Emanuele; Puzzarini, Cristina

2018-01-01

The structures, relative stabilities as well as the rotational and vibrational spectra of the three low-energy conformers of Pyruvic acid (PA) have been characterized using a state-of-the-art quantum-mechanical approach designed for flexible molecules. By making use of the available experimental rotational constants for several isotopologues of the most stable PA conformer, Tc-PA, the semi-experimental equilibrium structure has been derived. The latter provides a reference for the pure theoretical determination of the equilibrium geometries for all conformers, thus confirming for these structures an accuracy of 0.001 Å and 0.1 deg. for bond lengths and angles, respectively. Highly accurate relative energies of all conformers (Tc-, Tt- and Ct-PA) and of the transition states connecting them are provided along with the thermodynamic properties at low and high temperatures, thus leading to conformational enthalpies accurate to 1 kJ mol−1. Concerning microwave spectroscopy, rotational constants accurate to about 20 MHz are provided for the Tt- and Ct-PA conformers, together with the computed centrifugal-distortion constants and dipole moments required to simulate their rotational spectra. For Ct-PA, vibrational frequencies in the mid-infrared region accurate to 10 cm−1 are reported along with theoretical estimates for the transitions in the near-infrared range, and the corresponding infrared spectrum including fundamental transitions, overtones and combination bands has been simulated. In addition to the new data described above, theoretical results for the Tc- and Tt-PA conformers are compared with all available experimental data to further confirm the accuracy of the hybrid coupled-cluster/density functional theory (CC/DFT) protocol applied in the present study. Finally, we discuss in detail the accuracy of computational models fully based on double-hybrid DFT functionals (mainly at the B2PLYP/aug-cc-pVTZ level) that avoid the use of very expensive CC

Accurate Measurement of the Optical Constants for Organic and Organophosphorous Liquid Layers and Drops

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

Myers, Tanya L.; Tonkyn, Russell G.; Danby, Tyler O.

We present accurate measurements for the determination of the optical constants for a series of organic liquids, including organophosphorous compounds. Bulk liquids are rarely encountered in the environment, but more commonly are present as droplets of liquids or thin layers on various substrates. Providing reference spectra to account for the plethora of morphological conditions that may be encountered under different scenarios is a challenge. An alternative approach is to provide the complex optical constants, n and k, which can be used to model the optical phenomena in media and at interfaces, minimizing the need for a vast number of laboratorymore » measurements. In this work, we present improved protocols for measuring the optical constants for a series of liquids that span the range from 7800 to 400 cm-1. The broad spectral range means that one needs to account for both the strong and weak spectral features that are encountered, all of which can be useful for detection, depending on the scenario. To span this dynamic range, both long and short cells are required for accurate measurements. The protocols are presented along with experimental and modeling results for thin layers of silicone oil on aluminum.« less

Assessing the accuracy of subject-specific, muscle-model parameters determined by optimizing to match isometric strength.

PubMed

DeSmitt, Holly J; Domire, Zachary J

2016-12-01

Biomechanical models are sensitive to the choice of model parameters. Therefore, determination of accurate subject specific model parameters is important. One approach to generate these parameters is to optimize the values such that the model output will match experimentally measured strength curves. This approach is attractive as it is inexpensive and should provide an excellent match to experimentally measured strength. However, given the problem of muscle redundancy, it is not clear that this approach generates accurate individual muscle forces. The purpose of this investigation is to evaluate this approach using simulated data to enable a direct comparison. It is hypothesized that the optimization approach will be able to recreate accurate muscle model parameters when information from measurable parameters is given. A model of isometric knee extension was developed to simulate a strength curve across a range of knee angles. In order to realistically recreate experimentally measured strength, random noise was added to the modeled strength. Parameters were solved for using a genetic search algorithm. When noise was added to the measurements the strength curve was reasonably recreated. However, the individual muscle model parameters and force curves were far less accurate. Based upon this examination, it is clear that very different sets of model parameters can recreate similar strength curves. Therefore, experimental variation in strength measurements has a significant influence on the results. Given the difficulty in accurately recreating individual muscle parameters, it may be more appropriate to perform simulations with lumped actuators representing similar muscles.

Optimized structure and thermochemical properties of flavonoids determined by the CHIH(medium) DFT model chemistry versus experimental techniques

NASA Astrophysics Data System (ADS)

Mendoza-Wilson, Ana María.; Lardizabal-Gutiérrez, Daniel; Torres-Moye, Enrique; Fuentes-Cobas, Luis; Balandrán-Quintana, René R.; Camacho-Dávila, Alejandro; Quintero-Ramos, Armando; Glossman-Mitnik, Daniel

2007-12-01

The purpose of this work was to evaluate the accuracy of the CHIH(medium)-DFT model chemistry (PBEg/CBSB2 ∗∗//PBEg/CBSB4) in the determination of the optimized structure and thermochemical properties of heterocyclic systems of medium size such as flavonoids, wherefore were selected three of the most abundant flavonoids in vegetable tissues, and which posses the higher antioxidant activity: quercetin, (+)-catechin and cyanidin. As reference systems were employed three cyclic compounds: phenol, catechol and resorcinol. The thermochemical properties evaluated were enthalpy of formation, bond dissociation enthalpy (BDE) and ionization potential (IP), following the scheme of isodesmic reactions. The theoretical results were compared with experimental data generated by X-ray diffraction and calorimetric techniques realized in part by us, whereas other data were taken from the literature. The results obtained in this work reveal that the CHIH(medium)-DFT model chemistry represents an accurate computational tool to calculate structural and thermochemical properties in the studied flavonoid and reference compounds. The average absolute deviation of enthalpy of formation for reference compounds was 3.0 kcal/mol, 2.64 kcal/mol for BDE, and 2.97 kcal/mol for IP.

Investigation Study on Determination of Fracture Strain and Fractuer Forming Limit Curve Using Different Experimental and Numerical Methods

NASA Astrophysics Data System (ADS)

Farahnak, P.; Urbanek, M.; Džugan, J.

2017-09-01

Forming Limit Curve (FLC) is a well-known tool for the evaluation of failure in sheet metal process. However, its experimental determination and evaluation are rather complex. From theoretical point of view, FLC describes initiation of the instability not fracture. During the last years Digital Image Correlation (DIC) techniques have been developed extensively. Throughout this paper, all the measurements were done using DIC and as it is reported in the literature, different approaches to capture necking and fracture phenomena using Cross Section Method (CSM), Time dependent Method (TDM) and Thinning Method (TM) were investigated. Each aforementioned method has some advantages and disadvantages. Moreover, a cruciform specimen was used in order to cover whole FLC in the range between uniaxial to equi-biaxial tension and as an alternative for Nakajima test. Based on above-mentioned uncertainty about the fracture strain, some advanced numerical failure models can describe necking and fracture phenomena accurately with consideration of anisotropic effects. It is noticeable that in this paper, dog-bone, notch and circular disk specimens are used to calibrate Johnson-Cook (J-C) fracture model. The results are discussed for mild steel DC01.

Reliable and accurate extraction of Hamaker constants from surface force measurements.

PubMed

Miklavcic, S J

2018-08-15

A simple and accurate closed-form expression for the Hamaker constant that best represents experimental surface force data is presented. Numerical comparisons are made with the current standard least squares approach, which falsely assumes error-free separation measurements, and a nonlinear version assuming independent measurements of force and separation are subject to error. The comparisons demonstrate that not only is the proposed formula easily implemented it is also considerably more accurate. This option is appropriate for any value of Hamaker constant, high or low, and certainly for any interacting system exhibiting an inverse square distance dependent van der Waals force. Copyright © 2018 Elsevier Inc. All rights reserved.

Wavelet transform fast inverse light scattering analysis for size determination of spherical scatterers

PubMed Central

Ho, Derek; Kim, Sanghoon; Drake, Tyler K.; Eldridge, Will J.; Wax, Adam

2014-01-01

We present a fast approach for size determination of spherical scatterers using the continuous wavelet transform of the angular light scattering profile to address the computational limitations of previously developed sizing techniques. The potential accuracy, speed, and robustness of the algorithm were determined in simulated models of scattering by polystyrene beads and cells. The algorithm was tested experimentally on angular light scattering data from polystyrene bead phantoms and MCF-7 breast cancer cells using a 2D a/LCI system. Theoretical sizing of simulated profiles of beads and cells produced strong fits between calculated and actual size (r2 = 0.9969 and r2 = 0.9979 respectively), and experimental size determinations were accurate to within one micron. PMID:25360350

Fast and accurate determination of arsenobetaine in fish tissues using accelerated solvent extraction and HPLC-ICP-MS determination.

PubMed

Wahlen, Raimund

2004-04-01

A high-performance liquid chromatography-inductively coupled plasma-mass spectrometry (HPLC-ICP-MS) method has been developed for the fast and accurate analysis of arsenobetaine (AsB) in fish samples extracted by accelerated solvent extraction. The combined extraction and analysis approach is validated using certified reference materials for AsB in fish and during a European intercomparison exercise with a blind sample. Up to six species of arsenic (As) can be separated and quantitated in the extracts within a 10-min isocratic elution. The method is optimized so as to minimize time-consuming sample preparation steps and allow for automated extraction and analysis of large sample batches. A comparison of standard addition and external calibration show no significant difference in the results obtained, which indicates that the LC-ICP-MS method is not influenced by severe matrix effects. The extraction procedure can process up to 24 samples in an automated manner, yet the robustness of the developed HPLC-ICP-MS approach is highlighted by the capability to run more than 50 injections per sequence, which equates to a total run-time of more than 12 h. The method can therefore be used to rapidly and accurately assess the proportion of nontoxic AsB in fish samples with high total As content during toxicological screening studies.

SU-F-T-73: Experimental Determination of the Effective Point of Measurement in Electron Beams Using a Commercial Scintillation Detector

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

Simiele, E; Smith, B; Culberson, W

2016-06-15

Purpose: The aim of this work was to determine experimentally the effective point of measurement (EPOM) in clinical electron beams for three cylindrical ionization chambers using a commercial scintillation detector as a reference detector. Methods: Percent depth dose (PDD) curves were measured using an Exradin W1 scintillation detector and were used as a representative PDD to water. Depth dose curves were measured with the Exradin A18, A1SL, and A28 ionization chambers. The raw ionization chamber curve data were corrected by the chamber fluence perturbation correction factor and restricted mass collisional stopping power ratio at each depth to obtain a percentmore » depth dose curve to the gas volume (PDDGV) of the detector. Ratios of the W1 PDD to the ion chamber PDDGV were calculated for each measurement depth. The W1 PDD curve was shifted by small depth increments, Δz, until the ratio of the W1 PDD to the ion chamber PDDGV was depth-independent (optimal Δz). A MATLAB routine was developed to determine the optimal Δz value. Results: The optimal Δz shift was used as an estimate of the EPOM for each chamber. The average calculated EPOM shifts (expressed as a fraction of the chamber cavity radius) for the A18, A1SL, and A28 ionization chambers were 0.21 ± 0.04, 0.10 ± 0.05, and 0.22 ± 0.03, respectively. Conclusion: The experimentally determined EPOM values for the A18 and A1SL in this work agreed with the simulated values of Muir and Rogers (MedPhys 2014). The results also indicate that the Exradin W1 scintillator is water equivalent for electron energies of 6 MeV, 9 MeV, 12 MeV, and 16 MeV. In addition, we confirmed that the AAPM TG51 recommended EPOM shift of 0.5 times the cavity radius is not accurate for the A18 and A1SL chambers.« less

Determination of Membrane-Insertion Free Energies by Molecular Dynamics Simulations

PubMed Central

Gumbart, James; Roux, Benoît

2012-01-01

The accurate prediction of membrane-insertion probability for arbitrary protein sequences is a critical challenge to identifying membrane proteins and determining their folded structures. Although algorithms based on sequence statistics have had moderate success, a complete understanding of the energetic factors that drive the insertion of membrane proteins is essential to thoroughly meeting this challenge. In the last few years, numerous attempts to define a free-energy scale for amino-acid insertion have been made, yet disagreement between most experimental and theoretical scales persists. However, for a recently resolved water-to-bilayer scale, it is found that molecular dynamics simulations that carefully mimic the conditions of the experiment can reproduce experimental free energies, even when using the same force field as previous computational studies that were cited as evidence of this disagreement. Therefore, it is suggested that experimental and simulation-based scales can both be accurate and that discrepancies stem from disparities in the microscopic processes being considered rather than methodological errors. Furthermore, these disparities make the development of a single universally applicable membrane-insertion free energy scale difficult. PMID:22385850

An Improved Method of Predicting Extinction Coefficients for the Determination of Protein Concentration.

PubMed

Hilario, Eric C; Stern, Alan; Wang, Charlie H; Vargas, Yenny W; Morgan, Charles J; Swartz, Trevor E; Patapoff, Thomas W

2017-01-01

Concentration determination is an important method of protein characterization required in the development of protein therapeutics. There are many known methods for determining the concentration of a protein solution, but the easiest to implement in a manufacturing setting is absorption spectroscopy in the ultraviolet region. For typical proteins composed of the standard amino acids, absorption at wavelengths near 280 nm is due to the three amino acid chromophores tryptophan, tyrosine, and phenylalanine in addition to a contribution from disulfide bonds. According to the Beer-Lambert law, absorbance is proportional to concentration and path length, with the proportionality constant being the extinction coefficient. Typically the extinction coefficient of proteins is experimentally determined by measuring a solution absorbance then experimentally determining the concentration, a measurement with some inherent variability depending on the method used. In this study, extinction coefficients were calculated based on the measured absorbance of model compounds of the four amino acid chromophores. These calculated values for an unfolded protein were then compared with an experimental concentration determination based on enzymatic digestion of proteins. The experimentally determined extinction coefficient for the native proteins was consistently found to be 1.05 times the calculated value for the unfolded proteins for a wide range of proteins with good accuracy and precision under well-controlled experimental conditions. The value of 1.05 times the calculated value was termed the predicted extinction coefficient. Statistical analysis shows that the differences between predicted and experimentally determined coefficients are scattered randomly, indicating no systematic bias between the values among the proteins measured. The predicted extinction coefficient was found to be accurate and not subject to the inherent variability of experimental methods. We propose the use of a

Experimental Investigation of the Momentum Method for Determining Profile Drag

NASA Technical Reports Server (NTRS)

Goett, Harry J

1939-01-01

Report presents the results of an experimental investigation conducted in the full-scale tunnel to determine the accuracy of the Jones and the Betz equations for computing profile drag from total and static pressure surveys in the wake of wings. Surveys were made behind 6 by 8-foot airfoils of the NACA 0009, and 0018 sections at zero lift and behind the NACA 0012 at positive lifts. The surveys were made at various spanwise positions and at distances behind the airfoil ranging from 0.05c to 3.00c.

An integrated inverse model-experimental approach to determine soft tissue three-dimensional constitutive parameters: application to post-infarcted myocardium.

PubMed

Avazmohammadi, Reza; Li, David S; Leahy, Thomas; Shih, Elizabeth; Soares, João S; Gorman, Joseph H; Gorman, Robert C; Sacks, Michael S

2018-02-01

Knowledge of the complete three-dimensional (3D) mechanical behavior of soft tissues is essential in understanding their pathophysiology and in developing novel therapies. Despite significant progress made in experimentation and modeling, a complete approach for the full characterization of soft tissue 3D behavior remains elusive. A major challenge is the complex architecture of soft tissues, such as myocardium, which endows them with strongly anisotropic and heterogeneous mechanical properties. Available experimental approaches for quantifying the 3D mechanical behavior of myocardium are limited to preselected planar biaxial and 3D cuboidal shear tests. These approaches fall short in pursuing a model-driven approach that operates over the full kinematic space. To address these limitations, we took the following approach. First, based on a kinematical analysis and using a given strain energy density function (SEDF), we obtained an optimal set of displacement paths based on the full 3D deformation gradient tensor. We then applied this optimal set to obtain novel experimental data from a 1-cm cube of post-infarcted left ventricular myocardium. Next, we developed an inverse finite element (FE) simulation of the experimental configuration embedded in a parameter optimization scheme for estimation of the SEDF parameters. Notable features of this approach include: (i) enhanced determinability and predictive capability of the estimated parameters following an optimal design of experiments, (ii) accurate simulation of the experimental setup and transmural variation of local fiber directions in the FE environment, and (iii) application of all displacement paths to a single specimen to minimize testing time so that tissue viability could be maintained. Our results indicated that, in contrast to the common approach of conducting preselected tests and choosing an SEDF a posteriori, the optimal design of experiments, integrated with a chosen SEDF and full 3D kinematics, leads

Experimental Determination of Dynamical Lee-Yang Zeros

NASA Astrophysics Data System (ADS)

Brandner, Kay; Maisi, Ville F.; Pekola, Jukka P.; Garrahan, Juan P.; Flindt, Christian

2017-05-01

Statistical physics provides the concepts and methods to explain the phase behavior of interacting many-body systems. Investigations of Lee-Yang zeros—complex singularities of the free energy in systems of finite size—have led to a unified understanding of equilibrium phase transitions. The ideas of Lee and Yang, however, are not restricted to equilibrium phenomena. Recently, Lee-Yang zeros have been used to characterize nonequilibrium processes such as dynamical phase transitions in quantum systems after a quench or dynamic order-disorder transitions in glasses. Here, we experimentally realize a scheme for determining Lee-Yang zeros in such nonequilibrium settings. We extract the dynamical Lee-Yang zeros of a stochastic process involving Andreev tunneling between a normal-state island and two superconducting leads from measurements of the dynamical activity along a trajectory. From the short-time behavior of the Lee-Yang zeros, we predict the large-deviation statistics of the activity which is typically difficult to measure. Our method paves the way for further experiments on the statistical mechanics of many-body systems out of equilibrium.

Accurate abundance determinations in S stars

NASA Astrophysics Data System (ADS)

Neyskens, P.; Van Eck, S.; Plez, B.; Goriely, S.; Siess, L.; Jorissen, A.

2011-12-01

S-type stars are thought to be the first objects, during their evolution on the asymptotic giant branch (AGB), to experience s-process nucleosynthesis and third dredge-ups, and therefore to exhibit s-process signatures in their atmospheres. Until present, the modeling of these processes is subject to large uncertainties. Precise abundance determinations in S stars are of extreme importance for constraining e.g., the depth and the formation of the 13C pocket. In this paper a large grid of MARCS model atmospheres for S stars is used to derive precise abundances of key s-process elements and iron. A first estimation of the atmospheric parameters is obtained using a set of well-chosen photometric and spectroscopic indices for selecting the best model atmosphere of each S star. Abundances are derived from spectral line synthesis, using the selected model atmosphere. Special interest is paid to technetium, an element without stable isotopes. Its detection in stars is considered as the best possible signature that the star effectively populates the thermally-pulsing AGB (TP-AGB) phase of evolution. The derived Tc/Zr abundances are compared, as a function of the derived [Zr/Fe] overabundances, with AGB stellar model predictions. The computed [Zr/Fe] overabundances are in good agreement with the AGB stellar evolution model predictions, while the Tc/Zr abundances are slightly over-predicted. This discrepancy can help to set stronger constraints on nucleosynthesis and mixing mechanisms in AGB stars.

Highly accurate adaptive TOF determination method for ultrasonic thickness measurement

NASA Astrophysics Data System (ADS)

Zhou, Lianjie; Liu, Haibo; Lian, Meng; Ying, Yangwei; Li, Te; Wang, Yongqing

2018-04-01

Determining the time of flight (TOF) is very critical for precise ultrasonic thickness measurement. However, the relatively low signal-to-noise ratio (SNR) of the received signals would induce significant TOF determination errors. In this paper, an adaptive time delay estimation method has been developed to improve the TOF determination’s accuracy. An improved variable step size adaptive algorithm with comprehensive step size control function is proposed. Meanwhile, a cubic spline fitting approach is also employed to alleviate the restriction of finite sampling interval. Simulation experiments under different SNR conditions were conducted for performance analysis. Simulation results manifested the performance advantage of proposed TOF determination method over existing TOF determination methods. When comparing with the conventional fixed step size, and Kwong and Aboulnasr algorithms, the steady state mean square deviation of the proposed algorithm was generally lower, which makes the proposed algorithm more suitable for TOF determination. Further, ultrasonic thickness measurement experiments were performed on aluminum alloy plates with various thicknesses. They indicated that the proposed TOF determination method was more robust even under low SNR conditions, and the ultrasonic thickness measurement accuracy could be significantly improved.

Accurate Phylogenetic Tree Reconstruction from Quartets: A Heuristic Approach

PubMed Central

Reaz, Rezwana; Bayzid, Md. Shamsuzzoha; Rahman, M. Sohel

2014-01-01

Supertree methods construct trees on a set of taxa (species) combining many smaller trees on the overlapping subsets of the entire set of taxa. A ‘quartet’ is an unrooted tree over taxa, hence the quartet-based supertree methods combine many -taxon unrooted trees into a single and coherent tree over the complete set of taxa. Quartet-based phylogeny reconstruction methods have been receiving considerable attentions in the recent years. An accurate and efficient quartet-based method might be competitive with the current best phylogenetic tree reconstruction methods (such as maximum likelihood or Bayesian MCMC analyses), without being as computationally intensive. In this paper, we present a novel and highly accurate quartet-based phylogenetic tree reconstruction method. We performed an extensive experimental study to evaluate the accuracy and scalability of our approach on both simulated and biological datasets. PMID:25117474

Light Field Imaging Based Accurate Image Specular Highlight Removal

PubMed Central

Wang, Haoqian; Xu, Chenxue; Wang, Xingzheng; Zhang, Yongbing; Peng, Bo

2016-01-01

Specular reflection removal is indispensable to many computer vision tasks. However, most existing methods fail or degrade in complex real scenarios for their individual drawbacks. Benefiting from the light field imaging technology, this paper proposes a novel and accurate approach to remove specularity and improve image quality. We first capture images with specularity by the light field camera (Lytro ILLUM). After accurately estimating the image depth, a simple and concise threshold strategy is adopted to cluster the specular pixels into “unsaturated” and “saturated” category. Finally, a color variance analysis of multiple views and a local color refinement are individually conducted on the two categories to recover diffuse color information. Experimental evaluation by comparison with existed methods based on our light field dataset together with Stanford light field archive verifies the effectiveness of our proposed algorithm. PMID:27253083

A miniature shoe-mounted orientation determination system for accurate indoor heading and trajectory tracking.

PubMed

Zhang, Shengzhi; Yu, Shuai; Liu, Chaojun; Liu, Sheng

2016-06-01

Tracking the position of pedestrian is urgently demanded when the most commonly used GPS (Global Position System) is unavailable. Benefited from the small size, low-power consumption, and relatively high reliability, micro-electro-mechanical system sensors are well suited for GPS-denied indoor pedestrian heading estimation. In this paper, a real-time miniature orientation determination system (MODS) was developed for indoor heading and trajectory tracking based on a novel dual-linear Kalman filter. The proposed filter precludes the impact of geomagnetic distortions on pitch and roll that the heading is subjected to. A robust calibration approach was designed to improve the accuracy of sensors measurements based on a unified sensor model. Online tests were performed on the MODS with an improved turntable. The results demonstrate that the average RMSE (root-mean-square error) of heading estimation is less than 1°. Indoor heading experiments were carried out with the MODS mounted on the shoe of pedestrian. Besides, we integrated the existing MODS into an indoor pedestrian dead reckoning application as an example of its utility in realistic actions. A human attitude-based walking model was developed to calculate the walking distance. Test results indicate that mean percentage error of indoor trajectory tracking achieves 2% of the total walking distance. This paper provides a feasible alternative for accurate indoor heading and trajectory tracking.

A Dual-Mode Large-Arrayed CMOS ISFET Sensor for Accurate and High-Throughput pH Sensing in Biomedical Diagnosis.

PubMed

Huang, Xiwei; Yu, Hao; Liu, Xu; Jiang, Yu; Yan, Mei; Wu, Dongping

2015-09-01

The existing ISFET-based DNA sequencing detects hydrogen ions released during the polymerization of DNA strands on microbeads, which are scattered into microwell array above the ISFET sensor with unknown distribution. However, false pH detection happens at empty microwells due to crosstalk from neighboring microbeads. In this paper, a dual-mode CMOS ISFET sensor is proposed to have accurate pH detection toward DNA sequencing. Dual-mode sensing, optical and chemical modes, is realized by integrating a CMOS image sensor (CIS) with ISFET pH sensor, and is fabricated in a standard 0.18-μm CIS process. With accurate determination of microbead physical locations with CIS pixel by contact imaging, the dual-mode sensor can correlate local pH for one DNA slice at one location-determined microbead, which can result in improved pH detection accuracy. Moreover, toward a high-throughput DNA sequencing, a correlated-double-sampling readout that supports large array for both modes is deployed to reduce pixel-to-pixel nonuniformity such as threshold voltage mismatch. The proposed CMOS dual-mode sensor is experimentally examined to show a well correlated pH map and optical image for microbeads with a pH sensitivity of 26.2 mV/pH, a fixed pattern noise (FPN) reduction from 4% to 0.3%, and a readout speed of 1200 frames/s. A dual-mode CMOS ISFET sensor with suppressed FPN for accurate large-arrayed pH sensing is proposed and demonstrated with state-of-the-art measured results toward accurate and high-throughput DNA sequencing. The developed dual-mode CMOS ISFET sensor has great potential for future personal genome diagnostics with high accuracy and low cost.

Computational knee ligament modeling using experimentally determined zero-load lengths.

PubMed

Bloemker, Katherine H; Guess, Trent M; Maletsky, Lorin; Dodd, Kevin

2012-01-01

This study presents a subject-specific method of determining the zero-load lengths of the cruciate and collateral ligaments in computational knee modeling. Three cadaver knees were tested in a dynamic knee simulator. The cadaver knees also underwent manual envelope of motion testing to find their passive range of motion in order to determine the zero-load lengths for each ligament bundle. Computational multibody knee models were created for each knee and model kinematics were compared to experimental kinematics for a simulated walk cycle. One-dimensional non-linear spring damper elements were used to represent cruciate and collateral ligament bundles in the knee models. This study found that knee kinematics were highly sensitive to altering of the zero-load length. The results also suggest optimal methods for defining each of the ligament bundle zero-load lengths, regardless of the subject. These results verify the importance of the zero-load length when modeling the knee joint and verify that manual envelope of motion measurements can be used to determine the passive range of motion of the knee joint. It is also believed that the method described here for determining zero-load length can be used for in vitro or in vivo subject-specific computational models.

Computational Knee Ligament Modeling Using Experimentally Determined Zero-Load Lengths

PubMed Central

Bloemker, Katherine H; Guess, Trent M; Maletsky, Lorin; Dodd, Kevin

2012-01-01

This study presents a subject-specific method of determining the zero-load lengths of the cruciate and collateral ligaments in computational knee modeling. Three cadaver knees were tested in a dynamic knee simulator. The cadaver knees also underwent manual envelope of motion testing to find their passive range of motion in order to determine the zero-load lengths for each ligament bundle. Computational multibody knee models were created for each knee and model kinematics were compared to experimental kinematics for a simulated walk cycle. One-dimensional non-linear spring damper elements were used to represent cruciate and collateral ligament bundles in the knee models. This study found that knee kinematics were highly sensitive to altering of the zero-load length. The results also suggest optimal methods for defining each of the ligament bundle zero-load lengths, regardless of the subject. These results verify the importance of the zero-load length when modeling the knee joint and verify that manual envelope of motion measurements can be used to determine the passive range of motion of the knee joint. It is also believed that the method described here for determining zero-load length can be used for in vitro or in vivo subject-specific computational models. PMID:22523522

Accurate quantitative CF-LIBS analysis of both major and minor elements in alloys via iterative correction of plasma temperature and spectral intensity

NASA Astrophysics Data System (ADS)

Shuxia, ZHAO; Lei, ZHANG; Jiajia, HOU; Yang, ZHAO; Wangbao, YIN; Weiguang, MA; Lei, DONG; Liantuan, XIAO; Suotang, JIA

2018-03-01

The chemical composition of alloys directly determines their mechanical behaviors and application fields. Accurate and rapid analysis of both major and minor elements in alloys plays a key role in metallurgy quality control and material classification processes. A quantitative calibration-free laser-induced breakdown spectroscopy (CF-LIBS) analysis method, which carries out combined correction of plasma temperature and spectral intensity by using a second-order iterative algorithm and two boundary standard samples, is proposed to realize accurate composition measurements. Experimental results show that, compared to conventional CF-LIBS analysis, the relative errors for major elements Cu and Zn and minor element Pb in the copper-lead alloys has been reduced from 12%, 26% and 32% to 1.8%, 2.7% and 13.4%, respectively. The measurement accuracy for all elements has been improved substantially.

Experimental studies for determining human discomfort response to vertical sinusoidal vibration

NASA Technical Reports Server (NTRS)

Dempsey, T. K.; Leatherwood, J. D.

1975-01-01

A study was conducted to investigate several problems related to methodology and design of experiments to obtain human comfort response to vertical sinusoidal vibration. Specifically, the studies were directed to the determination of (1) the adequacy of frequency averaging of vibration data to obtain discomfort predictors, (2) the effect of practice on subject ratings, (3) the effect of the demographic factors of age, sex, and weight, and (4) the relative importance of seat and floor vibrations in the determination of measurement and criteria specification location. Results indicate that accurate prediction of discomfort requires knowledge of both the acceleration level and frequency content of the vibration stimuli. More importantly, the prediction of discomfort was shown to be equally good based upon either floor accelerations or seat accelerations. Furthermore, it was demonstrated that the discomfort levels in different seats resulting from similar vibratory imputs were equal. Therefore, it was recommended that criteria specifications and acceleration measurements be made at the floor location. The results also indicated that practice did not systematically influence discomfort responses nor did the demographic factors of age, weight, and sex contribute to the discomfort response variation.

Experimental method for determination of bending and torsional rigidities of advanced composite laminates

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

Maeda, Takenori

1995-11-01

This paper presents an experimental method for the determination of the bending and torsional rigidities of advanced fiber composite laminates with the aid of laser holographic interferometry. The proposed method consists of a four-point bending test and a resonance test. The bending rigidity ratio (D{sub 12}/D{sub 22}) can be determined from the fringe patterns of the four-point bending test. The bending rigidities (D{sub 11} and D{sub 22}) and the torsional rigidity (D{sub 66}) are calculated from the natural frequencies of cantilever plates of the resonance test. The test specimens are carbon/epoxy cross-ply laminates. The adequacy of the experimental method ismore » confirmed by comparing the measured rigidities with the theoretical values obtained from classical lamination theory (CLT) by using the measured tensile properties. The results show that the present method can be used to evaluate the rigidities of orthotropic laminates with reasonably good accuracy.« less

Accurately estimating PSF with straight lines detected by Hough transform

NASA Astrophysics Data System (ADS)

Wang, Ruichen; Xu, Liangpeng; Fan, Chunxiao; Li, Yong

2018-04-01

This paper presents an approach to estimating point spread function (PSF) from low resolution (LR) images. Existing techniques usually rely on accurate detection of ending points of the profile normal to edges. In practice however, it is often a great challenge to accurately localize profiles of edges from a LR image, which hence leads to a poor PSF estimation of the lens taking the LR image. For precisely estimating the PSF, this paper proposes firstly estimating a 1-D PSF kernel with straight lines, and then robustly obtaining the 2-D PSF from the 1-D kernel by least squares techniques and random sample consensus. Canny operator is applied to the LR image for obtaining edges and then Hough transform is utilized to extract straight lines of all orientations. Estimating 1-D PSF kernel with straight lines effectively alleviates the influence of the inaccurate edge detection on PSF estimation. The proposed method is investigated on both natural and synthetic images for estimating PSF. Experimental results show that the proposed method outperforms the state-ofthe- art and does not rely on accurate edge detection.

Determination of well flat band condition in thin film FDSOI transistors using C-V measurement for accurate parameter extraction

NASA Astrophysics Data System (ADS)

Mohamad, B.; Leroux, C.; Reimbold, G.; Ghibaudo, G.

2018-01-01

For advanced gate stacks, effective work function (WFeff) and equivalent oxide thickness (EOT) are fundamental parameters for technology optimization. On FDSOI transistors, and contrary to the bulk technologies, while EOT can still be extracted at strong inversion from the typical gate-to-channel capacitance (Cgc), it is no longer the case for WFeff due to the disappearance of an observable flat band condition on capacitance characteristics. In this work, a new experimental method, the Cbg(VBG) characteristic, is proposed in order to extract the well flat band condition (VFB, W). This characteristic enables an accurate and direct evaluation of WFeff. Moreover, using the previous extraction of the gate oxide (tfox), and buried oxide (tbox) from typical capacitance characteristics (Cgc and Cbc), it allows the extraction of the channel thickness (tch). Furthermore, the measurement of the well flat band condition on Cbg(VBG) characteristics for two different Si and SiGe channel also proves the existence of a dipole at the SiGe/SiO2 interface.

Heavy metal toxicity to bacteria - are the existing growth media accurate enough to determine heavy metal toxicity?

PubMed

Rathnayake, I V N; Megharaj, Mallavarapu; Krishnamurti, G S R; Bolan, Nanthi S; Naidu, Ravi

2013-01-01

A new minimal medium was formulated considering the limitations of the existing media for testing heavy metal sensitivity to bacteria. Toxicity of cadmium and copper to three bacteria was investigated in the new medium and compared with three other media commonly used to study the effect of the toxic metals. Based on speciation data arrived at using ion-selective electrodes, the available free-metal concentration in solution was highest in the MES-buffered medium. This finding was strongly supported by the estimated EC(50) values for the metals tested based on the toxicity bioassays. The free-ionic cadmium and copper concentrations in the medium provide more accurate determination of metal concentrations that affects the bacteria, than with most of other existing media. This will avoid doubts on other media and misleading conclusions relevant to the toxicity of heavy metals to bacteria and provides a better option for the study of metal-bacteria interactions. Copyright © 2012 Elsevier Ltd. All rights reserved.

Robust and accurate vectorization of line drawings.

PubMed

Hilaire, Xavier; Tombre, Karl

2006-06-01

This paper presents a method for vectorizing the graphical parts of paper-based line drawings. The method consists of separating the input binary image into layers of homogeneous thickness, skeletonizing each layer, segmenting the skeleton by a method based on random sampling, and simplifying the result. The segmentation method is robust with a best bound of 50 percent noise reached for indefinitely long primitives. Accurate estimation of the recognized vector's parameters is enabled by explicitly computing their feasibility domains. Theoretical performance analysis and expression of the complexity of the segmentation method are derived. Experimental results and comparisons with other vectorization systems are also provided.

Experimental determination of micromachined discrete and continuous device spring constants using nanoindentation method

NASA Astrophysics Data System (ADS)

Chan, M. L.; Tay, Francis E.; Logeeswaran, V. J.; Zeng, Kaiyang; Shen, Lu; Chau, Fook S.

2002-04-01

A rapid and accurate static and quasi-static method for determining the out-of-plane spring constraints of cantilevers and a micromachined vibratory sensor is presented. In the past, much of the effort in nanoindentation application was to investigate the thin-film mechanical properties. In this paper, we have utilized the nanoindentation method to measure directly some micromachined device (e.g. microgyroscope) spring constants. The cantilevers and devices tested were fabricated using the MUMPS process and an SOI process (patent pending). Spring constants are determined using a commercial nanoindentation apparatus UMIS-2000 configured with both Berkovich and spherical indenter tip that can be placed onto the device with high accuracy. Typical load resolution is 20micrometers N to 0.5N and a displacement resolution of 0.05nm. Information was deduced from the penetration depth versus load curves during both loading and unloading.

Experimental determination of group flux control coefficients in metabolic networks

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

Simpson, T.W.; Shimizu, Hiroshi; Stephanopoulos, G.

1998-04-20

Grouping of reactions around key metabolite branch points can facilitate the study of metabolic control of complex metabolic networks. This top-down Metabolic Control Analysis is exemplified through the introduction of group control coefficients whose magnitudes provide a measure of the relative impact of each reaction group on the overall network flux, as well as on the overall network stability, following enzymatic amplification. In this article, the authors demonstrate the application of previously developed theory to the determination of group flux control coefficients. Experimental data for the changes in metabolic fluxes obtained in response to the introduction of six different environmentalmore » perturbations are used to determine the group flux control coefficients for three reaction groups formed around the phosphoenolpyruvate/pyruvate branch point. The consistency of the obtained group flux control coefficient estimates is systematically analyzed to ensure that all necessary conditions are satisfied. The magnitudes of the determined control coefficients suggest that the control of lysine production flux in Corynebacterium glutamicum cells at a growth base state resides within the lysine biosynthetic pathway that begins with the PEP/PYR carboxylation anaplorotic pathway.« less

Accurate Size and Size-Distribution Determination of Polystyrene Latex Nanoparticles in Aqueous Medium Using Dynamic Light Scattering and Asymmetrical Flow Field Flow Fractionation with Multi-Angle Light Scattering

PubMed Central

Kato, Haruhisa; Nakamura, Ayako; Takahashi, Kayori; Kinugasa, Shinichi

2012-01-01

Accurate determination of the intensity-average diameter of polystyrene latex (PS-latex) by dynamic light scattering (DLS) was carried out through extrapolation of both the concentration of PS-latex and the observed scattering angle. Intensity-average diameter and size distribution were reliably determined by asymmetric flow field flow fractionation (AFFFF) using multi-angle light scattering (MALS) with consideration of band broadening in AFFFF separation. The intensity-average diameter determined by DLS and AFFFF-MALS agreed well within the estimated uncertainties, although the size distribution of PS-latex determined by DLS was less reliable in comparison with that determined by AFFFF-MALS. PMID:28348293

Accurate Identification of Fear Facial Expressions Predicts Prosocial Behavior

PubMed Central

Marsh, Abigail A.; Kozak, Megan N.; Ambady, Nalini

2009-01-01

The fear facial expression is a distress cue that is associated with the provision of help and prosocial behavior. Prior psychiatric studies have found deficits in the recognition of this expression by individuals with antisocial tendencies. However, no prior study has shown accuracy for recognition of fear to predict actual prosocial or antisocial behavior in an experimental setting. In 3 studies, the authors tested the prediction that individuals who recognize fear more accurately will behave more prosocially. In Study 1, participants who identified fear more accurately also donated more money and time to a victim in a classic altruism paradigm. In Studies 2 and 3, participants’ ability to identify the fear expression predicted prosocial behavior in a novel task designed to control for confounding variables. In Study 3, accuracy for recognizing fear proved a better predictor of prosocial behavior than gender, mood, or scores on an empathy scale. PMID:17516803

Accurate identification of fear facial expressions predicts prosocial behavior.

PubMed

Marsh, Abigail A; Kozak, Megan N; Ambady, Nalini

2007-05-01

The fear facial expression is a distress cue that is associated with the provision of help and prosocial behavior. Prior psychiatric studies have found deficits in the recognition of this expression by individuals with antisocial tendencies. However, no prior study has shown accuracy for recognition of fear to predict actual prosocial or antisocial behavior in an experimental setting. In 3 studies, the authors tested the prediction that individuals who recognize fear more accurately will behave more prosocially. In Study 1, participants who identified fear more accurately also donated more money and time to a victim in a classic altruism paradigm. In Studies 2 and 3, participants' ability to identify the fear expression predicted prosocial behavior in a novel task designed to control for confounding variables. In Study 3, accuracy for recognizing fear proved a better predictor of prosocial behavior than gender, mood, or scores on an empathy scale.

Final Progress Report: Isotope Identification Algorithm for Rapid and Accurate Determination of Radioisotopes Feasibility Study

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

Rawool-Sullivan, Mohini; Bounds, John Alan; Brumby, Steven P.

2012-04-30

This is the final report of the project titled, 'Isotope Identification Algorithm for Rapid and Accurate Determination of Radioisotopes,' PMIS project number LA10-HUMANID-PD03. The goal of the work was to demonstrate principles of emulating a human analysis approach towards the data collected using radiation isotope identification devices (RIIDs). It summarizes work performed over the FY10 time period. The goal of the work was to demonstrate principles of emulating a human analysis approach towards the data collected using radiation isotope identification devices (RIIDs). Human analysts begin analyzing a spectrum based on features in the spectrum - lines and shapes that aremore » present in a given spectrum. The proposed work was to carry out a feasibility study that will pick out all gamma ray peaks and other features such as Compton edges, bremsstrahlung, presence/absence of shielding and presence of neutrons and escape peaks. Ultimately success of this feasibility study will allow us to collectively explain identified features and form a realistic scenario that produced a given spectrum in the future. We wanted to develop and demonstrate machine learning algorithms that will qualitatively enhance the automated identification capabilities of portable radiological sensors that are currently being used in the field.« less

An Accurate Method for Measuring Airplane-Borne Conformal Antenna's Radar Cross Section

NASA Astrophysics Data System (ADS)

Guo, Shuxia; Zhang, Lei; Wang, Yafeng; Hu, Chufeng

2016-09-01

The airplane-borne conformal antenna attaches itself tightly with the airplane skin, so the conventional measurement method cannot determine the contribution of the airplane-borne conformal antenna to its radar cross section (RCS). This paper uses the 2D microwave imaging to isolate and extract the distribution of the reflectivity of the airplane-borne conformal antenna. It obtains the 2D spatial spectra of the conformal antenna through the wave spectral transform between the 2D spatial image and the 2D spatial spectrum. After the interpolation from the rectangular coordinate domain to the polar coordinate domain, the spectral domain data for the variation of the scatter of the conformal antenna with frequency and angle is obtained. The experimental results show that the measurement method proposed in this paper greatly enhances the airplane-borne conformal antenna's RCS measurement accuracy, essentially eliminates the influences caused by the airplane skin and more accurately reveals the airplane-borne conformal antenna's RCS scatter properties.

Experimentally Determined Overall Heat Transfer Coefficients for Spacesuit Liquid Cooled Garments

NASA Technical Reports Server (NTRS)

Bue, Grant; Rhodes, Richard; Anchondo, Ian; Westheimer, David; Campbell, Colin; Vogel, Matt; Vonaue, Walt; Conger, Bruce; Stein, James

2015-01-01

A Human-In-The-Loop (HITL) Portable Life Support System 2.0 (PLSS 2.0) test has been conducted at NASA Johnson Space Center in the PLSS Development Laboratory from October 27, 2014 to December 19, 2014. These closed-loop tests of the PLSS 2.0 system integrated with human subjects in the Mark III Suit at 3.7 psi to 4.3 psi above ambient pressure performing treadmill exercise at various metabolic rates from standing rest to 3000 BTU/hr (880 W). The bulk of the PLSS 2.0 was at ambient pressure but effluent water vapor from the Spacesuit Water Membrane Evaporator (SWME) and the Auxiliary Membrane Evaporator (Mini-ME), and effluent carbon dioxide from the Rapid Cycle Amine (RCA) were ported to vacuum to test performance of these components in flight-like conditions. One of the objectives of this test was to determine the overall heat transfer coefficient (UA) of the Liquid Cooling Garment (LCG). The UA, an important factor for modeling the heat rejection of an LCG, was determined in a variety of conditions by varying inlet water temperature, flow rate, and metabolic rate. Three LCG configurations were tested: the Extravehicular Mobility Unit (EMU) LCG, the Oceaneering Space Systems (OSS) LCG, and the OSS auxiliary LCG. Other factors influencing accurate UA determination, such as overall heat balance, LCG fit, and the skin temperature measurement, will also be discussed.

Accurately Mapping M31's Microlensing Population

NASA Astrophysics Data System (ADS)

Crotts, Arlin

2004-07-01

We propose to augment an existing microlensing survey of M31 with source identifications provided by a modest amount of ACS {and WFPC2 parallel} observations to yield an accurate measurement of the masses responsible for microlensing in M31, and presumably much of its dark matter. The main benefit of these data is the determination of the physical {or "einstein"} timescale of each microlensing event, rather than an effective {"FWHM"} timescale, allowing masses to be determined more than twice as accurately as without HST data. The einstein timescale is the ratio of the lensing cross-sectional radius and relative velocities. Velocities are known from kinematics, and the cross-section is directly proportional to the {unknown} lensing mass. We cannot easily measure these quantities without knowing the amplification, hence the baseline magnitude, which requires the resolution of HST to find the source star. This makes a crucial difference because M31 lens m ass determinations can be more accurate than those towards the Magellanic Clouds through our Galaxy's halo {for the same number of microlensing events} due to the better constrained geometry in the M31 microlensing situation. Furthermore, our larger survey, just completed, should yield at least 100 M31 microlensing events, more than any Magellanic survey. A small amount of ACS+WFPC2 imaging will deliver the potential of this large database {about 350 nights}. For the whole survey {and a delta-function mass distribution} the mass error should approach only about 15%, or about 6% error in slope for a power-law distribution. These results will better allow us to pinpoint the lens halo fraction, and the shape of the halo lens spatial distribution, and allow generalization/comparison of the nature of halo dark matter in spiral galaxies. In addition, we will be able to establish the baseline magnitude for about 50, 000 variable stars, as well as measure an unprecedentedly deta iled color-magnitude diagram and luminosity

Experimental determination of the effective point of measurement of cylindrical ionization chambers for high-energy photon and electron beams.

PubMed

Huang, Yanxiao; Willomitzer, Christian; Zakaria, Golam Abu; Hartmann, Guenther H

2010-01-01

Measurements of depth-dose curves in water phantom using a cylindrical ionization chamber require that its effective point of measurement is located at the measuring depth. Recommendations for the position of the effective point of measurement with respect to the central axis valid for high-energy electron and photon beams are given in dosimetry protocols. According to these protocols, the use of a constant shift P(eff) is currently recommended. However, this is still based on a very limited set of experimental results. It is therefore expected that an improved knowledge of the exact position of the effective point of measurement will further improve the accuracy of dosimetry. Recent publications have revealed that the position of the effective point of measurement is indeed varying with beam energy, field size and also with chamber geometry. The aim of this study is to investigate whether the shift of P(eff) can be taken to be constant and independent from the beam energy. An experimental determination of the effective point of measurement is presented based on a comparison between cylindrical chambers and a plane-parallel chamber using conventional dosimetry equipment. For electron beams, the determination is based on the comparison of halfvalue depth R(50) between the cylindrical chamber of interest and a well guarded plane-parallel Roos chamber. For photon beams, the depth of dose maximum, d(max), the depth of 80% dose, d(80), and the dose parameter PDD(10) were used. It was again found that the effective point of measurement for both, electron and photon beams Dosimetry, depends on the beam energy. The deviation from a constant value remains very small for photons, whereas significant deviations were found for electrons. It is therefore concluded that use of a single upstream shift value from the centre of the cylindrical chamber as recommended in current dosimetry protocols is adequate for photons, however inadequate for accurate electron beam dosimetry.

Predictive and Experimental Approaches for Elucidating Protein–Protein Interactions and Quaternary Structures

PubMed Central

Nealon, John Oliver; Philomina, Limcy Seby

2017-01-01

The elucidation of protein–protein interactions is vital for determining the function and action of quaternary protein structures. Here, we discuss the difficulty and importance of establishing protein quaternary structure and review in vitro and in silico methods for doing so. Determining the interacting partner proteins of predicted protein structures is very time-consuming when using in vitro methods, this can be somewhat alleviated by use of predictive methods. However, developing reliably accurate predictive tools has proved to be difficult. We review the current state of the art in predictive protein interaction software and discuss the problem of scoring and therefore ranking predictions. Current community-based predictive exercises are discussed in relation to the growth of protein interaction prediction as an area within these exercises. We suggest a fusion of experimental and predictive methods that make use of sparse experimental data to determine higher resolution predicted protein interactions as being necessary to drive forward development. PMID:29206185

Accurate bond energies of hydrocarbons from complete basis set extrapolated multi-reference singles and doubles configuration interaction.

PubMed

Oyeyemi, Victor B; Pavone, Michele; Carter, Emily A

2011-12-09

Quantum chemistry has become one of the most reliable tools for characterizing the thermochemical underpinnings of reactions, such as bond dissociation energies (BDEs). The accurate prediction of these particular properties (BDEs) are challenging for ab initio methods based on perturbative corrections or coupled cluster expansions of the single-determinant Hartree-Fock wave function: the processes of bond breaking and forming are inherently multi-configurational and require an accurate description of non-dynamical electron correlation. To this end, we present a systematic ab initio approach for computing BDEs that is based on three components: 1) multi-reference single and double excitation configuration interaction (MRSDCI) for the electronic energies; 2) a two-parameter scheme for extrapolating MRSDCI energies to the complete basis set limit; and 3) DFT-B3LYP calculations of minimum-energy structures and vibrational frequencies to account for zero point energy and thermal corrections. We validated our methodology against a set of reliable experimental BDE values of CC and CH bonds of hydrocarbons. The goal of chemical accuracy is achieved, on average, without applying any empirical corrections to the MRSDCI electronic energies. We then use this composite scheme to make predictions of BDEs in a large number of hydrocarbon molecules for which there are no experimental data, so as to provide needed thermochemical estimates for fuel molecules. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Standardizing a simpler, more sensitive and accurate tail bleeding assay in mice

PubMed Central

Liu, Yang; Jennings, Nicole L; Dart, Anthony M; Du, Xiao-Jun

2012-01-01

AIM: To optimize the experimental protocols for a simple, sensitive and accurate bleeding assay. METHODS: Bleeding assay was performed in mice by tail tip amputation, immersing the tail in saline at 37 °C, continuously monitoring bleeding patterns and measuring bleeding volume from changes in the body weight. Sensitivity and extent of variation of bleeding time and bleeding volume were compared in mice treated with the P2Y receptor inhibitor prasugrel at various doses or in mice deficient of FcRγ, a signaling protein of the glycoprotein VI receptor. RESULTS: We described details of the bleeding assay with the aim of standardizing this commonly used assay. The bleeding assay detailed here was simple to operate and permitted continuous monitoring of bleeding pattern and detection of re-bleeding. We also reported a simple and accurate way of quantifying bleeding volume from changes in the body weight, which correlated well with chemical assay of hemoglobin levels (r2 = 0.990, P < 0.0001). We determined by tail bleeding assay the dose-effect relation of the anti-platelet drug prasugrel from 0.015 to 5 mg/kg. Our results showed that the correlation of bleeding time and volume was unsatisfactory and that compared with the bleeding time, bleeding volume was more sensitive in detecting a partial inhibition of platelet’s haemostatic activity (P < 0.01). Similarly, in mice with genetic disruption of FcRγ as a signaling molecule of P-selectin glycoprotein ligand-1 leading to platelet dysfunction, both increased bleeding volume and repeated bleeding pattern defined the phenotype of the knockout mice better than that of a prolonged bleeding time. CONCLUSION: Determination of bleeding pattern and bleeding volume, in addition to bleeding time, improved the sensitivity and accuracy of this assay, particularly when platelet function is partially inhibited. PMID:24520531

Direct Measurement of Initial 230TH/ 232TH Ratios in Central Texas Speleothems for More Accurate Age Determination

NASA Astrophysics Data System (ADS)

Wortham, B. E.; Banner, J. L.; James, E.; Loewy, S. L.

2013-12-01

Speleothems, calcite deposits in caves, preserve a record of climate in their growth rate, isotope ratios and trace element concentrations. These variables must be tied to precise ages to produce pre-instrumental records of climate. The 238U-234U- 230Th disequilibrium method of dating can yield precise ages if the amount of 230Th from the decay of radiogenic 238U can be constrained. 230Th in a speleothem calcite growth layer has two potential sources - 1) decay of radioactive 238U since the time of growth of the calcite layer; and 2) initial detrital 230Th, incorporated along with detrital 232Th, into the calcite layer at the time it grew. Although the calcite lattice does not typically incorporate Th, samples can contain impurities with relatively high Th contents. Initial 230Th/232Th is commonly estimated by assuming a source with bulk-Earth U/Th values in a state of secular equilibrium in the 238U-decay chain. The uncertainty in this 230Th/232Th estimate is also assumed, typically at +/-100%. Both assumptions contribute to uncertainty in ages determined for young speleothems. If the amount of initial detrital 230Th can be better quantified for samples or sites, then U-series ages will have smaller uncertainties and more precisely define the time series of climate proxies. This study determined the initial 230Th/232Th of modern calcite to provide more precise dates for central Texas speleothems. Calcite was grown on glass-plate substrates placed under active drips in central Texas caves. The 230Th/232Th of this modern calcite was determined using thermal ionization mass spectrometry. Results show that: 1) initial 230Th/232Th ratios can be accurately determined in these young samples and 2) measuring 230Th/232Th reduces the uncertainties in previously-determined ages on stalagmites from under the same drips. For example, measured initial 230Th/232Th in calcite collected on substrates from different locations in the cave at Westcave Preserve are 15.3 × 0.67 ppm

Direct experimental determination of the topological winding number of skyrmions in Cu2OSeO3

NASA Astrophysics Data System (ADS)

Zhang, S. L.; van der Laan, G.; Hesjedal, T.

2017-02-01

The mathematical concept of topology has brought about significant advantages that allow for a fundamental understanding of the underlying physics of a system. In magnetism, the topology of spin order manifests itself in the topological winding number which plays a pivotal role for the determination of the emergent properties of a system. However, the direct experimental determination of the topological winding number of a magnetically ordered system remains elusive. Here, we present a direct relationship between the topological winding number of the spin texture and the polarized resonant X-ray scattering process. This relationship provides a one-to-one correspondence between the measured scattering signal and the winding number. We demonstrate that the exact topological quantities of the skyrmion material Cu2OSeO3 can be directly experimentally determined this way. This technique has the potential to be applicable to a wide range of materials, allowing for a direct determination of their topological properties.

Experimental determination of the turbulence in a liquid rocket combustion chamber

NASA Technical Reports Server (NTRS)

Hara, J.; Smith, L. O.; Partus, F. P.

1972-01-01

The intensity of turbulence and the Lagrangian correlation coefficient for a liquid rocket combustion chamber were determined experimentally using the tracer gas diffusion method. The results indicate that the turbulent diffusion process can be adequately modeled by the one-dimensional Taylor theory; however, the numerical values show significant disagreement with previously accepted values. The intensity of turbulence is higher by a factor of about two, while the Lagrangian correlation coefficient which was assumed to be unity in the past is much less than unity.

Theoretical and experimental evidence of non-symmetric doubly localized rogue waves.

PubMed

He, Jingsong; Guo, Lijuan; Zhang, Yongshuai; Chabchoub, Amin

2014-11-08

We present determinant expressions for vector rogue wave (RW) solutions of the Manakov system, a two-component coupled nonlinear Schrödinger (NLS) equation. As a special case, we generate a family of exact and non-symmetric RW solutions of the NLS equation up to third order, localized in both space and time. The derived non-symmetric doubly localized second-order solution is generated experimentally in a water wave flume for deep-water conditions. Experimental results, confirming the characteristic non-symmetric pattern of the solution, are in very good agreement with theory as well as with numerical simulations, based on the modified NLS equation, known to model accurately the dynamics of weakly nonlinear wave packets in deep water.

Improvement of experimental testing and network training conditions with genome-wide microarrays for more accurate predictions of drug gene targets

PubMed Central

2014-01-01

Background Genome-wide microarrays have been useful for predicting chemical-genetic interactions at the gene level. However, interpreting genome-wide microarray results can be overwhelming due to the vast output of gene expression data combined with off-target transcriptional responses many times induced by a drug treatment. This study demonstrates how experimental and computational methods can interact with each other, to arrive at more accurate predictions of drug-induced perturbations. We present a two-stage strategy that links microarray experimental testing and network training conditions to predict gene perturbations for a drug with a known mechanism of action in a well-studied organism. Results S. cerevisiae cells were treated with the antifungal, fluconazole, and expression profiling was conducted under different biological conditions using Affymetrix genome-wide microarrays. Transcripts were filtered with a formal network-based method, sparse simultaneous equation models and Lasso regression (SSEM-Lasso), under different network training conditions. Gene expression results were evaluated using both gene set and single gene target analyses, and the drug’s transcriptional effects were narrowed first by pathway and then by individual genes. Variables included: (i) Testing conditions – exposure time and concentration and (ii) Network training conditions – training compendium modifications. Two analyses of SSEM-Lasso output – gene set and single gene – were conducted to gain a better understanding of how SSEM-Lasso predicts perturbation targets. Conclusions This study demonstrates that genome-wide microarrays can be optimized using a two-stage strategy for a more in-depth understanding of how a cell manifests biological reactions to a drug treatment at the transcription level. Additionally, a more detailed understanding of how the statistical model, SSEM-Lasso, propagates perturbations through a network of gene regulatory interactions is achieved

Precision determination of electron scattering angle by differential nuclear recoil energy method

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

Liyanage, N.; Saenboonruang, K.

2015-12-01

The accurate determination of the scattered electron angle is crucial to electron scattering experiments, both with open-geometry large-acceptance spectrometers and ones with dipole-type magnetic spectrometers for electron detection. In particular, for small central-angle experiments using dipole-type magnetic spectrometers, in which surveys are used to measure the spectrometer angle with respect to the primary electron beam, the importance of the scattering angle determination is emphasized. However, given the complexities of large experiments and spectrometers, the accuracy of such surveys is limited and insufficient to meet demands of some experiments. In this article, we present a new technique for determination of themore » electron scattering angle based on an accurate measurement of the primary beam energy and the principle of differential nuclear recoil. This technique was used to determine the scattering angle for several experiments carried out at the Experimental Hall A, Jefferson Lab. Results have shown that the new technique greatly improved the accuracy of the angle determination compared to surveys.« less

Precision Determination of Electron Scattering Angle by Differential Nuclear Recoil Energy Method

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

Liyanage, Nilanga; Saenboonruang, Kiadtisak

2015-09-01

The accurate determination of the scattered electron angle is crucial to electron scattering experiments, both with open-geometry large-acceptance spectrometers and ones with dipole-type magnetic spectrometers for electron detection. In particular, for small central-angle experiments using dipole-type magnetic spectrometers, in which surveys are used to measure the spectrometer angle with respect to the primary electron beam, the importance of the scattering angle determination is emphasized. However, given the complexities of large experiments and spectrometers, the accuracy of such surveys is limited and insufficient to meet demands of some experiments. In this article, we present a new technique for determination of themore » electron scattering angle based on an accurate measurement of the primary beam energy and the principle of differential nuclear recoil. This technique was used to determine the scattering angle for several experiments carried out at the Experimental Hall A, Jefferson Lab. Results have shown that the new technique greatly improved the accuracy of the angle determination compared to surveys.« less

Alternative method to determine Specific Activity of (177)Lu by HPLC.

PubMed

Breeman, Wouter A P; de Zanger, Rory M S; Chan, Ho Sze; de Blois, Erik

2015-01-01

Peptide Receptor Radionuclide Therapy (PRRT) with (177)Lu-DOTA-peptides requires (177)Lu with high specific activity (SA) and values >740 GBq (177)Lu per mg Lu to maximise the atom% of (177)Lu over total Lu. Vendors provide SA values which are based on activity and mass of the target, whereas due to "burn-up" of target, these SA values are not accurate. For a radiochemist the SA of (177)Lu is of interest prior to radiolabeling. An alternative method to determine SA was developed by HPLC, which includes a metal titration of a known amount of DOTA-peptide with a known amount of activity ((177)Lu), and a unknown amount of metal ((177+nat)Lu). Based on an HPLC separation of radiometal-DOTA-peptide and DOTA-peptide, and the concordant ratio of these components the metal content ((177+nat)Lu) can be calculated, and eventually the SA of (177)Lu can be accurately determined. These experimentally determined SA values exceeded the estimated values provided by vendors by 27 ± 16%, (range 6-73 %). The deviation of SA values for samples from the same Lu batch was <2% (n ≥ 10). the SA of (177)Lu is apparently often higher as stated by vendors in comparison to the experimentally determined actual values. For this reason, the SA of (177)Lu-DOTA-TATE and other Lu-DOTA-peptides could be increased accordingly.

The experimental determination of atmospheric absorption from aircraft acoustic flight tests

NASA Technical Reports Server (NTRS)

Miller, R. L.; Oncley, P. B.

1971-01-01

A method for determining atmospheric absorption coefficients from acoustic flight test data is presented. Measurements from five series of acoustic flight tests were included in the study. The number of individual flights totaled 24: six Boeing 707 flights performed in May 1969 in connection with the turbofan nacelle modification program, eight flights from Boeing tests conducted during the same period, and 10 flights of the Boeing 747 airplane. The effects of errors in acoustic, meteorological, and aircraft performance and position measurements are discussed. Tabular data of the estimated sample variance of the data for each test are given for source directivity angles from 75 deg to 120 deg and each 1/3-octave frequency band. Graphic comparisons are made of absorption coefficients derived from ARP 866, using atmospheric profile data, with absorption coefficients determined by the experimental method described in the report.

Nuclear medicine technologists are able to accurately determine when a myocardial perfusion rest study is necessary

PubMed Central

2012-01-01

Background In myocardial perfusion scintigraphy (MPS), typically a stress and a rest study is performed. If the stress study is considered normal, there is no need for a subsequent rest study. The aim of the study was to determine whether nuclear medicine technologists are able to assess the necessity of a rest study. Methods Gated MPS using a 2-day 99mTc protocol for 121 consecutive patients were studied. Visual interpretation by 3 physicians was used as gold standard for determining the need for a rest study based on the stress images. All nuclear medicine technologists performing MPS had to review 82 training cases of stress MPS images with comments regarding the need for rest studies, and thereafter a test consisting of 20 stress MPS images. After passing this test, the nuclear medicine technologists in charge of a stress MPS study assessed whether a rest study was needed or not or if he/she was uncertain and wanted to consult a physician. After that, the physician in charge interpreted the images and decided whether a rest study was required or not. Results The nuclear medicine technologists and the physicians in clinical routine agreed in 103 of the 107 cases (96%) for which the technologists felt certain regarding the need for a rest study. In the remaining 14 cases the technologists were uncertain, i.e. wanted to consult a physician. The agreement between the technologists and the physicians in clinical routine was very good, resulting in a kappa value of 0.92. There was no statistically significant difference in the evaluations made by technicians and physicians (P = 0.617). Conclusions The nuclear medicine technologists were able to accurately determine whether a rest study was necessary. There was very good agreement between nuclear medicine technologists and physicians in the assessment of the need for a rest study. If the technologists can make this decision, the effectiveness of the nuclear medicine department will improve. PMID:22947251

Accurate physical laws can permit new standard units: The two laws F→=ma→ and the proportionality of weight to mass

NASA Astrophysics Data System (ADS)

Saslow, Wayne M.

2014-04-01

Three common approaches to F→=ma→ are: (1) as an exactly true definition of force F→ in terms of measured inertial mass m and measured acceleration a→; (2) as an exactly true axiom relating measured values of a→, F→ and m; and (3) as an imperfect but accurately true physical law relating measured a→ to measured F→, with m an experimentally determined, matter-dependent constant, in the spirit of the resistance R in Ohm's law. In the third case, the natural units are those of a→ and F→, where a→ is normally specified using distance and time as standard units, and F→ from a spring scale as a standard unit; thus mass units are derived from force, distance, and time units such as newtons, meters, and seconds. The present work develops the third approach when one includes a second physical law (again, imperfect but accurate)—that balance-scale weight W is proportional to m—and the fact that balance-scale measurements of relative weight are more accurate than those of absolute force. When distance and time also are more accurately measurable than absolute force, this second physical law permits a shift to standards of mass, distance, and time units, such as kilograms, meters, and seconds, with the unit of force—the newton—a derived unit. However, were force and distance more accurately measurable than time (e.g., time measured with an hourglass), this second physical law would permit a shift to standards of force, mass, and distance units such as newtons, kilograms, and meters, with the unit of time—the second—a derived unit. Therefore, the choice of the most accurate standard units depends both on what is most accurately measurable and on the accuracy of physical law.

Determination of esophageal eosinophil counts and other histologic features of eosinophilic esophagitis by pathology trainees is highly accurate

PubMed Central

Rusin, Spencer; Covey, Shannon; Perjar, Irina; Hollyfield, Johnny; Speck, Olga; Woodward, Kimberly; Woosley, John T.; Dellon, Evan S.

2017-01-01

Summary Many studies of eosinophilic esophagitis (EoE) utilize expert pathology review, but it is unknown whether less experienced pathologists can reliably assess EoE histology. We aimed to determine whether trainee pathologists can accurately quantify esophageal eosinophil counts and identify associated histologic features of EoE, as compared to expert pathologists. We used a set of 40 digitized slides from patients with varying degrees of esophageal eosinophilia. Each of six trainee pathologists underwent a teaching session and used our validated protocol to determine eosinophil counts and associated EoE findings. The same slides had previously been evaluated by expert pathologists, and these results comprised the gold standard. Eosinophil counts were correlated, and agreement was calculated for the diagnostic threshold of 15 eosinophils per high-power field (eos/hpf) as well as for associated EoE findings. Peak eosinophil counts were highly correlated between the trainees and the gold standard (Rho ranged from 0.87–0.92; p<0.001 for all). Peak counts were also highly correlated between trainees (0.75–0.91; p<0.001), and results were similar for mean counts. Agreement was excellent for determining if a count exceeded the diagnostic threshold (kappa ranged from 0.83 to 0.89; p<0.001). Agreement was very good for eosinophil degranulation (kappa 0.54 to 0.83; p<0.01) and spongiosis (kappa 0.44–0.87; p<0.01), but was lower for eosinophil microabscesses (kappa 0.37–0.64; p<0.01). In conclusion, using a teaching session, digitized slide set, and validated protocol, the agreement between pathology trainees and expert pathologists for determining eosinophil counts was excellent. Agreement was very good for eosinophil degranulation and spongiosis, but less so for microabscesses. PMID:28041975

Determination of esophageal eosinophil counts and other histologic features of eosinophilic esophagitis by pathology trainees is highly accurate.

PubMed

Rusin, Spencer; Covey, Shannon; Perjar, Irina; Hollyfield, Johnny; Speck, Olga; Woodward, Kimberly; Woosley, John T; Dellon, Evan S

2017-04-01

Many studies of eosinophilic esophagitis (EoE) use expert pathology review, but it is unknown whether less experienced pathologists can reliably assess EoE histology. We aimed to determine whether trainee pathologists can accurately quantify esophageal eosinophil counts and identify associated histologic features of EoE, as compared with expert pathologists. We used a set of 40 digitized slides from patients with varying degrees of esophageal eosinophilia. Each of 6 trainee pathologists underwent a teaching session and used our validated protocol to determine eosinophil counts and associated EoE findings. The same slides had previously been evaluated by expert pathologists, and these results comprised the criterion standard. Eosinophil counts were correlated, and agreement was calculated for the diagnostic threshold of 15 eosinophils per high-power field as well as for associated EoE findings. Peak eosinophil counts were highly correlated between the trainees and the criterion standard (ρ ranged from 0.87 to 0.92; P<.001 for all). Peak counts were also highly correlated between trainees (0.75-0.91; P<.001), and results were similar for mean counts. Agreement was excellent for determining if a count exceeded the diagnostic threshold (κ ranged from 0.83 to 0.89; P<.001). Agreement was very good for eosinophil degranulation (κ = 0.54-0.83; P<.01) and spongiosis (κ = 0.44-0.87; P<.01) but was lower for eosinophil microabscesses (κ = 0.37-0.64; P<.01). In conclusion, using a teaching session, digitized slide set, and validated protocol, the agreement between pathology trainees and expert pathologists for determining eosinophil counts was excellent. Agreement was very good for eosinophil degranulation and spongiosis but less so for microabscesses. Copyright © 2016 Elsevier Inc. All rights reserved.

Method for accurate growth of vertical-cavity surface-emitting lasers

DOEpatents

Chalmers, Scott A.; Killeen, Kevin P.; Lear, Kevin L.

1995-01-01

We report a method for accurate growth of vertical-cavity surface-emitting lasers (VCSELs). The method uses a single reflectivity spectrum measurement to determine the structure of the partially completed VCSEL at a critical point of growth. This information, along with the extracted growth rates, allows imprecisions in growth parameters to be compensated for during growth of the remaining structure, which can then be completed with very accurate critical dimensions. Using this method, we can now routinely grow lasing VCSELs with Fabry-Perot cavity resonance wavelengths controlled to within 0.5%.

Method for accurate growth of vertical-cavity surface-emitting lasers

DOEpatents

Chalmers, S.A.; Killeen, K.P.; Lear, K.L.

1995-03-14

The authors report a method for accurate growth of vertical-cavity surface-emitting lasers (VCSELs). The method uses a single reflectivity spectrum measurement to determine the structure of the partially completed VCSEL at a critical point of growth. This information, along with the extracted growth rates, allows imprecisions in growth parameters to be compensated for during growth of the remaining structure, which can then be completed with very accurate critical dimensions. Using this method, they can now routinely grow lasing VCSELs with Fabry-Perot cavity resonance wavelengths controlled to within 0.5%. 4 figs.

Accurate modelling of unsteady flows in collapsible tubes.

PubMed

Marchandise, Emilie; Flaud, Patrice

2010-01-01

The context of this paper is the development of a general and efficient numerical haemodynamic tool to help clinicians and researchers in understanding of physiological flow phenomena. We propose an accurate one-dimensional Runge-Kutta discontinuous Galerkin (RK-DG) method coupled with lumped parameter models for the boundary conditions. The suggested model has already been successfully applied to haemodynamics in arteries and is now extended for the flow in collapsible tubes such as veins. The main difference with cardiovascular simulations is that the flow may become supercritical and elastic jumps may appear with the numerical consequence that scheme may not remain monotone if no limiting procedure is introduced. We show that our second-order RK-DG method equipped with an approximate Roe's Riemann solver and a slope-limiting procedure allows us to capture elastic jumps accurately. Moreover, this paper demonstrates that the complex physics associated with such flows is more accurately modelled than with traditional methods such as finite difference methods or finite volumes. We present various benchmark problems that show the flexibility and applicability of the numerical method. Our solutions are compared with analytical solutions when they are available and with solutions obtained using other numerical methods. Finally, to illustrate the clinical interest, we study the emptying process in a calf vein squeezed by contracting skeletal muscle in a normal and pathological subject. We compare our results with experimental simulations and discuss the sensitivity to parameters of our model.

Optimization of ultrasound-assisted dispersive solid-phase microextraction based on nanoparticles followed by spectrophotometry for the simultaneous determination of dyes using experimental design.

PubMed

Asfaram, Arash; Ghaedi, Mehrorang; Goudarzi, Alireza

2016-09-01

A simple, low cost and ultrasensitive method for the simultaneous preconcentration and determination of trace amount of auramine-O and malachite green in aqueous media following accumulation on novel and lower toxicity nanomaterials by ultrasound-assisted dispersive solid phase micro-extraction (UA-DSPME) procedure combined with spectrophotometric has been described. The Mn doped ZnS nanoparticles loaded on activated carbon were characterized by Field emission scanning electron microscopy (FE-SEM), particle size distribution, X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR) analyses and subsequently were used as green and efficient material for dyes accumulation. Contribution of experimental variables such as ultrasonic time, ultrasonic temperature, adsorbent mass, vortex time, ionic strength, pH and elution volume were optimized through experimental design, and while the preconcentrated analytes were efficiently eluted by acetone. Preliminary Plackett-Burman design was applied for selection of most significant factors and giving useful information about their main and interaction part of significant variables like ultrasonic time, adsorbent mass, elution volume and pH were obtained by central composite design combined with response surface analysis and optimum experimental conditions was set at pH of 8.0, 1.2mg of adsorbent, 150μL eluent and 3.7min sonication. Under optimized conditions, the average recoveries (five replicates) for two dyes (spiked at 500.0ngmL(-1)) changes in the range of 92.80-97.70% with acceptable RSD% less than 4.0% over a linear range of 3.0-5000.0ngmL(-1) for the AO and MG in water samples with regression coefficients (R(2)) of 0.9975 and 0.9977, respectively. Acceptable limits of detection of 0.91 and 0.61ngmL(-1) for AO and MG, respectively and high accuracy and repeatability are unique advantages of present method to improve the figures of merit for their accurate determination at trace level in complicated

Determination of Time Dependent Virus Inactivation Rates

NASA Astrophysics Data System (ADS)

Chrysikopoulos, C. V.; Vogler, E. T.

2003-12-01

A methodology is developed for estimating temporally variable virus inactivation rate coefficients from experimental virus inactivation data. The methodology consists of a technique for slope estimation of normalized virus inactivation data in conjunction with a resampling parameter estimation procedure. The slope estimation technique is based on a relatively flexible geostatistical method known as universal kriging. Drift coefficients are obtained by nonlinear fitting of bootstrap samples and the corresponding confidence intervals are obtained by bootstrap percentiles. The proposed methodology yields more accurate time dependent virus inactivation rate coefficients than those estimated by fitting virus inactivation data to a first-order inactivation model. The methodology is successfully applied to a set of poliovirus batch inactivation data. Furthermore, the importance of accurate inactivation rate coefficient determination on virus transport in water saturated porous media is demonstrated with model simulations.

Hydrodynamic Radii of Intrinsically Disordered Proteins Determined from Experimental Polyproline II Propensities

PubMed Central

Tomasso, Maria E.; Tarver, Micheal J.; Devarajan, Deepa; Whitten, Steven T.

2016-01-01

The properties of disordered proteins are thought to depend on intrinsic conformational propensities for polyproline II (PP II) structure. While intrinsic PP II propensities have been measured for the common biological amino acids in short peptides, the ability of these experimentally determined propensities to quantitatively reproduce structural behavior in intrinsically disordered proteins (IDPs) has not been established. Presented here are results from molecular simulations of disordered proteins showing that the hydrodynamic radius (R h) can be predicted from experimental PP II propensities with good agreement, even when charge-based considerations are omitted. The simulations demonstrate that R h and chain propensity for PP II structure are linked via a simple power-law scaling relationship, which was tested using the experimental R h of 22 IDPs covering a wide range of peptide lengths, net charge, and sequence composition. Charge effects on R h were found to be generally weak when compared to PP II effects on R h. Results from this study indicate that the hydrodynamic dimensions of IDPs are evidence of considerable sequence-dependent backbone propensities for PP II structure that qualitatively, if not quantitatively, match conformational propensities measured in peptides. PMID:26727467

An accurate computational method for the diffusion regime verification

NASA Astrophysics Data System (ADS)

Zhokh, Alexey A.; Strizhak, Peter E.

2018-04-01

The diffusion regime (sub-diffusive, standard, or super-diffusive) is defined by the order of the derivative in the corresponding transport equation. We develop an accurate computational method for the direct estimation of the diffusion regime. The method is based on the derivative order estimation using the asymptotic analytic solutions of the diffusion equation with the integer order and the time-fractional derivatives. The robustness and the computational cheapness of the proposed method are verified using the experimental methane and methyl alcohol transport kinetics through the catalyst pellet.

Development of accurate potentials to explore the structure of water on 2D materials

NASA Astrophysics Data System (ADS)

Bejagam, Karteek; Singh, Samrendra; Deshmukh, Sanket; Deshmkuh Group Team; Samrendra Group Collaboration

Water play an important role in many biological and non-biological process. Thus structure of water at various interfaces and under confinement has always been the topic of immense interest. 2-D materials have shown great potential in surface coating applications and nanofluidic devices. However, the exact atomic level understanding of the wettability of single layer of these 2-D materials is still lacking mainly due to lack of experimental techniques and computational methodologies including accurate force-field potentials and algorithms to measure the contact angle of water. In the present study, we have developed a new algorithm to measure the accurate contact angle between water and 2-D materials. The algorithm is based on fitting the best sphere to the shape of the droplet. This novel spherical fitting method accounts for every individual molecule of the droplet, rather than those at the surface only. We employ this method of contact angle measurements to develop the accurate non-bonded potentials between water and 2-D materials including graphene and boron nitride (BN) to reproduce the experimentally observed contact angle of water on these 2-D materials. Different water models such as SPC, SPC/Fw, and TIP3P were used to study the structure of water at the interfaces.

Magnetohydrodynamic generator experimental studies

NASA Technical Reports Server (NTRS)

Pierson, E. S.

1972-01-01

The results for an experimental study of a one wavelength MHD induction generator operating on a liquid flow are presented. First the design philosophy and the experimental generator design are summarized, including a description of the flow loop and instrumentation. Next a Fourier series method of treating the fact that the magnetic flux density produced by the stator is not a pure traveling sinusoid is described and some results summarized. This approach appears to be of interest after revisions are made, but the initial results are not accurate. Finally, some of the experimental data is summarized for various methods of excitation.

Accurate prediction of secondary metabolite gene clusters in filamentous fungi.

PubMed

Andersen, Mikael R; Nielsen, Jakob B; Klitgaard, Andreas; Petersen, Lene M; Zachariasen, Mia; Hansen, Tilde J; Blicher, Lene H; Gotfredsen, Charlotte H; Larsen, Thomas O; Nielsen, Kristian F; Mortensen, Uffe H

2013-01-02

Biosynthetic pathways of secondary metabolites from fungi are currently subject to an intense effort to elucidate the genetic basis for these compounds due to their large potential within pharmaceutics and synthetic biochemistry. The preferred method is methodical gene deletions to identify supporting enzymes for key synthases one cluster at a time. In this study, we design and apply a DNA expression array for Aspergillus nidulans in combination with legacy data to form a comprehensive gene expression compendium. We apply a guilt-by-association-based analysis to predict the extent of the biosynthetic clusters for the 58 synthases active in our set of experimental conditions. A comparison with legacy data shows the method to be accurate in 13 of 16 known clusters and nearly accurate for the remaining 3 clusters. Furthermore, we apply a data clustering approach, which identifies cross-chemistry between physically separate gene clusters (superclusters), and validate this both with legacy data and experimentally by prediction and verification of a supercluster consisting of the synthase AN1242 and the prenyltransferase AN11080, as well as identification of the product compound nidulanin A. We have used A. nidulans for our method development and validation due to the wealth of available biochemical data, but the method can be applied to any fungus with a sequenced and assembled genome, thus supporting further secondary metabolite pathway elucidation in the fungal kingdom.

Direct Measurements of Quantum Kinetic Energy Tensor in Stable and Metastable Water near the Triple Point: An Experimental Benchmark.

PubMed

Andreani, Carla; Romanelli, Giovanni; Senesi, Roberto

2016-06-16

This study presents the first direct and quantitative measurement of the nuclear momentum distribution anisotropy and the quantum kinetic energy tensor in stable and metastable (supercooled) water near its triple point, using deep inelastic neutron scattering (DINS). From the experimental spectra, accurate line shapes of the hydrogen momentum distributions are derived using an anisotropic Gaussian and a model-independent framework. The experimental results, benchmarked with those obtained for the solid phase, provide the state of the art directional values of the hydrogen mean kinetic energy in metastable water. The determinations of the direction kinetic energies in the supercooled phase, provide accurate and quantitative measurements of these dynamical observables in metastable and stable phases, that is, key insight in the physical mechanisms of the hydrogen quantum state in both disordered and polycrystalline systems. The remarkable findings of this study establish novel insight into further expand the capacity and accuracy of DINS investigations of the nuclear quantum effects in water and represent reference experimental values for theoretical investigations.

Accurately measuring volcanic plume velocity with multiple UV spectrometers

USGS Publications Warehouse

Williams-Jones, Glyn; Horton, Keith A.; Elias, Tamar; Garbeil, Harold; Mouginis-Mark, Peter J; Sutton, A. Jeff; Harris, Andrew J. L.

2006-01-01

A fundamental problem with all ground-based remotely sensed measurements of volcanic gas flux is the difficulty in accurately measuring the velocity of the gas plume. Since a representative wind speed and direction are used as proxies for the actual plume velocity, there can be considerable uncertainty in reported gas flux values. Here we present a method that uses at least two time-synchronized simultaneously recording UV spectrometers (FLYSPECs) placed a known distance apart. By analyzing the time varying structure of SO2 concentration signals at each instrument, the plume velocity can accurately be determined. Experiments were conducted on Kīlauea (USA) and Masaya (Nicaragua) volcanoes in March and August 2003 at plume velocities between 1 and 10 m s−1. Concurrent ground-based anemometer measurements differed from FLYSPEC-measured plume speeds by up to 320%. This multi-spectrometer method allows for the accurate remote measurement of plume velocity and can therefore greatly improve the precision of volcanic or industrial gas flux measurements.

Determination of minor and trace elements in kidney stones by x-ray fluorescence analysis

NASA Astrophysics Data System (ADS)

Srivastava, Anjali; Heisinger, Brianne J.; Sinha, Vaibhav; Lee, Hyong-Koo; Liu, Xin; Qu, Mingliang; Duan, Xinhui; Leng, Shuai; McCollough, Cynthia H.

2014-03-01

The determination of accurate material composition of a kidney stone is crucial for understanding the formation of the kidney stone as well as for preventive therapeutic strategies. Radiations probing instrumental activation analysis techniques are excellent tools for identification of involved materials present in the kidney stone. In particular, x-ray fluorescence (XRF) can be very useful for the determination of minor and trace materials in the kidney stone. The X-ray fluorescence measurements were performed at the Radiation Measurements and Spectroscopy Laboratory (RMSL) of department of nuclear engineering of Missouri University of Science and Technology and different kidney stones were acquired from the Mayo Clinic, Rochester, Minnesota. Presently, experimental studies in conjunction with analytical techniques were used to determine the exact composition of the kidney stone. A new type of experimental set-up was developed and utilized for XRF analysis of the kidney stone. The correlation of applied radiation source intensity, emission of X-ray spectrum from involving elements and absorption coefficient characteristics were analyzed. To verify the experimental results with analytical calculation, several sets of kidney stones were analyzed using XRF technique. The elements which were identified from this techniques are Silver (Ag), Arsenic (As), Bromine (Br), Chromium (Cr), Copper (Cu), Gallium (Ga), Germanium (Ge), Molybdenum (Mo), Niobium (Nb), Rubidium (Rb), Selenium (Se), Strontium (Sr), Yttrium (Y), Zirconium (Zr). This paper presents a new approach for exact detection of accurate material composition of kidney stone materials using XRF instrumental activation analysis technique.

Toward Accurate and Quantitative Comparative Metagenomics

PubMed Central

Nayfach, Stephen; Pollard, Katherine S.

2016-01-01

Shotgun metagenomics and computational analysis are used to compare the taxonomic and functional profiles of microbial communities. Leveraging this approach to understand roles of microbes in human biology and other environments requires quantitative data summaries whose values are comparable across samples and studies. Comparability is currently hampered by the use of abundance statistics that do not estimate a meaningful parameter of the microbial community and biases introduced by experimental protocols and data-cleaning approaches. Addressing these challenges, along with improving study design, data access, metadata standardization, and analysis tools, will enable accurate comparative metagenomics. We envision a future in which microbiome studies are replicable and new metagenomes are easily and rapidly integrated with existing data. Only then can the potential of metagenomics for predictive ecological modeling, well-powered association studies, and effective microbiome medicine be fully realized. PMID:27565341

Experimental and analytical determination of characteristics affecting light aircraft landing-gear dynamics

NASA Technical Reports Server (NTRS)

Fasanella, E. L.; Mcgehee, J. R.; Pappas, M. S.

1977-01-01

An experimental and analytical investigation was conducted to determine which characteristics of a light aircraft landing gear influence gear dynamic behavior significantly. The investigation focused particularly on possible modification for load control. Pseudostatic tests were conducted to determine the gear fore-and-aft spring constant, axial friction as a function of drag load, brake pressure-torque characteristics, and tire force-deflection characteristics. To study dynamic tire response, vertical drops were conducted at impact velocities of 1.2, 1.5, and 1.8 m/s onto a level surface; to determine axial-friction effects, a second series of vertical drops were made at 1.5 m/s onto surfaces inclined 5 deg and 10 deg to the horizontal. An average dynamic axial-friction coefficient of 0.15 was obtained by comparing analytical data with inclined surface drop test data. Dynamic strut bending and associated axial friction were found to be severe for the drop tests on the 10 deg surface.

Theoretical and experimental evidence of non-symmetric doubly localized rogue waves

PubMed Central

He, Jingsong; Guo, Lijuan; Zhang, Yongshuai; Chabchoub, Amin

2014-01-01

We present determinant expressions for vector rogue wave (RW) solutions of the Manakov system, a two-component coupled nonlinear Schrödinger (NLS) equation. As a special case, we generate a family of exact and non-symmetric RW solutions of the NLS equation up to third order, localized in both space and time. The derived non-symmetric doubly localized second-order solution is generated experimentally in a water wave flume for deep-water conditions. Experimental results, confirming the characteristic non-symmetric pattern of the solution, are in very good agreement with theory as well as with numerical simulations, based on the modified NLS equation, known to model accurately the dynamics of weakly nonlinear wave packets in deep water. PMID:25383023

An Experimental Device for Real Time Determination of Slant Path Atmospheric Contrast Transmittance.

DTIC Science & Technology

1982-03-01

copies ftom th Defense Technical Information Caster. AN others ioM apply to the National Technical Information Service. UNCLASSIFIED SECURITV...EXPERIMENTAL DEVICE FOR REAL TIME DETERMINATION OF SLANT PATH ATMOSPHERIC CONTRAST TRANSMITTANCE Richard W. Johnson 1. INTRODUCTION 2. BASIC CONCEPTS As...and z is an altitude parameter. primary optical channel uses a cosine corrected and PE- ASSIG SYSTM DEPIS1ttt STAGE I DSIN STAGEM Pgormiy TES

Theoretical and experimental determination of L -shell decay rates, line widths, and fluorescence yields in Ge

NASA Astrophysics Data System (ADS)

Guerra, M.; Sampaio, J. M.; Madeira, T. I.; Parente, F.; Indelicato, P.; Marques, J. P.; Santos, J. P.; Hoszowska, J.; Dousse, J.-Cl.; Loperetti, L.; Zeeshan, F.; Müller, M.; Unterumsberger, R.; Beckhoff, B.

2015-08-01

Fluorescence yields (FYs) for the Ge L shell were determined by a theoretical and two experimental groups within the framework of the International Initiative on X-Ray Fundamental Parameters Collaboration. Calculations were performed using the Dirac-Fock method, including relativistic and QED corrections. The experimental value of the L3FY ωL 3 was determined at the Physikalisch-Technische Bundesanstalt undulator beamline of the synchrotron radiation facility BESSY II in Berlin, Germany, and the L α1 ,2 and L β1 line widths were measured at the Swiss Light Source, Paul Scherrer Institute, Switzerland, using monochromatized synchrotron radiation and a von Hamos x-ray crystal spectrometer. The measured fluorescence yields and line widths are compared to the corresponding calculated values.

An accurate ab initio quartic force field for ammonia

NASA Technical Reports Server (NTRS)

Martin, J. M. L.; Lee, Timothy J.; Taylor, Peter R.

1992-01-01

The quartic force field of ammonia is computed using basis sets of spdf/spd and spdfg/spdf quality and an augmented coupled cluster method. After correcting for Fermi resonance, the computed fundamentals and nu 4 overtones agree on average to better than 3/cm with the experimental ones except for nu 2. The discrepancy for nu 2 is principally due to higher-order anharmonicity effects. The computed omega 1, omega 3, and omega 4 confirm the recent experimental determination by Lehmann and Coy (1988) but are associated with smaller error bars. The discrepancy between the computed and experimental omega 2 is far outside the expected error range, which is also attributed to higher-order anharmonicity effects not accounted for in the experimental determination. Spectroscopic constants are predicted for a number of symmetric and asymmetric top isotopomers of NH3.

Validation of an Accurate Three-Dimensional Helical Slow-Wave Circuit Model

NASA Technical Reports Server (NTRS)

Kory, Carol L.

1997-01-01

The helical slow-wave circuit embodies a helical coil of rectangular tape supported in a metal barrel by dielectric support rods. Although the helix slow-wave circuit remains the mainstay of the traveling-wave tube (TWT) industry because of its exceptionally wide bandwidth, a full helical circuit, without significant dimensional approximations, has not been successfully modeled until now. Numerous attempts have been made to analyze the helical slow-wave circuit so that the performance could be accurately predicted without actually building it, but because of its complex geometry, many geometrical approximations became necessary rendering the previous models inaccurate. In the course of this research it has been demonstrated that using the simulation code, MAFIA, the helical structure can be modeled with actual tape width and thickness, dielectric support rod geometry and materials. To demonstrate the accuracy of the MAFIA model, the cold-test parameters including dispersion, on-axis interaction impedance and attenuation have been calculated for several helical TWT slow-wave circuits with a variety of support rod geometries including rectangular and T-shaped rods, as well as various support rod materials including isotropic, anisotropic and partially metal coated dielectrics. Compared with experimentally measured results, the agreement is excellent. With the accuracy of the MAFIA helical model validated, the code was used to investigate several conventional geometric approximations in an attempt to obtain the most computationally efficient model. Several simplifications were made to a standard model including replacing the helical tape with filaments, and replacing rectangular support rods with shapes conforming to the cylindrical coordinate system with effective permittivity. The approximate models are compared with the standard model in terms of cold-test characteristics and computational time. The model was also used to determine the sensitivity of various

Three-dimensional endoanal ultrasound is accurate and reproducible in determining type and height of anal fistulas.

PubMed

Kołodziejczak, M; Santoro, G A; Obcowska, A; Lorenc, Z; Mańczak, M; Sudoł-Szopińska, I

2017-04-01

Surgical treatment of high anal fistulas is associated with the potential risk of faecal incontinence and recurrence. The primary aim of this study was to determine the accuracy of three-dimensional endoanal ultrasound (3D-EAUS) in the assessment of height and type of anal fistulas, compared to the intra-operative findings (gold standard). The secondary aim was to evaluate the inter-observer reproducibility of 3D-EAUS. The study design was a prospective analysis of retrospective data. 299 patients (202 men), mean age 45.3 years, who underwent surgery for anal fistulas, were included. All patients were preoperatively assessed by 3D-EAUS. Two readers independently reviewed the volumes to determine the type and height of fistulas. Sensitivity, specificity, positive and negative predictive values, proportion of agreements and Cohen's kappa coefficient (κ) were calculated for both examiners. Ultrasound findings were compared with intra-operative data (reference standard), evaluated blindly by the surgeons. At surgery, 201 (67%) were transsphincteric, 49 (16%) suprasphincteric, 47 (16%) intersphincteric and two (1%) extrasphincteric fistulas. Intra-operatively, 177 (59%) were low and 122 (41%) high fistulas. The overall accuracy of 3D-EAUS was 91% for fistula type (271/299 fistulas: 97% transsphincteric, 100% intersphincteric, 57% suprasphincteric, 0% extrasphincteric) and 92% for fistula height (275/299 fistulas: 80% high and 100% low). Both readers reported very good agreement with surgery in the assessment of fistula type (proportion of agreement 0.88, κ = 0.89) and height (proportion of agreement 0.90, κ = 0.91). 3D-EAUS is an accurate and reproducible modality for the assessment of type and height of anal fistulas. Colorectal Disease © 2016 The Association of Coloproctology of Great Britain and Ireland.

Numerical analysis and experimental studies on solenoid common rail diesel injector with worn control valve

NASA Astrophysics Data System (ADS)

Krivtsov, S. N.; Yakimov, I. V.; Ozornin, S. P.

2018-03-01

A mathematical model of a solenoid common rail fuel injector was developed. Its difference from existing models is control valve wear simulation. A common rail injector of 0445110376 Series (Cummins ISf 2.8 Diesel engine) produced by Bosch Company was used as a research object. Injector parameters (fuel delivery and back leakage) were determined by calculation and experimental methods. GT-Suite model average R2 is 0.93 which means that it predicts the injection rate shape very accurately (nominal and marginal technical conditions of an injector). Numerical analysis and experimental studies showed that control valve wear increases back leakage and fuel delivery (especially at 160 MPa). The regression models for determining fuel delivery and back leakage effects on fuel pressure and energizing time were developed (for nominal and marginal technical conditions).

Accurate and self-consistent procedure for determining pH in seawater desalination brines and its manifestation in reverse osmosis modeling.

PubMed

Nir, Oded; Marvin, Esra; Lahav, Ori

2014-11-01

Measuring and modeling pH in concentrated aqueous solutions in an accurate and consistent manner is of paramount importance to many R&D and industrial applications, including RO desalination. Nevertheless, unified definitions and standard procedures have yet to be developed for solutions with ionic strength higher than ∼0.7 M, while implementation of conventional pH determination approaches may lead to significant errors. In this work a systematic yet simple methodology for measuring pH in concentrated solutions (dominated by Na(+)/Cl(-)) was developed and evaluated, with the aim of achieving consistency with the Pitzer ion-interaction approach. Results indicate that the addition of 0.75 M of NaCl to NIST buffers, followed by assigning a new standard pH (calculated based on the Pitzer approach), enabled reducing measured errors to below 0.03 pH units in seawater RO brines (ionic strength up to 2 M). To facilitate its use, the method was developed to be both conceptually and practically analogous to the conventional pH measurement procedure. The method was used to measure the pH of seawater RO retentates obtained at varying recovery ratios. The results matched better the pH values predicted by an accurate RO transport model. Calibrating the model by the measured pH values enabled better boron transport prediction. A Donnan-induced phenomenon, affecting pH in both retentate and permeate streams, was identified and quantified. Copyright © 2014 Elsevier Ltd. All rights reserved.

An experimental study of the mechanism of failure of rocks under borehole jack loading

NASA Technical Reports Server (NTRS)

Van, T. K.; Goodman, R. E.

1971-01-01

Laboratory and field tests with an experimental jack and an NX-borehole jack are reported. The following conclusions were made: Under borehole jack loading, a circular opening in a brittle solid fails by tensile fracturing when the bearing plate width is not too small. Two proposed contact stress distributions can explain the mechanism of tensile fracturing. The contact stress distribution factor is a material property which can be determined experimentally. The borehole tensile strength is larger than the rupture flexural strength. Knowing the magnitude and orientation of the in situ stress field, borehole jack test results can be used to determine the borehole tensile strength. Knowing the orientation of the in situ stress field and the flexural strength of the rock substance, the magnitude of the in situ stress components can be calculated. The detection of very small cracks is essential for the accurate determination of the failure loads which are used in the calculation of strengths and stress components.

Convergence in parameters and predictions using computational experimental design.

PubMed

Hagen, David R; White, Jacob K; Tidor, Bruce

2013-08-06

Typically, biological models fitted to experimental data suffer from significant parameter uncertainty, which can lead to inaccurate or uncertain predictions. One school of thought holds that accurate estimation of the true parameters of a biological system is inherently problematic. Recent work, however, suggests that optimal experimental design techniques can select sets of experiments whose members probe complementary aspects of a biochemical network that together can account for its full behaviour. Here, we implemented an experimental design approach for selecting sets of experiments that constrain parameter uncertainty. We demonstrated with a model of the epidermal growth factor-nerve growth factor pathway that, after synthetically performing a handful of optimal experiments, the uncertainty in all 48 parameters converged below 10 per cent. Furthermore, the fitted parameters converged to their true values with a small error consistent with the residual uncertainty. When untested experimental conditions were simulated with the fitted models, the predicted species concentrations converged to their true values with errors that were consistent with the residual uncertainty. This paper suggests that accurate parameter estimation is achievable with complementary experiments specifically designed for the task, and that the resulting parametrized models are capable of accurate predictions.

Determination of calibration constants for the hole-drilling residual stress measurement technique applied to orthotropic composites. II - Experimental evaluations

NASA Technical Reports Server (NTRS)

Prasad, C. B.; Prabhakaran, R.; Tompkins, S.

1987-01-01

The first step in the extension of the semidestructive hole-drilling technique for residual stress measurement to orthotropic composite materials is the determination of the three calibration constants. Attention is presently given to an experimental determination of these calibration constants for a highly orthotropic, unidirectionally-reinforced graphite fiber-reinforced polyimide composite. A comparison of the measured values with theoretically obtained ones shows agreement to be good, in view of the many possible sources of experimental variation.

Fast and Accurate Circuit Design Automation through Hierarchical Model Switching.

PubMed

Huynh, Linh; Tagkopoulos, Ilias

2015-08-21

In computer-aided biological design, the trifecta of characterized part libraries, accurate models and optimal design parameters is crucial for producing reliable designs. As the number of parts and model complexity increase, however, it becomes exponentially more difficult for any optimization method to search the solution space, hence creating a trade-off that hampers efficient design. To address this issue, we present a hierarchical computer-aided design architecture that uses a two-step approach for biological design. First, a simple model of low computational complexity is used to predict circuit behavior and assess candidate circuit branches through branch-and-bound methods. Then, a complex, nonlinear circuit model is used for a fine-grained search of the reduced solution space, thus achieving more accurate results. Evaluation with a benchmark of 11 circuits and a library of 102 experimental designs with known characterization parameters demonstrates a speed-up of 3 orders of magnitude when compared to other design methods that provide optimality guarantees.

Accurate color synthesis of three-dimensional objects in an image

NASA Astrophysics Data System (ADS)

Xin, John H.; Shen, Hui-Liang

2004-05-01

Our study deals with color synthesis of a three-dimensional object in an image; i.e., given a single image, a target color can be accurately mapped onto the object such that the color appearance of the synthesized object closely resembles that of the actual one. As it is almost impossible to acquire the complete geometric description of the surfaces of an object in an image, this study attempted to recover the implicit description of geometry for the color synthesis. The description was obtained from either a series of spectral reflectances or the RGB signals at different surface positions on the basis of the dichromatic reflection model. The experimental results showed that this implicit image-based representation is related to the object geometry and is sufficient for accurate color synthesis of three-dimensional objects in an image. The method established is applicable to the color synthesis of both rigid and deformable objects and should contribute to color fidelity in virtual design, manufacturing, and retailing.

Simulation and experimental verification of prompt gamma-ray emissions during proton irradiation.

PubMed

Schumann, A; Petzoldt, J; Dendooven, P; Enghardt, W; Golnik, C; Hueso-González, F; Kormoll, T; Pausch, G; Roemer, K; Fiedler, F

2015-05-21

Irradiation with protons and light ions offers new possibilities for tumor therapy but has a strong need for novel imaging modalities for treatment verification. The development of new detector systems, which can provide an in vivo range assessment or dosimetry, requires an accurate knowledge of the secondary radiation field and reliable Monte Carlo simulations. This paper presents multiple measurements to characterize the prompt γ-ray emissions during proton irradiation and benchmarks the latest Geant4 code against the experimental findings. Within the scope of this work, the total photon yield for different target materials, the energy spectra as well as the γ-ray depth profile were assessed. Experiments were performed at the superconducting AGOR cyclotron at KVI-CART, University of Groningen. Properties of the γ-ray emissions were experimentally determined. The prompt γ-ray emissions were measured utilizing a conventional HPGe detector system (Clover) and quantitatively compared to simulations. With the selected physics list QGSP_BIC_HP, Geant4 strongly overestimates the photon yield in most cases, sometimes up to 50%. The shape of the spectrum and qualitative occurrence of discrete γ lines is reproduced accurately. A sliced phantom was designed to determine the depth profile of the photons. The position of the distal fall-off in the simulations agrees with the measurements, albeit the peak height is also overestimated. Hence, Geant4 simulations of prompt γ-ray emissions from irradiation with protons are currently far less reliable as compared to simulations of the electromagnetic processes. Deviations from experimental findings were observed and quantified. Although there has been a constant improvement of Geant4 in the hadronic sector, there is still a gap to close.

First direct determination of the 48Ca double-β decay Q value

NASA Astrophysics Data System (ADS)

Bustabad, S.; Bollen, G.; Brodeur, M.; Lincoln, D. L.; Novario, S. J.; Redshaw, M.; Ringle, R.; Schwarz, S.; Valverde, A. A.

2013-08-01

The low-energy beam and ion trap Penning trap mass spectrometer was used for an improved determination of the 48Ca double-β decay Q value: Qββ=4268.121(79)keV. The new value is 1.2 keV greater than the value in the 2012 atomic mass evaluation [Chin. Phys. CCPCHCQ1674-113710.1088/1674-1137/36/12/003 36, 1603 (2012)], a shift of three σ, and is a factor of 5 more precise. Accurate knowledge of this Q value is important for experimental searches to observe neutrinoless double-β decay (0νββ) in 48Ca and is essential for extracting the effective mass of the electron neutrino if the 48Ca half-life of 0νββ was experimentally determined.

Experimental determination of dynamic characteristics of the VentrAssist implantable rotary blood pump.

PubMed

Chung, Michael K H; Zhang, Nong; Tansley, Geoff D; Qian, Yi

2004-12-01

The VentrAssist implantable rotary blood pump, intended for long-term ventricular assist, is under development and is currently being tested for its rotor-dynamic stability. The pump consists of a shaftless impeller, which also acts as the rotor of the brushless DC motor. The impeller remains passively suspended in the pump cavity by hydrodynamic forces, which result from the small clearances between the outside surfaces of the impeller and the pump cavity. These small clearances range from approximately 50 microm to 230 microm in size in the version of pump reported here. This article presents experimental investigation into the dynamic characteristics of the impeller-bearing-pump housing system of the rotary blood pump for increasing pump speeds at different flow rates. The pump was mounted on a suspension system consisting of a platform and springs, where the natural frequency and damping ratio for the suspension system were determined. Real-time measurements of the impeller's displacement were performed using Hall effect sensors. A vertical disturbance force was exerted onto the pump housing, causing the impeller to be displaced in vertical direction from its dynamic equilibrium position within the pump cavity. The impeller displacement was represented by a decaying sine wave, which indicated the impeller restoring to its equilibrium position. From the decaying sine wave the natural frequency and stiffness coefficient of the system were determined. Furthermore, the logarithmic decrement method was used to determine the damping ratio and eventually the damping coefficient of the system. Results indicate that stiffness and damping coefficients increased as flow rate and pump speed increased, representing an increase in stability with these changing conditions. However, pump speed had a greater influence on the stiffness and damping coefficients than flow rate did, which was evident through dynamic analysis. Overall the experimental method presented in this

Methods for the accurate estimation of confidence intervals on protein folding ϕ-values

PubMed Central

Ruczinski, Ingo; Sosnick, Tobin R.; Plaxco, Kevin W.

2006-01-01

ϕ-Values provide an important benchmark for the comparison of experimental protein folding studies to computer simulations and theories of the folding process. Despite the growing importance of ϕ measurements, however, formulas to quantify the precision with which ϕ is measured have seen little significant discussion. Moreover, a commonly employed method for the determination of standard errors on ϕ estimates assumes that estimates of the changes in free energy of the transition and folded states are independent. Here we demonstrate that this assumption is usually incorrect and that this typically leads to the underestimation of ϕ precision. We derive an analytical expression for the precision of ϕ estimates (assuming linear chevron behavior) that explicitly takes this dependence into account. We also describe an alternative method that implicitly corrects for the effect. By simulating experimental chevron data, we show that both methods accurately estimate ϕ confidence intervals. We also explore the effects of the commonly employed techniques of calculating ϕ from kinetics estimated at non-zero denaturant concentrations and via the assumption of parallel chevron arms. We find that these approaches can produce significantly different estimates for ϕ (again, even for truly linear chevron behavior), indicating that they are not equivalent, interchangeable measures of transition state structure. Lastly, we describe a Web-based implementation of the above algorithms for general use by the protein folding community. PMID:17008714

Toward Accurate and Quantitative Comparative Metagenomics.

PubMed

Nayfach, Stephen; Pollard, Katherine S

2016-08-25

Shotgun metagenomics and computational analysis are used to compare the taxonomic and functional profiles of microbial communities. Leveraging this approach to understand roles of microbes in human biology and other environments requires quantitative data summaries whose values are comparable across samples and studies. Comparability is currently hampered by the use of abundance statistics that do not estimate a meaningful parameter of the microbial community and biases introduced by experimental protocols and data-cleaning approaches. Addressing these challenges, along with improving study design, data access, metadata standardization, and analysis tools, will enable accurate comparative metagenomics. We envision a future in which microbiome studies are replicable and new metagenomes are easily and rapidly integrated with existing data. Only then can the potential of metagenomics for predictive ecological modeling, well-powered association studies, and effective microbiome medicine be fully realized. Copyright © 2016 Elsevier Inc. All rights reserved.

Experimental Determination of the Dynamic Hydraulic Transfer Function for the J-2X Oxidizer Turbopump. Part One; Methodology

NASA Technical Reports Server (NTRS)

Zoladz, Tom; Patel, Sandeep; Lee, Erik; Karon, Dave

2011-01-01

An advanced methodology for extracting the hydraulic dynamic pump transfer matrix (Yp) for a cavitating liquid rocket engine turbopump inducer+impeller has been developed. The transfer function is required for integrated vehicle pogo stability analysis as well as optimization of local inducer pumping stability. Laboratory pulsed subscale waterflow test of the J-2X oxygen turbo pump is introduced and our new extraction method applied to the data collected. From accurate measures of pump inlet and discharge perturbational mass flows and pressures, and one-dimensional flow models that represents complete waterflow loop physics, we are able to derive Yp and hence extract the characteristic pump parameters: compliance, pump gain, impedance, mass flow gain. Detailed modeling is necessary to accurately translate instrument plane measurements to the pump inlet and discharge and extract Yp. We present the MSFC Dynamic Lump Parameter Fluid Model Framework and describe critical dynamic component details. We report on fit minimization techniques, cost (fitness) function derivation, and resulting model fits to our experimental data are presented. Comparisons are made to alternate techniques for spatially translating measurement stations to actual pump inlet and discharge.

An optimized method for the accurate determination of patulin in apple products by isotope dilution-liquid chromatography/mass spectrometry.

PubMed

Seo, Miyeong; Kim, Byungjoo; Baek, Song-Yee

2015-07-01

Patulin, a mycotoxin produced by several molds in fruits, has been frequently detected in apple products. Therefore, regulatory bodies have established recommended maximum permitted patulin concentrations for each type of apple product. Although several analytical methods have been adopted to determine patulin in food, quality control of patulin analysis is not easy, as reliable certified reference materials (CRMs) are not available. In this study, as a part of a project for developing CRMs for patulin analysis, we developed isotope dilution liquid chromatography-tandem mass spectrometry (ID-LC/MS/MS) as a higher-order reference method for the accurate value-assignment of CRMs. (13)C7-patulin was used as internal standard. Samples were extracted with ethyl acetate to improve recovery. For further sample cleanup with solid-phase extraction (SPE), the HLB SPE cartridge was chosen after comparing with several other types of SPE cartridges. High-performance liquid chromatography was performed on a multimode column for proper retention and separation of highly polar and water-soluble patulin from sample interferences. Sample extracts were analyzed by LC/MS/MS with electrospray ionization in negative ion mode with selected reaction monitoring of patulin and (13)C7-patulin at m/z 153→m/z 109 and m/z 160→m/z 115, respectively. The validity of the method was tested by measuring gravimetrically fortified samples of various apple products. In addition, the repeatability and the reproducibility of the method were tested to evaluate the performance of the method. The method was shown to provide accurate measurements in the 3-40 μg/kg range with a relative expanded uncertainty of around 1%.

Photochemical parameters of atmospheric source gases: accurate determination of OH reaction rate constants over atmospheric temperatures, UV and IR absorption spectra

NASA Astrophysics Data System (ADS)

Orkin, V. L.; Khamaganov, V. G.; Martynova, L. E.; Kurylo, M. J.

2012-12-01

The emissions of halogenated (Cl, Br containing) organics of both natural and anthropogenic origin contribute to the balance of and changes in the stratospheric ozone concentration. The associated chemical cycles are initiated by the photochemical decomposition of the portion of source gases that reaches the stratosphere. Reactions with hydroxyl radicals and photolysis are the main processes dictating the compound lifetime in the troposphere and release of active halogen in the stratosphere for a majority of halogen source gases. Therefore, the accuracy of photochemical data is of primary importance for the purpose of comprehensive atmospheric modeling and for simplified kinetic estimations of global impacts on the atmosphere, such as in ozone depletion (i.e., the Ozone Depletion Potential, ODP) and climate change (i.e., the Global Warming Potential, GWP). The sources of critically evaluated photochemical data for atmospheric modeling, NASA/JPL Publications and IUPAC Publications, recommend uncertainties within 10%-60% for the majority of OH reaction rate constants with only a few cases where uncertainties lie at the low end of this range. These uncertainties can be somewhat conservative because evaluations are based on the data from various laboratories obtained during the last few decades. Nevertheless, even the authors of the original experimental works rarely estimate the total combined uncertainties of the published OH reaction rate constants to be less than ca. 10%. Thus, uncertainties in the photochemical properties of potential and current atmospheric trace gases obtained under controlled laboratory conditions still may constitute a major source of uncertainty in estimating the compound's environmental impact. One of the purposes of the presentation is to illustrate the potential for obtaining accurate laboratory measurements of the OH reaction rate constant over the temperature range of atmospheric interest. A detailed inventory of accountable sources of

Data Mining for Efficient and Accurate Large Scale Retrieval of Geophysical Parameters

NASA Astrophysics Data System (ADS)

Obradovic, Z.; Vucetic, S.; Peng, K.; Han, B.

2004-12-01

Our effort is devoted to developing data mining technology for improving efficiency and accuracy of the geophysical parameter retrievals by learning a mapping from observation attributes to the corresponding parameters within the framework of classification and regression. We will describe a method for efficient learning of neural network-based classification and regression models from high-volume data streams. The proposed procedure automatically learns a series of neural networks of different complexities on smaller data stream chunks and then properly combines them into an ensemble predictor through averaging. Based on the idea of progressive sampling the proposed approach starts with a very simple network trained on a very small chunk and then gradually increases the model complexity and the chunk size until the learning performance no longer improves. Our empirical study on aerosol retrievals from data obtained with the MISR instrument mounted at Terra satellite suggests that the proposed method is successful in learning complex concepts from large data streams with near-optimal computational effort. We will also report on a method that complements deterministic retrievals by constructing accurate predictive algorithms and applying them on appropriately selected subsets of observed data. The method is based on developing more accurate predictors aimed to catch global and local properties synthesized in a region. The procedure starts by learning the global properties of data sampled over the entire space, and continues by constructing specialized models on selected localized regions. The global and local models are integrated through an automated procedure that determines the optimal trade-off between the two components with the objective of minimizing the overall mean square errors over a specific region. Our experimental results on MISR data showed that the combined model can increase the retrieval accuracy significantly. The preliminary results on various

Extracting Time-Accurate Acceleration Vectors From Nontrivial Accelerometer Arrangements.

PubMed

Franck, Jennifer A; Blume, Janet; Crisco, Joseph J; Franck, Christian

2015-09-01

Sports-related concussions are of significant concern in many impact sports, and their detection relies on accurate measurements of the head kinematics during impact. Among the most prevalent recording technologies are videography, and more recently, the use of single-axis accelerometers mounted in a helmet, such as the HIT system. Successful extraction of the linear and angular impact accelerations depends on an accurate analysis methodology governed by the equations of motion. Current algorithms are able to estimate the magnitude of acceleration and hit location, but make assumptions about the hit orientation and are often limited in the position and/or orientation of the accelerometers. The newly formulated algorithm presented in this manuscript accurately extracts the full linear and rotational acceleration vectors from a broad arrangement of six single-axis accelerometers directly from the governing set of kinematic equations. The new formulation linearizes the nonlinear centripetal acceleration term with a finite-difference approximation and provides a fast and accurate solution for all six components of acceleration over long time periods (>250 ms). The approximation of the nonlinear centripetal acceleration term provides an accurate computation of the rotational velocity as a function of time and allows for reconstruction of a multiple-impact signal. Furthermore, the algorithm determines the impact location and orientation and can distinguish between glancing, high rotational velocity impacts, or direct impacts through the center of mass. Results are shown for ten simulated impact locations on a headform geometry computed with three different accelerometer configurations in varying degrees of signal noise. Since the algorithm does not require simplifications of the actual impacted geometry, the impact vector, or a specific arrangement of accelerometer orientations, it can be easily applied to many impact investigations in which accurate kinematics need

On scalable lossless video coding based on sub-pixel accurate MCTF

NASA Astrophysics Data System (ADS)

Yea, Sehoon; Pearlman, William A.

2006-01-01

We propose two approaches to scalable lossless coding of motion video. They achieve SNR-scalable bitstream up to lossless reconstruction based upon the subpixel-accurate MCTF-based wavelet video coding. The first approach is based upon a two-stage encoding strategy where a lossy reconstruction layer is augmented by a following residual layer in order to obtain (nearly) lossless reconstruction. The key advantages of our approach include an 'on-the-fly' determination of bit budget distribution between the lossy and the residual layers, freedom to use almost any progressive lossy video coding scheme as the first layer and an added feature of near-lossless compression. The second approach capitalizes on the fact that we can maintain the invertibility of MCTF with an arbitrary sub-pixel accuracy even in the presence of an extra truncation step for lossless reconstruction thanks to the lifting implementation. Experimental results show that the proposed schemes achieve compression ratios not obtainable by intra-frame coders such as Motion JPEG-2000 thanks to their inter-frame coding nature. Also they are shown to outperform the state-of-the-art non-scalable inter-frame coder H.264 (JM) lossless mode, with the added benefit of bitstream embeddedness.

An Accurately Controlled Antagonistic Shape Memory Alloy Actuator with Self-Sensing

PubMed Central

Wang, Tian-Miao; Shi, Zhen-Yun; Liu, Da; Ma, Chen; Zhang, Zhen-Hua

2012-01-01

With the progress of miniaturization, shape memory alloy (SMA) actuators exhibit high energy density, self-sensing ability and ease of fabrication, which make them well suited for practical applications. This paper presents a self-sensing controlled actuator drive that was designed using antagonistic pairs of SMA wires. Under a certain pre-strain and duty cycle, the stress between two wires becomes constant. Meanwhile, the strain to resistance curve can minimize the hysteresis gap between the heating and the cooling paths. The curves of both wires are then modeled by fitting polynomials such that the measured resistance can be used directly to determine the difference between the testing values and the target strain. The hysteresis model of strains to duty cycle difference has been used as compensation. Accurate control is demonstrated through step response and sinusoidal tracking. The experimental results show that, under a combination control program, the root-mean-square error can be reduced to 1.093%. The limited bandwidth of the frequency is estimated to be 0.15 Hz. Two sets of instruments with three degrees of freedom are illustrated to show how this type actuator could be potentially implemented. PMID:22969368

Predicting gaseous reaction rates of short chain chlorinated paraffins with ·OH: overcoming the difficulty in experimental determination.

PubMed

Li, Chao; Xie, Hong-Bin; Chen, Jingwen; Yang, Xianhai; Zhang, Yifei; Qiao, Xianliang

2014-12-02

Short chain chlorinated paraffins (SCCPs) are under evaluation for inclusion in the Stockholm Convention on persistent organic pollutants. However, information on their reaction rate constants with gaseous ·OH (kOH) is unavailable, limiting the evaluation of their persistence in the atmosphere. Experimental determination of kOH is confined by the unavailability of authentic chemical standards for some SCCP congeners. In this study, we evaluated and selected density functional theory (DFT) methods to predict kOH of SCCPs, by comparing the experimental kOH values of six polychlorinated alkanes (PCAs) with those calculated by the different theoretical methods. We found that the M06-2X/6-311+G(3df,2pd)//B3LYP/6-311 +G(d,p) method is time-effective and can be used to predict kOH of PCAs. Moreover, based on the calculated kOH of nine SCCPs and available experimental kOH values of 22 PCAs with low carbon chain, a quantitative structure-activity relationship (QSAR) model was developed. The molecular structural characteristics determining the ·OH reaction rate were discussed. logkOH was found to negatively correlate with the percentage of chlorine substitutions (Cl%). The DFT calculation method and the QSAR model are important alternatives to the conventional experimental determination of kOH for SCCPs, and are prospective in predicting their persistence in the atmosphere.

Experimental confirmation of a PDE-based approach to design of feedback controls

NASA Technical Reports Server (NTRS)

Banks, H. T.; Smith, Ralph C.; Brown, D. E.; Silcox, R. J.; Metcalf, Vern L.

1995-01-01

Issues regarding the experimental implementation of partial differential equation based controllers are discussed in this work. While the motivating application involves the reduction of vibration levels for a circular plate through excitation of surface-mounted piezoceramic patches, the general techniques described here will extend to a variety of applications. The initial step is the development of a PDE model which accurately captures the physics of the underlying process. This model is then discretized to yield a vector-valued initial value problem. Optimal control theory is used to determine continuous-time voltages to the patches, and the approximations needed to facilitate discrete time implementation are addressed. Finally, experimental results demonstrating the control of both transient and steady state vibrations through these techniques are presented.

Chaos and simple determinism in reversed field pinch plasmas: Nonlinear analysis of numerical simulation and experimental data

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

Watts, Christopher A.

In this dissertation the possibility that chaos and simple determinism are governing the dynamics of reversed field pinch (RFP) plasmas is investigated. To properly assess this possibility, data from both numerical simulations and experiment are analyzed. A large repertoire of nonlinear analysis techniques is used to identify low dimensional chaos in the data. These tools include phase portraits and Poincare sections, correlation dimension, the spectrum of Lyapunov exponents and short term predictability. In addition, nonlinear noise reduction techniques are applied to the experimental data in an attempt to extract any underlying deterministic dynamics. Two model systems are used to simulatemore » the plasma dynamics. These are the DEBS code, which models global RFP dynamics, and the dissipative trapped electron mode (DTEM) model, which models drift wave turbulence. Data from both simulations show strong indications of low dimensional chaos and simple determinism. Experimental date were obtained from the Madison Symmetric Torus RFP and consist of a wide array of both global and local diagnostic signals. None of the signals shows any indication of low dimensional chaos or low simple determinism. Moreover, most of the analysis tools indicate the experimental system is very high dimensional with properties similar to noise. Nonlinear noise reduction is unsuccessful at extracting an underlying deterministic system.« less

A feasible, economical, and accurate analytical method for simultaneous determination of six alkaloid markers in Aconiti Lateralis Radix Praeparata from different manufacturing sources and processing ways.

PubMed

Zhang, Yi-Bei; DA, Juan; Zhang, Jing-Xian; Li, Shang-Rong; Chen, Xin; Long, Hua-Li; Wang, Qiu-Rong; Cai, Lu-Ying; Yao, Shuai; Hou, Jin-Jun; Wu, Wan-Ying; Guo, De-An

2017-04-01

Aconiti Lateralis Radix Praeparata (Fuzi) is a commonly used traditional Chinese medicine in clinic for its potency in restoring yang and rescuing from collapse. Aconiti alkaloids, mainly including monoester-diterpenoidaconitines (MDAs) and diester-diterpenoidaconitines (DDAs), are considered to act as both bioactive and toxic constituents. In the present study, a feasible, economical, and accurate HPLC method for simultaneous determination of six alkaloid markers using the Single Standard for Determination of Multi-Components (SSDMC) method was developed and fully validated. Benzoylmesaconine was used as the unique reference standard. This method was proven as accurate (recovery varying between 97.5%-101.8%, RSD < 3%), precise (RSD 0.63%-2.05%), and linear (R > 0.999 9) over the concentration ranges, and subsequently applied to quantitative evaluation of 62 batches of samples, among which 45 batches were from good manufacturing practice (GMP) facilities and 17 batches from the drug market. The contents were then analyzed by principal component analysis (PCA) and homogeneity test. The present study provided valuable information for improving the quality standard of Aconiti Lateralis Radix Praeparata. The developed method also has the potential in analysis of other Aconitum species, such as Aconitum carmichaelii (prepared parent root) and Aconitum kusnezoffii (prepared root). Copyright © 2017 China Pharmaceutical University. Published by Elsevier B.V. All rights reserved.

Experimental determination of ablation vapor species from carbon phenolic heat-shield materials

NASA Technical Reports Server (NTRS)

Lincoln, K. A.

1981-01-01

The relative concentrations of vapors produced from carbon phenolic composites under thermal loadings approximating those expected at peak heating during vehicle entry into the atmospheres of the outer planets have been determined. The technique of vaporizing the surface of bulk samples by laser irradiation while measuring in situ the vapor species by mass spectrometry is described. Results show that vapor composition varies with irradiance level and with depth of heating (or extent of pyrolysis). Attempts are made to compare these experimental results with the theoretical predictions from computer codes.

The extraction of accurate coordinates of images on photographic plates by means of a scanning type measuring machine

NASA Technical Reports Server (NTRS)

Ross, B. E.

1971-01-01

The Moire method experimental stress analysis is similar to a problem encountered in astrometry. It is necessary to extract accurate coordinates from images on photographic plates. The solution to the mutual problem found applicable to the field of experimental stress analysis is presented to outline the measurement problem. A discussion of the photo-reading device developed to make the measurements follows.

An experimental determination of the drag coefficient of a Mens 8+ racing shell.

PubMed

Buckmann, James G; Harris, Samuel D

2014-01-01

This study centered around an experimental analysis of a Mens Lightweight Eight racing shell and, specifically, determining an approximation for the drag coefficient. A testing procedure was employed that used a Global Positioning System (GPS) unit in order to determine the acceleration and drag force on the shell, and through calculations yield a drag coefficient. The testing was run over several days in numerous conditions, and a 95% confidence interval was established to capture the results. The results obtained, over these varying trials, maintained a successful level of consistency. The significance of this study transcends the determination an approximation for the drag coefficient of the racing shell; it defined a successful means of quantifying performance of the shell itself. The testing procedures outlined in the study represent a uniform means of evaluating the factors that influence drag on the shell, and thus influence speed.

Simplified intraoperative sentinel-node detection performed by the urologist accurately determines lymph-node stage in prostate cancer.

PubMed

Kjölhede, Henrik; Bratt, Ola; Gudjonsson, Sigurdur; Sundqvist, Pernilla; Liedberg, Fredrik

2015-04-01

The reference standard for lymph-node staging in prostate cancer is currently an extended pelvic lymph-node dissection (ePLND), which detects most, but not all, regional lymph-node metastases. As an alternative to ePLND, sentinel-node dissection with preoperative isotope injection and imaging has been reported. The objective was to determine whether intraoperative sentinel-node detection with a simplified protocol can accurately determine lymph-node stage in prostate cancer patients. Patients with biopsy-verified high-risk prostate cancer with tumour stage T2-3 were included in the study. All patients underwent both ePLND and sentinel-node detection. (99m)Tc-marked nanocolloid was injected peritumourally by the operating urologist after induction of anaesthesia just before surgery. Sentinel nodes were detected both in vivo and ex vivo intraoperatively using a gamma probe. Sentinel nodes and metastases and their locations were recorded. Sensitivity and specificity were calculated. At least one sentinel node was detected in 72 (87%) of the 83 patients. In 13 (18%) of these 72 patients sentinel nodes were detected outside the ePLND template. In six of these 13 patients, the Sentinel nodes from outside the template contained metastases, which proved to be the only metastases in two. For 12 patients the only metastatic deposit found was a micrometastasis (≤2 mm) in a sentinel node. In the 72 patients with detectable sentinel nodes, pathological analysis of the sentinel node correctly categorized 71 and ePLND 70 patients. This protocol yielded results comparable to the commonly used technique of sentinel-node detection, but with more cases of non-detection.

Accurate Modeling of Ionospheric Electromagnetic Fields Generated by a Low Altitude VLF Transmitter

DTIC Science & Technology

2009-03-31

AFRL-RV-HA-TR-2009-1055 Accurate Modeling of Ionospheric Electromagnetic Fields Generated by a Low Altitude VLF Transmitter ...m (or even 500 m) at mid to high latitudes . At low latitudes , the FDTD model exhibits variations that make it difficult to determine a reliable...Scientific, Final 3. DATES COVERED (From - To) 02-08-2006 – 31-12-2008 4. TITLE AND SUBTITLE Accurate Modeling of Ionospheric Electromagnetic Fields

Experimental and Theoretical Reduction Potentials of Some Biologically Active ortho-Carbonyl para-Quinones.

PubMed

Martínez-Cifuentes, Maximiliano; Salazar, Ricardo; Ramírez-Rodríguez, Oney; Weiss-López, Boris; Araya-Maturana, Ramiro

2017-04-04

The rational design of quinones with specific redox properties is an issue of great interest because of their applications in pharmaceutical and material sciences. In this work, the electrochemical behavior of a series of four p -quinones was studied experimentally and theoretically. The first and second one-electron reduction potentials of the quinones were determined using cyclic voltammetry and correlated with those calculated by density functional theory (DFT) using three different functionals, BHandHLYP, M06-2x and PBE0. The differences among the experimental reduction potentials were explained in terms of structural effects on the stabilities of the formed species. DFT calculations accurately reproduced the first one-electron experimental reduction potentials with R ² higher than 0.94. The BHandHLYP functional presented the best fit to the experimental values ( R ² = 0.957), followed by M06-2x ( R ² = 0.947) and PBE0 ( R ² = 0.942).

Determining residual reduction algorithm kinematic tracking weights for a sidestep cut via numerical optimization.

PubMed

Samaan, Michael A; Weinhandl, Joshua T; Bawab, Sebastian Y; Ringleb, Stacie I

2016-12-01

Musculoskeletal modeling allows for the determination of various parameters during dynamic maneuvers by using in vivo kinematic and ground reaction force (GRF) data as inputs. Differences between experimental and model marker data and inconsistencies in the GRFs applied to these musculoskeletal models may not produce accurate simulations. Therefore, residual forces and moments are applied to these models in order to reduce these differences. Numerical optimization techniques can be used to determine optimal tracking weights of each degree of freedom of a musculoskeletal model in order to reduce differences between the experimental and model marker data as well as residual forces and moments. In this study, the particle swarm optimization (PSO) and simplex simulated annealing (SIMPSA) algorithms were used to determine optimal tracking weights for the simulation of a sidestep cut. The PSO and SIMPSA algorithms were able to produce model kinematics that were within 1.4° of experimental kinematics with residual forces and moments of less than 10 N and 18 Nm, respectively. The PSO algorithm was able to replicate the experimental kinematic data more closely and produce more dynamically consistent kinematic data for a sidestep cut compared to the SIMPSA algorithm. Future studies should use external optimization routines to determine dynamically consistent kinematic data and report the differences between experimental and model data for these musculoskeletal simulations.

Accurate numerical solution of the Helmholtz equation by iterative Lanczos reduction.

PubMed

Ratowsky, R P; Fleck, J A

1991-06-01

The Lanczos recursion algorithm is used to determine forward-propagating solutions for both the paraxial and Helmholtz wave equations for longitudinally invariant refractive indices. By eigenvalue analysis it is demonstrated that the method gives extremely accurate solutions to both equations.

Accurate simulation of backscattering spectra in the presence of sharp resonances

NASA Astrophysics Data System (ADS)

Barradas, N. P.; Alves, E.; Jeynes, C.; Tosaki, M.

2006-06-01

In elastic backscattering spectrometry, the shape of the observed spectrum due to resonances in the nuclear scattering cross-section is influenced by many factors. If the energy spread of the beam before interaction is larger than the resonance width, then a simple convolution with the energy spread on exit and with the detection system resolution will lead to a calculated spectrum with a resonance much sharper than the observed signal. Also, the yield from a thin layer will not be calculated accurately. We have developed an algorithm for the accurate simulation of backscattering spectra in the presence of sharp resonances. Albeit approximate, the algorithm leads to dramatic improvements in the quality and accuracy of the simulations. It is simple to implement and leads to only small increases of the calculation time, being thus suitable for routine data analysis. We show different experimental examples, including samples with roughness and porosity.

Determining the mechanical constitutive properties of metals as a function of strain rate and temperature: A combined experimental and modeling approach

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

I. M. Robertson; A. Beaudoin; J. Lambros

2004-01-05

OAK-135 Development and validation of constitutive models for polycrystalline materials subjected to high strain rate loading over a range of temperatures are needed to predict the response of engineering materials to in-service type conditions (foreign object damage, high-strain rate forging, high-speed sheet forming, deformation behavior during forming, response to extreme conditions, etc.). To account accurately for the complex effects that can occur during extreme and variable loading conditions, requires significant and detailed computational and modeling efforts. These efforts must be closely coupled with precise and targeted experimental measurements that not only verify the predictions of the models, but also providemore » input about the fundamental processes responsible for the macroscopic response. Achieving this coupling between modeling and experimentation is the guiding principle of this program. Specifically, this program seeks to bridge the length scale between discrete dislocation interactions with grain boundaries and continuum models for polycrystalline plasticity. Achieving this goal requires incorporating these complex dislocation-interface interactions into the well-defined behavior of single crystals. Despite the widespread study of metal plasticity, this aspect is not well understood for simple loading conditions, let alone extreme ones. Our experimental approach includes determining the high-strain rate response as a function of strain and temperature with post-mortem characterization of the microstructure, quasi-static testing of pre-deformed material, and direct observation of the dislocation behavior during reloading by using the in situ transmission electron microscope deformation technique. These experiments will provide the basis for development and validation of physically-based constitutive models, which will include dislocation-grain boundary interactions for polycrystalline systems. One aspect of the program will involve the

Determining an Effective Intervention within a Brief Experimental Analysis for Reading: A Meta-Analytic Review

ERIC Educational Resources Information Center

Burns, Matthew K.; Wagner, Dana

2008-01-01

The current study applied meta-analytic procedures to brief experimental analysis research of reading fluency interventions to better inform practice and suggest areas for future research. Thirteen studies were examined to determine what magnitude of effect was needed to identify an intervention as the most effective within a brief experimental…

Morphological and functional determinants of fluoxetine (Prozac)-induced pulmonary disease in an experimental model.

PubMed

Capelozzi, Marco A; Leick-Maldonado, Edna A; Parra, Edwin R; Martins, Mílton A; Tibério, Iolanda F L C; Capelozzi, Vera L

2007-05-14

Fluoxetine treatment effects were determined by evaluating respiratory mechanics (elastance/resistance) and exhaled nitric oxide, as well as mononuclear and polymorphonuclear cell recruitment into the lungs, in an experimental guinea pig model. Guinea pigs were divided into four groups: Fl (fluoxetine only, n=7); Fl+Sw (fluoxetine and forced swimming, n=7); Ns+Sw (normal saline and forced swimming, n=8); and Ns (normal saline only, n=8). Treated animals received oral fluoxetine (10 mg/(kg day)) for 30 consecutive days. On day 31, all animals were anesthetized and mechanically ventilated so that respiratory system elastance and resistance, as well exhaled nitric oxide, could be determined. The lungs were then excised en bloc for histological and immunohistochemical evaluation. Forced swimming induced bronchodilation in untreated animals and bronchoconstriction in fluoxetine-treated animals. Fluoxetine treatment was also associated with mononuclear infiltration (predominantly into alveolar walls) and neutrophil recruitment. In addition, levels of exhaled nitric oxide, an inflammatory marker, were higher in fluoxetine-treated animals. Swimming-induced stress also amplified mononuclear cell recruitment to the lungs. These results show that, in this experimental model, fluoxetine treatment reproduces the pathology of chronic interstitial pneumonia in humans.

Accurate modeling of high-repetition rate ultrashort pulse amplification in optical fibers

PubMed Central

Lindberg, Robert; Zeil, Peter; Malmström, Mikael; Laurell, Fredrik; Pasiskevicius, Valdas

2016-01-01

A numerical model for amplification of ultrashort pulses with high repetition rates in fiber amplifiers is presented. The pulse propagation is modeled by jointly solving the steady-state rate equations and the generalized nonlinear Schrödinger equation, which allows accurate treatment of nonlinear and dispersive effects whilst considering arbitrary spatial and spectral gain dependencies. Comparison of data acquired by using the developed model and experimental results prove to be in good agreement. PMID:27713496

Determination of pKa and the corresponding structures of quinclorac using combined experimental and theoretical approaches

NASA Astrophysics Data System (ADS)

Song, Dean; Sun, Huiqing; Jiang, Xiaohua; Kong, Fanyu; Qiang, Zhimin; Zhang, Aiqian; Liu, Huijuan; Qu, Jiuhui

2018-01-01

As an emerging environmental contaminant, the herbicide quinclorac has attracted much attention in recent years. However, a very fundamental issue, the acid dissociation of quinclorac has not yet to be studied in detail. Herein, the pKa value and the corresponding structures of quinclorac were systematically investigated using combined experimental and theoretical approaches. The experimental pKa of quinclorac was determined by the spectrophotometric method to be 2.65 at 25 °C with ionic strength of 0.05 M, and was corrected to be 2.56 at ionic strength of zero. The molecular structures of quinclorac were then located by employing the DFT calculation. The anionic quinclorac was directly located with the carboxylic group perpendicular to the aromatic ring, while neutral quinclorac was found to be the equivalent twin structures. The result was further confirmed by analyzing the UV/Vis and MS-MS2 spectra from both experimental and theoretical viewpoints. By employing the QSPR approach, the theoretical pKa of QCR was determined to be 2.50, which is excellent agreement with the experimental result obtained herein. The protonation of QCR at the carboxylic group instead of the quinoline structure was attributed to the weak electronegative property of nitrogen atom induced by the electron-withdrawing groups. It is anticipated that this work could not only help in gaining a deep insight into the acid dissociation of quinclorac but also offering the key information on its reaction and interaction with others.

Design and Analysis of an Experimental Setup for Determining the Burst Strength and Material Properties of Hollow Cylinders

DTIC Science & Technology

2015-12-01

NAVAL POSTGRADUATE SCHOOL MONTEREY, CALIFORNIA THESIS Approved for public release; distribution is unlimited DESIGN AND ANALYSIS...2. REPORT DATE December 2015 3. REPORT TYPE AND DATES COVERED Master’s Thesis 4. TITLE AND SUBTITLE DESIGN AND ANALYSIS OF AN EXPERIMENTAL SETUP...Approved for public release; distribution is unlimited DESIGN AND ANALYSIS OF AN EXPERIMENTAL SETUP FOR DETERMINING THE BURST STRENGTH AND MATERIAL

Method for determining optimal supercell representation of interfaces

NASA Astrophysics Data System (ADS)

Stradi, Daniele; Jelver, Line; Smidstrup, Søren; Stokbro, Kurt

2017-05-01

The geometry and structure of an interface ultimately determines the behavior of devices at the nanoscale. We present a generic method to determine the possible lattice matches between two arbitrary surfaces and to calculate the strain of the corresponding matched interface. We apply this method to explore two relevant classes of interfaces for which accurate structural measurements of the interface are available: (i) the interface between pentacene crystals and the (1 1 1) surface of gold, and (ii) the interface between the semiconductor indium-arsenide and aluminum. For both systems, we demonstrate that the presented method predicts interface geometries in good agreement with those measured experimentally, which present nontrivial matching characteristics and would be difficult to guess without relying on automated structure-searching methods.

Experimental determination of quantum-well lifetime effect on large-signal resonant tunneling diode switching time

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

Growden, Tyler A.; Berger, Paul R., E-mail: pberger@ieee.org; Brown, E. R.

An experimental determination is presented of the effect the quantum-well lifetime has on a large-signal resonant tunneling diode (RTD) switching time. Traditional vertical In{sub 0.53}Ga{sub 0.47}As/AlAs RTDs were grown, fabricated, and characterized. The switching time was measured with a high-speed oscilloscope and found to be close to the sum of the calculated RC-limited 10%–90% switching time and the quantum-well quasibound-state lifetime. This method displays experimental evidence that the two intrinsic resonant-tunneling characteristic times act independently, and that the quasibound-state lifetime then serves as a quantum-limit on the large-signal speed of RTDs.

Experimental density measurements of bis(2-ethylhexyl) phthalate at elevated temperatures and pressures

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

Bamgbade, Babatunde A; Wu, Yue; Baled, Hseen O

2013-08-01

Experimental high-temperature, high-pressure (HTHP) density data for bis(2-ethylhexyl) phthalate (DEHP) are reported in this study. DEHP is a popular choice as a reference fluid for viscosity calibrations in the HTHP region. However, reliable HTHP density values are needed for accurate viscosity calculations for certain viscometers (e.g. rolling ball). HTHP densities are determined at T = (373, 424, 476, 492, and 524) K and P to 270 MPa using a variable-volume, high-pressure view cell. The experimental density data are satisfactorily correlated by the modified Tait equation with a mean absolute percent deviation (δ) of 0.15. The experimental data are modeled withmore » the Peng–Robinson (PREoS), volume-translated PREoS (VT-PREoS), and perturbed chain statistical associating fluid theory (PC-SAFT EoS) models. The required parameters for the two PREoS and the PC-SAFT EoS models are determined using group contribution methods. The PC-SAFT EoS performs the best of the three models with a δ of 2.12. The PC-SAFT EoS is also fit to the experimental data to obtain a new set of pure component parameters that yield a δ of 0.20 for these HTHP conditions.« less

Experimental assessment of precision and accuracy of radiostereometric analysis for the determination of polyethylene wear in a total hip replacement model.

PubMed

Bragdon, Charles R; Malchau, Henrik; Yuan, Xunhua; Perinchief, Rebecca; Kärrholm, Johan; Börlin, Niclas; Estok, Daniel M; Harris, William H

2002-07-01

The purpose of this study was to develop and test a phantom model based on actual total hip replacement (THR) components to simulate the true penetration of the femoral head resulting from polyethylene wear. This model was used to study both the accuracy and the precision of radiostereometric analysis, RSA, in measuring wear. We also used this model to evaluate optimum tantalum bead configuration for this particular cup design when used in a clinical setting. A physical model of a total hip replacement (a phantom) was constructed which could simulate progressive, three-dimensional (3-D) penetration of the femoral head into the polyethylene component of a THR. Using a coordinate measuring machine (CMM) the positioning of the femoral head using the phantom was measured to be accurate to within 7 microm. The accuracy and precision of an RSA analysis system was determined from five repeat examinations of the phantom using various experimental set-ups of the phantom. The accuracy of the radiostereometric analysis, in this optimal experimental set-up studied was 33 microm for the medial direction, 22 microm for the superior direction, 86 microm for the posterior direction and 55 microm for the resultant 3-D vector length. The corresponding precision at the 95% confidence interval of the test results for repositioning the phantom five times, measured 8.4 microm for the medial direction, 5.5 microm for the superior direction, 16.0 microm for the posterior direction, and 13.5 microm for the resultant 3-D vector length. This in vitro model is proposed as a useful tool for developing a standard for the evaluation of radiostereometric and other radiographic methods used to measure in vivo wear.

Apparatus enables accurate determination of alkali oxides in alkali metals

NASA Technical Reports Server (NTRS)

Dupraw, W. A.; Gahn, R. F.; Graab, J. W.; Maple, W. E.; Rosenblum, L.

1966-01-01

Evacuated apparatus determines the alkali oxide content of an alkali metal by separating the metal from the oxide by amalgamation with mercury. The apparatus prevents oxygen and moisture from inadvertently entering the system during the sampling and analytical procedure.

Accurate and Rapid Determination of Fatigue Damage in Bridge Superstructures

DOT National Transportation Integrated Search

1992-12-01

Fifteen representative steel bridges throughout the State of Illinois were : instrumented with foil strain gages to determine their frequencies of loading : and the magnitudes of stresses induced by traffic over a 3 to 8-hour period, : depending on t...

[Experimental analysis of some determinants of inductive reasoning].

PubMed

Ono, K

1989-02-01

Three experiments were conducted from a behavioral perspective to investigate the determinants of inductive reasoning and to compare some methodological differences. The dependent variable used in these experiments was the threshold of confident response (TCR), which was defined as "the minimal sample size required to establish generalization from instances." Experiment 1 examined the effects of population size on inductive reasoning, and the results from 35 college students showed that the TCR varied in proportion to the logarithm of population size. In Experiment 2, 30 subjects showed distinct sensitivity to both prior probability and base-rate. The results from 70 subjects who participated in Experiment 3 showed that the TCR was affected by its consequences (risk condition), and especially, that humans were sensitive to a loss situation. These results demonstrate the sensitivity of humans to statistical variables in inductive reasoning. Furthermore, methodological comparison indicated that the experimentally observed values of TCR were close to, but not as precise as the optimal values predicted by Bayes' model. On the other hand, the subjective TCR estimated by subjects was highly discrepant from the observed TCR. These findings suggest that various aspects of inductive reasoning can be fruitfully investigated not only from subjective estimations such as probability likelihood but also from an objective behavioral perspective.

On the accurate theoretical determination of the static hyperpolarizability of trans-butadiene

NASA Astrophysics Data System (ADS)

Maroulis, George

1999-07-01

Finite-field many-body perturbation theory and coupled cluster calculations are reported for the static second dipole hyperpolarizability γαβγδ of trans-butadiene. A very large basis set of [9s6p4d1f/6s3p1d] size (336 contracted Gaussian-type functions) should lead to self-consistent field (SCF) values of near-Hartree-Fock quality. We report γxxxx=6.19, γxxxz=-0.44, γxxyy=3.42, γzzxx=2.07, γxyyz=-0.50, γxzzz=1.73, γyyyy=14.72, γyyzz=8.46, γzzzz=24.10 and γ¯=14.58 for 10-3×γαβγδ/e4a04Eh-3 at the experimental geometry (molecule on the xz plane with z as the main axis). γ¯=(14.6±0.4)×103e4a04Eh-3 should be a very reliable estimate of the Hartree-Fock limit of the mean hyperpolarizability. Keeping all other molecular geometry parameters constant, we find that near the Hartree-Fock limit the mean hyperpolarizability varies with the C=C bond length as 10-3×γ¯(RC=C)/e4a04Eh-3=14.93+31.78ΔR+30.88ΔR2-2.96ΔR3 and with the C-C bond length as 10-3×γ¯(RC-C)/e4a04Eh-3=14.93-7.20ΔR+3.04ΔR2, where ΔR/a0 is the displacement from the respective experimental value. The dependence of the components of γαβγδ on the molecular geometry parameters is not uniform. Electron correlation corrections have been calculated at various molecular geometries at the coupled-cluster single, double and perturbatively linked triple excitations level of theory for all independent components of γαβγδ. In absolute terms, electron correlation affects strongly the γzzzz, less strongly the γxxxx, and even less strongly the out-of-plane component γyyyy. The present analysis suggests a conservative estimate of (3.0±0.6)×103e4a04Eh-3 for the electron correlation correction to γ¯ at the experimental molecular geometry. Most of this value is appropriate to γzzzz. A static limit of γ¯=(17.6±1.0)×103e4a04Eh-3 is advanced (neglecting vibrational averaging). Even if a crude theoretical estimate of the dispersion of γ¯ at 1064 nm is added to this value, the

Quantitative LC-MS of polymers: determining accurate molecular weight distributions by combined size exclusion chromatography and electrospray mass spectrometry with maximum entropy data processing.

PubMed

Gruendling, Till; Guilhaus, Michael; Barner-Kowollik, Christopher

2008-09-15

We report on the successful application of size exclusion chromatography (SEC) combined with electrospray ionization mass spectrometry (ESI-MS) and refractive index (RI) detection for the determination of accurate molecular weight distributions of synthetic polymers, corrected for chromatographic band broadening. The presented method makes use of the ability of ESI-MS to accurately depict the peak profiles and retention volumes of individual oligomers eluting from the SEC column, whereas quantitative information on the absolute concentration of oligomers is obtained from the RI-detector only. A sophisticated computational algorithm based on the maximum entropy principle is used to process the data gained by both detectors, yielding an accurate molecular weight distribution, corrected for chromatographic band broadening. Poly(methyl methacrylate) standards with molecular weights up to 10 kDa serve as model compounds. Molecular weight distributions (MWDs) obtained by the maximum entropy procedure are compared to MWDs, which were calculated by a conventional calibration of the SEC-retention time axis with peak retention data obtained from the mass spectrometer. Comparison showed that for the employed chromatographic system, distributions below 7 kDa were only weakly influenced by chromatographic band broadening. However, the maximum entropy algorithm could successfully correct the MWD of a 10 kDa standard for band broadening effects. Molecular weight averages were between 5 and 14% lower than the manufacturer stated data obtained by classical means of calibration. The presented method demonstrates a consistent approach for analyzing data obtained by coupling mass spectrometric detectors and concentration sensitive detectors to polymer liquid chromatography.

[Experimental study on TCRbeta idiotypic antigenic determinants DNA vaccine to induce anti-lymphoma antibodies].

PubMed

Zhang, Yeping; Zhu, Ping; Shi, Yongjin; Liu, Jihua; Pu, Dingfang; Cao, Xianghong; Zhu, Qiang; Wang, Yijia; Ma, Mingxin; Yu, Jiren

2002-02-01

To investigate the anti-human CEM lymphoma cell activities induced by TCR idiotypic DNA vaccine containing different antigen determinants in BALB/c mice. The specific rearranged gene fragment encoding TCRVbeta region of CEM cell line was obtained by RT-PCR technique. The PCR product was cloned into eukaryocytic expression vector pcDNA3, which was used as DNA vaccine and template for PCR amplifying different antigen determinant. Gene fragments encoding different antigen determinant were amplified and cloned into pcDNA3, separately. The experimental mice were immunized by intramuscular injection of the DNA vaccines. The specific anti-idiotype antibodies were detected by indirect immunofluorescence assay. TCRbetaV of CEM cell line contains five antigen determinants. Specific anti-idiotype antibody was detected in all of the six mice immunized with DNA vaccine containing all the five determinants (the highest titer was 1:480). Although the antibody could also be detected in four of the six mice immunized with DNA vaccine containing four of the five antigen determinants, the antibody titer was lower (the highest titer was 1:80). DNA vaccine containing two of the five determinants could not induce the specific antibody. The idiotypic DNA vaccine containing the whole TCRbetaV five antigen determinants could induce the specific anti-lymphoma idiotypic antibody in BALB/c mice.

An Experimental Determination of the Intelligibility of Two Different Speech Synthesizers in Noise.

DTIC Science & Technology

1987-12-01

to control the signal to noise ratios and to maintain an overall SPL of 80 dBC. The calibration of the speech signal was not easy due to its non ...ft" 432 AN EXPERIMENTAL DETERMINATION OF THE INTELLIGIBILITY OF 1.11 TiHO DIFFERENT SPE (U) PENNSYLVANIA STATE UNIV UNIVERSITY PARK APPLIED RESEARCH ...0 0 * Applied Research Laboratory The Pennsylvania State University CD4 A’ - 4,. ,__ TOO AN EcPERi.taTrAL DETEMINATION OF TlE IIjZINTELLIGIBILITY OF

Comparison of methods for accurate end-point detection of potentiometric titrations

NASA Astrophysics Data System (ADS)

Villela, R. L. A.; Borges, P. P.; Vyskočil, L.

2015-01-01

Detection of the end point in potentiometric titrations has wide application on experiments that demand very low measurement uncertainties mainly for certifying reference materials. Simulations of experimental coulometric titration data and consequential error analysis of the end-point values were conducted using a programming code. These simulations revealed that the Levenberg-Marquardt method is in general more accurate than the traditional second derivative technique used currently as end-point detection for potentiometric titrations. Performance of the methods will be compared and presented in this paper.

Aqueous solubility, effects of salts on aqueous solubility, and partitioning behavior of hexafluorobenzene: experimental results and COSMO-RS predictions.

PubMed

Schröder, Bernd; Freire, Mara G; Varanda, Fatima R; Marrucho, Isabel M; Santos, Luís M N B F; Coutinho, João A P

2011-07-01

The aqueous solubility of hexafluorobenzene has been determined, at 298.15K, using a shake-flask method with a spectrophotometric quantification technique. Furthermore, the solubility of hexafluorobenzene in saline aqueous solutions, at distinct salt concentrations, has been measured. Both salting-in and salting-out effects were observed and found to be dependent on the nature of the cationic/anionic composition of the salt. COSMO-RS, the Conductor-like Screening Model for Real Solvents, has been used to predict the corresponding aqueous solubilities at conditions similar to those used experimentally. The prediction results showed that the COSMO-RS approach is suitable for the prediction of salting-in/-out effects. The salting-in/-out phenomena have been rationalized with the support of COSMO-RS σ-profiles. The prediction potential of COSMO-RS regarding aqueous solubilities and octanol-water partition coefficients has been compared with typically used QSPR-based methods. Up to now, the absence of accurate solubility data for hexafluorobenzene hampered the calculation of the respective partition coefficients. Combining available accurate vapor pressure data with the experimentally determined water solubility, a novel air-water partition coefficient has been derived. Copyright © 2011 Elsevier Ltd. All rights reserved.

Determination of accurate 1H positions of an alanine tripeptide with anti-parallel and parallel β-sheet structures by high resolution 1H solid state NMR and GIPAW chemical shift calculation.

PubMed

Yazawa, Koji; Suzuki, Furitsu; Nishiyama, Yusuke; Ohata, Takuya; Aoki, Akihiro; Nishimura, Katsuyuki; Kaji, Hironori; Shimizu, Tadashi; Asakura, Tetsuo

2012-11-25

The accurate (1)H positions of alanine tripeptide, A(3), with anti-parallel and parallel β-sheet structures could be determined by highly resolved (1)H DQMAS solid-state NMR spectra and (1)H chemical shift calculation with gauge-including projector augmented wave calculations.

Identification of differences between finite element analysis and experimental vibration data

NASA Technical Reports Server (NTRS)

Lawrence, C.

1986-01-01

An important problem that has emerged from combined analytical/experimental investigations is the task of identifying and quantifying the differences between results predicted by F.E. analysis and results obtained from experiment. The objective of this study is to extend and evaluate the procedure developed by Sidhu for correlation of linear F.E. and modal test data to include structures with viscous damping. The desirability of developing this procedure is that the differences are identified in terms of physical mass, damping, and stiffness parameters instead of in terms of frequencies and modes shapes. Since the differences are computed in terms of physical parameters, locations of modeling problems can be directly identified in the F.E. model. From simulated data it was determined that the accuracy of the computed differences increases as the number of experimentally measured modes included in the calculations is increased. When the number of experimental modes is at least equal to the number of translational degrees of freedom in the F.E. model both the location and magnitude of the differences can be computed very accurately. When the number of modes is less than this amount the location of the differences may be determined even though their magnitudes will be under estimated.

Experimental determination of the inertia constants of an airplane or of a missile

NASA Technical Reports Server (NTRS)

Loiseau, H.

1983-01-01

The possibility to measure the inertia constants of an airplane or of a missile by a unique experimental set up without having to materialize axes of rotation was investigated. It is sufficient to suspend the structure appropriately, to obtain the six natural modes determined by the suspension and to introduce these results as data into a computer. If the structure is very flexible it is necessary to take into account the first natural modes of deformation. Experiments on rigid and flexible models led to precise results and allow consideration of full scale measurements. The final goal is to provide, by a standard ground vibration test completed by the measured characteristics of the suspension modes, the set of data necessary for flutter calculations and for the determination of all the inertia constants.

An analytic model for accurate spring constant calibration of rectangular atomic force microscope cantilevers.

PubMed

Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang

2015-10-29

Spring constant calibration of the atomic force microscope (AFM) cantilever is of fundamental importance for quantifying the force between the AFM cantilever tip and the sample. The calibration within the framework of thin plate theory undoubtedly has a higher accuracy and broader scope than that within the well-established beam theory. However, thin plate theory-based accurate analytic determination of the constant has been perceived as an extremely difficult issue. In this paper, we implement the thin plate theory-based analytic modeling for the static behavior of rectangular AFM cantilevers, which reveals that the three-dimensional effect and Poisson effect play important roles in accurate determination of the spring constants. A quantitative scaling law is found that the normalized spring constant depends only on the Poisson's ratio, normalized dimension and normalized load coordinate. Both the literature and our refined finite element model validate the present results. The developed model is expected to serve as the benchmark for accurate calibration of rectangular AFM cantilevers.

Mutations that Cause Human Disease: A Computational/Experimental Approach

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

Beernink, P; Barsky, D; Pesavento, B

understand how an amino acid change affects the protein. The experimental methods that provide the most detailed structural information on proteins are X-ray crystallography and NMR spectroscopy. However, these methods are labor intensive and currently cannot be carried out on a genomic scale. Nonetheless, Structural Genomics projects are being pursued by more than a dozen groups and consortia worldwide and as a result the number of experimentally determined structures is rising exponentially. Based on the expectation that protein structures will continue to be determined at an ever-increasing rate, reliable structure prediction schemes will become increasingly valuable, leading to information on protein function and disease for many different proteins. Given known genetic variability and experimentally determined protein structures, can we accurately predict the effects of single amino acid substitutions? An objective assessment of this question would involve comparing predicted and experimentally determined structures, which thus far has not been rigorously performed. The completed research leveraged existing expertise at LLNL in computational and structural biology, as well as significant computing resources, to address this question.« less

Experimental annotation of the human genome using microarray technology.

PubMed

Shoemaker, D D; Schadt, E E; Armour, C D; He, Y D; Garrett-Engele, P; McDonagh, P D; Loerch, P M; Leonardson, A; Lum, P Y; Cavet, G; Wu, L F; Altschuler, S J; Edwards, S; King, J; Tsang, J S; Schimmack, G; Schelter, J M; Koch, J; Ziman, M; Marton, M J; Li, B; Cundiff, P; Ward, T; Castle, J; Krolewski, M; Meyer, M R; Mao, M; Burchard, J; Kidd, M J; Dai, H; Phillips, J W; Linsley, P S; Stoughton, R; Scherer, S; Boguski, M S

2001-02-15

The most important product of the sequencing of a genome is a complete, accurate catalogue of genes and their products, primarily messenger RNA transcripts and their cognate proteins. Such a catalogue cannot be constructed by computational annotation alone; it requires experimental validation on a genome scale. Using 'exon' and 'tiling' arrays fabricated by ink-jet oligonucleotide synthesis, we devised an experimental approach to validate and refine computational gene predictions and define full-length transcripts on the basis of co-regulated expression of their exons. These methods can provide more accurate gene numbers and allow the detection of mRNA splice variants and identification of the tissue- and disease-specific conditions under which genes are expressed. We apply our technique to chromosome 22q under 69 experimental condition pairs, and to the entire human genome under two experimental conditions. We discuss implications for more comprehensive, consistent and reliable genome annotation, more efficient, full-length complementary DNA cloning strategies and application to complex diseases.

A time-accurate high-resolution TVD scheme for solving the Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Kim, Hyun Dae; Liu, Nan-Suey

1992-01-01

A total variation diminishing (TVD) scheme has been developed and incorporated into an existing time-accurate high-resolution Navier-Stokes code. The accuracy and the robustness of the resulting solution procedure have been assessed by performing many calculations in four different areas: shock tube flows, regular shock reflection, supersonic boundary layer, and shock boundary layer interactions. These numerical results compare well with corresponding exact solutions or experimental data.

On the accurate analysis of vibroacoustics in head insert gradient coils.

PubMed

Winkler, Simone A; Alejski, Andrew; Wade, Trevor; McKenzie, Charles A; Rutt, Brian K

2017-10-01

To accurately analyze vibroacoustics in MR head gradient coils. A detailed theoretical model for gradient coil vibroacoustics, including the first description and modeling of Lorentz damping, is introduced and implemented in a multiphysics software package. Numerical finite-element method simulations were used to establish a highly accurate vibroacoustic model in head gradient coils in detail, including the newly introduced Lorentz damping effect. Vibroacoustic coupling was examined through an additional modal analysis. Thorough experimental studies were used to validate simulations. Average experimental sound pressure levels (SPLs) and accelerations over the 0-3000 Hz frequency range were 97.6 dB, 98.7 dB, and 95.4 dB, as well as 20.6 g, 8.7 g, and 15.6 g for the X-, Y-, and Z-gradients, respectively. A reasonable agreement between simulations and measurements was achieved. Vibroacoustic coupling showed a coupled resonance at 2300 Hz for the Z-gradient that is responsible for a sharp peak and the highest SPL value in the acoustic spectrum. We have developed and used more realistic multiphysics simulation methods to gain novel insights into the underlying concepts for vibroacoustics in head gradient coils, which will permit improved analyses of existing gradient coils and novel SPL reduction strategies for future gradient coil designs. Magn Reson Med 78:1635-1645, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Development and validation of a novel, simple, and accurate spectrophotometric method for the determination of lead in human serum.

PubMed

Shayesteh, Tavakol Heidari; Khajavi, Farzad; Khosroshahi, Abolfazl Ghafuri; Mahjub, Reza

2016-01-01

The determination of blood lead levels is the most useful indicator of the determination of the amount of lead that is absorbed by the human body. Various methods, like atomic absorption spectroscopy (AAS), have already been used for the detection of lead in biological fluid, but most of these methods are based on complicated, expensive, and highly instructed instruments. In this study, a simple and accurate spectroscopic method for the determination of lead has been developed and applied for the investigation of lead concentration in biological samples. In this study, a silica gel column was used to extract lead and eliminate interfering agents in human serum samples. The column was washed with deionized water. The pH was adjusted to the value of 8.2 using phosphate buffer, and then tartrate and cyanide solutions were added as masking agents. The lead content was extracted into the organic phase containing dithizone as a complexion reagent and the dithizone-Pb(II) complex was formed and approved by visible spectrophotometry at 538 nm. The recovery was found to be 84.6 %. In order to validate the method, a calibration curve involving the use of various concentration levels was calculated and proven to be linear in the range of 0.01-1.5 μg/ml, with an R (2) regression coefficient of 0.9968 by statistical analysis of linear model validation. The largest error % values were found to be -5.80 and +11.6 % for intra-day and inter-day measurements, respectively. The largest RSD % values were calculated to be 6.54 and 12.32 % for intra-day and inter-day measurements, respectively. Further, the limit of detection (LOD) was calculated to be 0.002 μg/ml. The developed method was applied to determine the lead content in the human serum of voluntary miners, and it has been proven that there is no statistically significant difference between the data provided from this novel method and the data obtained from previously studied AAS.

Accurate protein structure modeling using sparse NMR data and homologous structure information.

PubMed

Thompson, James M; Sgourakis, Nikolaos G; Liu, Gaohua; Rossi, Paolo; Tang, Yuefeng; Mills, Jeffrey L; Szyperski, Thomas; Montelione, Gaetano T; Baker, David

2012-06-19

While information from homologous structures plays a central role in X-ray structure determination by molecular replacement, such information is rarely used in NMR structure determination because it can be incorrect, both locally and globally, when evolutionary relationships are inferred incorrectly or there has been considerable evolutionary structural divergence. Here we describe a method that allows robust modeling of protein structures of up to 225 residues by combining (1)H(N), (13)C, and (15)N backbone and (13)Cβ chemical shift data, distance restraints derived from homologous structures, and a physically realistic all-atom energy function. Accurate models are distinguished from inaccurate models generated using incorrect sequence alignments by requiring that (i) the all-atom energies of models generated using the restraints are lower than models generated in unrestrained calculations and (ii) the low-energy structures converge to within 2.0 Å backbone rmsd over 75% of the protein. Benchmark calculations on known structures and blind targets show that the method can accurately model protein structures, even with very remote homology information, to a backbone rmsd of 1.2-1.9 Å relative to the conventional determined NMR ensembles and of 0.9-1.6 Å relative to X-ray structures for well-defined regions of the protein structures. This approach facilitates the accurate modeling of protein structures using backbone chemical shift data without need for side-chain resonance assignments and extensive analysis of NOESY cross-peak assignments.

Rapid experimental measurements of physicochemical properties to inform models and testing.

PubMed

Nicolas, Chantel I; Mansouri, Kamel; Phillips, Katherine A; Grulke, Christopher M; Richard, Ann M; Williams, Antony J; Rabinowitz, James; Isaacs, Kristin K; Yau, Alice; Wambaugh, John F

2018-05-02

The structures and physicochemical properties of chemicals are important for determining their potential toxicological effects, toxicokinetics, and route(s) of exposure. These data are needed to prioritize the risk for thousands of environmental chemicals, but experimental values are often lacking. In an attempt to efficiently fill data gaps in physicochemical property information, we generated new data for 200 structurally diverse compounds, which were rigorously selected from the USEPA ToxCast chemical library, and whose structures are available within the Distributed Structure-Searchable Toxicity Database (DSSTox). This pilot study evaluated rapid experimental methods to determine five physicochemical properties, including the log of the octanol:water partition coefficient (known as log(K ow ) or logP), vapor pressure, water solubility, Henry's law constant, and the acid dissociation constant (pKa). For most compounds, experiments were successful for at least one property; log(K ow ) yielded the largest return (176 values). It was determined that 77 ToxPrint structural features were enriched in chemicals with at least one measurement failure, indicating which features may have played a role in rapid method failures. To gauge consistency with traditional measurement methods, the new measurements were compared with previous measurements (where available). Since quantitative structure-activity/property relationship (QSAR/QSPR) models are used to fill gaps in physicochemical property information, 5 suites of QSPRs were evaluated for their predictive ability and chemical coverage or applicability domain of new experimental measurements. The ability to have accurate measurements of these properties will facilitate better exposure predictions in two ways: 1) direct input of these experimental measurements into exposure models; and 2) construction of QSPRs with a wider applicability domain, as their predicted physicochemical values can be used to parameterize exposure

An accurate laser radiometer for determining visible exposure times.

PubMed

Royston, D D

1985-01-01

A laser light radiometer has been developed for the Electro-Optics Branch of the Center for Devices and Radiological Health (CDRH). The radiometer measures direct laser radiation emitted in the visible spectrum. Based upon this measurement, the instrument's microprocessor automatically determines at what time duration the exposure to the measured laser radiation would exceed either the class I accessible emission limits of the Federal Performance Standard for laser products or the maximum permissible exposure limits of laser user safety standards. The instrument also features automatic background level compensation, pulse measurement capability, and self-diagnosis. Measurement of forward surface illumination levels preceding HpD photoradiation therapy is possible.

An experimental investigation devoted to determine heat transfer characteristics in a radiant ceiling heating system

NASA Astrophysics Data System (ADS)

Koca, Aliihsan; Acikgoz, Ozgen; Çebi, Alican; Çetin, Gürsel; Dalkilic, Ahmet Selim; Wongwises, Somchai

2018-02-01

Investigations on heated ceiling method can be considered as a new research area in comparison to the common wall heating-cooling and cooled ceiling methods. In this work, heat transfer characteristics of a heated radiant ceiling system was investigated experimentally. There were different configurations for a single room design in order to determine the convective and radiative heat transfer rates. Almost all details on the arrangement of the test chamber, hydraulic circuit and radiant panels, the measurement equipment and experimental method including uncertainty analysis were revealed in detail indicating specific international standards. Total heat transfer amount from the panels were calculated as the sum of radiation to the unheated surfaces, convection to the air, and conduction heat loss from the backside of the panels. Integral expression of the view factors was calculated by means of the numerical evaluations using Matlab code. By means of this experimental chamber, the radiative, convective and total heat-transfer coefficient values along with the heat flux values provided from the ceiling to the unheated surrounding surfaces have been calculated. Moreover, the details of 28 different experimental case study measurements from the experimental chamber including the convective, radiative and total heat flux, and heat output results are given in a Table for other researchers to validate their theoretical models and empirical correlations.

Probing the geometry of copper and silver adatoms on magnetite: quantitative experiment versus theory† †Electronic supplementary information (ESI) available: Experimental and computational details, as well as further details on the results and analyses. See DOI: 10.1039/c7nr07319d

PubMed Central

Meier, Matthias; Jakub, Zdeněk; Balajka, Jan; Hulva, Jan; Bliem, Roland; Thakur, Pardeep K.; Lee, Tien-Lin; Franchini, Cesare; Schmid, Michael; Diebold, Ulrike; Allegretti, Francesco; Parkinson, Gareth S.

2018-01-01

Accurately modelling the structure of a catalyst is a fundamental prerequisite for correctly predicting reaction pathways, but a lack of clear experimental benchmarks makes it difficult to determine the optimal theoretical approach. Here, we utilize the normal incidence X-ray standing wave (NIXSW) technique to precisely determine the three dimensional geometry of Ag1 and Cu1 adatoms on Fe3O4(001). Both adatoms occupy bulk-continuation cation sites, but with a markedly different height above the surface (0.43 ± 0.03 Å (Cu1) and 0.96 ± 0.03 Å (Ag1)). HSE-based calculations accurately predict the experimental geometry, but the more common PBE + U and PBEsol + U approaches perform poorly. PMID:29334395

Can cancer researchers accurately judge whether preclinical reports will reproduce?

PubMed Central

Mandel, David R.; Kimmelman, Jonathan

2017-01-01

There is vigorous debate about the reproducibility of research findings in cancer biology. Whether scientists can accurately assess which experiments will reproduce original findings is important to determining the pace at which science self-corrects. We collected forecasts from basic and preclinical cancer researchers on the first 6 replication studies conducted by the Reproducibility Project: Cancer Biology (RP:CB) to assess the accuracy of expert judgments on specific replication outcomes. On average, researchers forecasted a 75% probability of replicating the statistical significance and a 50% probability of replicating the effect size, yet none of these studies successfully replicated on either criterion (for the 5 studies with results reported). Accuracy was related to expertise: experts with higher h-indices were more accurate, whereas experts with more topic-specific expertise were less accurate. Our findings suggest that experts, especially those with specialized knowledge, were overconfident about the RP:CB replicating individual experiments within published reports; researcher optimism likely reflects a combination of overestimating the validity of original studies and underestimating the difficulties of repeating their methodologies. PMID:28662052

Simultaneous Determination of Glass Transition Temperatures of Several Polymers.

PubMed

He, Jiang; Liu, Wei; Huang, Yao-Xiong

2016-01-01

A simple and easy optical method is proposed for the determination of glass transition temperature (Tg) of polymers. Tg was determined using the technique of microsphere imaging to monitor the variation of the refractive index of polymer microsphere as a function of temperature. It was demonstrated that the method can eliminate most thermal lag and has sensitivity about six fold higher than the conventional method in Tg determination. So the determined Tg is more accurate and varies less with cooling/heating rate than that obtained by conventional methods. The most attractive character of the method is that it can simultaneously determine the Tg of several polymers in a single experiment, so it can greatly save experimental time and heating energy. The method is not only applicable for polymer microspheres, but also for the materials with arbitrary shapes. Therefore, it is expected to be broadly applied to different fundamental researches and practical applications of polymers.

Simultaneous Determination of Glass Transition Temperatures of Several Polymers

PubMed Central

He, Jiang; Liu, Wei; Huang, Yao-Xiong

2016-01-01

Aims A simple and easy optical method is proposed for the determination of glass transition temperature (Tg) of polymers. Methods & Results Tg was determined using the technique of microsphere imaging to monitor the variation of the refractive index of polymer microsphere as a function of temperature. It was demonstrated that the method can eliminate most thermal lag and has sensitivity about six fold higher than the conventional method in Tg determination. So the determined Tg is more accurate and varies less with cooling/heating rate than that obtained by conventional methods. The most attractive character of the method is that it can simultaneously determine the Tg of several polymers in a single experiment, so it can greatly save experimental time and heating energy. Conclusion The method is not only applicable for polymer microspheres, but also for the materials with arbitrary shapes. Therefore, it is expected to be broadly applied to different fundamental researches and practical applications of polymers. PMID:26985670

Interference modelling, experimental design and pre-concentration steps in validation of the Fenton's reagent for pesticides determination.

PubMed

Ostra, Miren; Ubide, Carlos; Zuriarrain, Juan

2007-02-12

The determination of atrazine in real samples (commercial pesticide preparations and water matrices) shows how the Fenton's reagent can be used with analytical purposes when kinetic methodology and multivariate calibration methods are applied. Also, binary mixtures of atrazine-alachlor and atrazine-bentazone in pesticide preparations have been resolved. The work shows the way in which interferences and the matrix effect can be modelled. Experimental design has been used to optimize experimental conditions, including the effect of solvent (methanol) used for extraction of atrazine from the sample. The determination of pesticides in commercial preparations was accomplished without any pre-treatment of sample apart from evaporation of solvent; the calibration model was developed for concentration ranges between 0.46 and 11.6 x 10(-5) mol L(-1) with mean relative errors under 4%. Solid-phase extraction is used for pre-concentration of atrazine in water samples through C(18) disks, and the concentration range for determination was established between 4 and 115 microg L(-1) approximately. Satisfactory results for recuperation of atrazine were always obtained.

Exchange-Hole Dipole Dispersion Model for Accurate Energy Ranking in Molecular Crystal Structure Prediction.

PubMed

Whittleton, Sarah R; Otero-de-la-Roza, A; Johnson, Erin R

2017-02-14

Accurate energy ranking is a key facet to the problem of first-principles crystal-structure prediction (CSP) of molecular crystals. This work presents a systematic assessment of B86bPBE-XDM, a semilocal density functional combined with the exchange-hole dipole moment (XDM) dispersion model, for energy ranking using 14 compounds from the first five CSP blind tests. Specifically, the set of crystals studied comprises 11 rigid, planar compounds and 3 co-crystals. The experimental structure was correctly identified as the lowest in lattice energy for 12 of the 14 total crystals. One of the exceptions is 4-hydroxythiophene-2-carbonitrile, for which the experimental structure was correctly identified once a quasi-harmonic estimate of the vibrational free-energy contribution was included, evidencing the occasional importance of thermal corrections for accurate energy ranking. The other exception is an organic salt, where charge-transfer error (also called delocalization error) is expected to cause the base density functional to be unreliable. Provided the choice of base density functional is appropriate and an estimate of temperature effects is used, XDM-corrected density-functional theory is highly reliable for the energetic ranking of competing crystal structures.

NNLOPS accurate associated HW production

NASA Astrophysics Data System (ADS)

Astill, William; Bizon, Wojciech; Re, Emanuele; Zanderighi, Giulia

2016-06-01

We present a next-to-next-to-leading order accurate description of associated HW production consistently matched to a parton shower. The method is based on reweighting events obtained with the HW plus one jet NLO accurate calculation implemented in POWHEG, extended with the MiNLO procedure, to reproduce NNLO accurate Born distributions. Since the Born kinematics is more complex than the cases treated before, we use a parametrization of the Collins-Soper angles to reduce the number of variables required for the reweighting. We present phenomenological results at 13 TeV, with cuts suggested by the Higgs Cross section Working Group.

Accurate determination of genetic identity for a single cacao bean, using molecular markers with a nanofluidic system, ensures cocoa authentication.

PubMed

Fang, Wanping; Meinhardt, Lyndel W; Mischke, Sue; Bellato, Cláudia M; Motilal, Lambert; Zhang, Dapeng

2014-01-15

Cacao (Theobroma cacao L.), the source of cocoa, is an economically important tropical crop. One problem with the premium cacao market is contamination with off-types adulterating raw premium material. Accurate determination of the genetic identity of single cacao beans is essential for ensuring cocoa authentication. Using nanofluidic single nucleotide polymorphism (SNP) genotyping with 48 SNP markers, we generated SNP fingerprints for small quantities of DNA extracted from the seed coat of single cacao beans. On the basis of the SNP profiles, we identified an assumed adulterant variety, which was unambiguously distinguished from the authentic beans by multilocus matching. Assignment tests based on both Bayesian clustering analysis and allele frequency clearly separated all 30 authentic samples from the non-authentic samples. Distance-based principle coordinate analysis further supported these results. The nanofluidic SNP protocol, together with forensic statistical tools, is sufficiently robust to establish authentication and to verify gourmet cacao varieties. This method shows significant potential for practical application.

Experimental Observation of Bohr's Nonlinear Fluidic Surface Oscillation.

PubMed

Moon, Songky; Shin, Younghoon; Kwak, Hojeong; Yang, Juhee; Lee, Sang-Bum; Kim, Soyun; An, Kyungwon

2016-01-25

Niels Bohr in the early stage of his career developed a nonlinear theory of fluidic surface oscillation in order to study surface tension of liquids. His theory includes the nonlinear interaction between multipolar surface oscillation modes, surpassing the linear theory of Rayleigh and Lamb. It predicts a specific normalized magnitude of 0.416η(2) for an octapolar component, nonlinearly induced by a quadrupolar one with a magnitude of η much less than unity. No experimental confirmation on this prediction has been reported. Nonetheless, accurate determination of multipolar components is important as in optical fiber spinning, film blowing and recently in optofluidic microcavities for ray and wave chaos studies and photonics applications. Here, we report experimental verification of his theory. By using optical forward diffraction, we measured the cross-sectional boundary profiles at extreme positions of a surface-oscillating liquid column ejected from a deformed microscopic orifice. We obtained a coefficient of 0.42 ± 0.08 consistently under various experimental conditions. We also measured the resonance mode spectrum of a two-dimensional cavity formed by the cross-sectional segment of the liquid jet. The observed spectra agree well with wave calculations assuming a coefficient of 0.414 ± 0.011. Our measurements establish the first experimental observation of Bohr's hydrodynamic theory.

Determining Sample Size for Accurate Estimation of the Squared Multiple Correlation Coefficient.

ERIC Educational Resources Information Center

Algina, James; Olejnik, Stephen

2000-01-01

Discusses determining sample size for estimation of the squared multiple correlation coefficient and presents regression equations that permit determination of the sample size for estimating this parameter for up to 20 predictor variables. (SLD)

Comparison of the excretion of sodium and meglumine diatrizoate at urography with simulated compression: an experimental study in the rat.

PubMed

Owman, T

1981-07-01

In the experimental model in the rabbit the excretion of sodium and meglumine diatrizoate, respectively, have been compared. Urographic density which was estimated through renal pelvic volume as calculated according to previous experiments (Owman 1978; Owman & Olin 1980) and urinary iodine concentration, is suggested to be more accurate than mere determination of urine iodine concentration and diuresis when evaluating and comparing urographic contrast media experimentally. More reliable dose optima are probably found when calculating density rather than determining urine concentrations. Of the examined media in this investigation, the sodium salt of diatrizoate was not superior to the meglumine salt in dose ranges up to 320 mg I/kg body weight, while at higher doses sodium diatrizoate gave higher urinary iodine concentrations and higher estimated density.

Radio interferometric measurements for accurate planetary orbiter navigation

NASA Technical Reports Server (NTRS)

Poole, S. R.; Ananda, M.; Hildebrand, C. E.

1979-01-01

The use of narrowband delta-VLBI to achieve accurate orbit determination is presented by viewing a spacecraft from widely separated stations followed by viewing a nearby quasar from the same stations. Current analysis is examined that establishes the orbit determination accuracy achieved with data arcs spanning up to 3.5 d. Strategies for improving prediction accuracy are given, and the performance of delta-VLBI is compared with conventional radiometric tracking data. It is found that accuracy 'within the fit' is on the order of 0.5 km for data arcs having delta-VLBI on the ends of the arcs and for arc lengths varying from one baseline to 3.5 d. The technique is discussed with reference to the proposed Venus Orbiting Imaging Radar mission.

THE HYPERFINE STRUCTURE OF THE ROTATIONAL SPECTRUM OF HDO AND ITS EXTENSION TO THE THz REGION: ACCURATE REST FREQUENCIES AND SPECTROSCOPIC PARAMETERS FOR ASTROPHYSICAL OBSERVATIONS

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

Cazzoli, Gabriele; Lattanzi, Valerio; Puzzarini, Cristina

2015-06-10

The rotational spectrum of the mono-deuterated isotopologue of water, HD{sup 16}O, has been investigated in the millimeter- and submillimeter-wave frequency regions, up to 1.6 THz. The Lamb-dip technique has been exploited to obtain sub-Doppler resolution and to resolve the hyperfine (hf) structure due to the deuterium and hydrogen nuclei, thus enabling the accurate determination of the corresponding hf parameters. Their experimental determination has been supported by high-level quantum-chemical calculations. The Lamb-dip measurements have been supplemented by Doppler-limited measurements (weak high-J and high-frequency transitions) in order to extend the predictive capability of the available spectroscopic constants. The possibility of resolving hfmore » splittings in astronomical spectra has been discussed.« less

Time-Accurate Solutions of Incompressible Navier-Stokes Equations for Potential Turbopump Applications

NASA Technical Reports Server (NTRS)

Kiris, Cetin; Kwak, Dochan

2001-01-01

Two numerical procedures, one based on artificial compressibility method and the other pressure projection method, are outlined for obtaining time-accurate solutions of the incompressible Navier-Stokes equations. The performance of the two method are compared by obtaining unsteady solutions for the evolution of twin vortices behind a at plate. Calculated results are compared with experimental and other numerical results. For an un- steady ow which requires small physical time step, pressure projection method was found to be computationally efficient since it does not require any subiterations procedure. It was observed that the artificial compressibility method requires a fast convergence scheme at each physical time step in order to satisfy incompressibility condition. This was obtained by using a GMRES-ILU(0) solver in our computations. When a line-relaxation scheme was used, the time accuracy was degraded and time-accurate computations became very expensive.

An Experimental Determination of Static Magnetic Fields Induced Noise in Living Systems

NASA Astrophysics Data System (ADS)

Brady, Megan; Laramee, Craig

2013-03-01

Living systems are constantly exposed to static magnetic fields (SMFs) from both natural and man-made sources. Exposures vary in dose and duration ranging from geomagnetic (~50 μT) to residential and industrial (~10s of mT) fields. Efforts to characterize responses to SMFs have yielded conflicting results, showing a dependence on experimental variables used. Here we argue that low to moderate SMF exposure is a sub-threshold perturbation operating below thermal noise, and assays that evaluate statistical characteristics of a single cell may identify responses not consistently found by population averaging approaches. Recent studies of gene expression show that it is a stochastic process capable of producing bursting dynamics. Moreover, theoretical and experimental methods have also been developed to allow quantitative estimates of the associated biophysical parameters. These developments provide a new way to assess responses of living systems to SMFs. In this work, we report on our efforts to use single molecule fluorescence in situ hybridization to assess responses of NIH-3T3 cells to SMF exposure at flux densities ranging from 1 to 440 mT for 48 hours. Results will contribute to determining mechanisms by which SMF exposure influences gene expression.

Planck Constant Determination from Power Equivalence

NASA Astrophysics Data System (ADS)

Newell, David B.

2000-04-01

Equating mechanical to electrical power links the kilogram, the meter, and the second to the practical realizations of the ohm and the volt derived from the quantum Hall and the Josephson effects, yielding an SI determination of the Planck constant. The NIST watt balance uses this power equivalence principle, and in 1998 measured the Planck constant with a combined relative standard uncertainty of 8.7 x 10-8, the most accurate determination to date. The next generation of the NIST watt balance is now being assembled. Modification to the experimental facilities have been made to reduce the uncertainty components from vibrations and electromagnetic interference. A vacuum chamber has been installed to reduce the uncertainty components associated with performing the experiment in air. Most of the apparatus is in place and diagnostic testing of the balance should begin this year. Once a combined relative standard uncertainty of one part in 10-8 has been reached, the power equivalence principle can be used to monitor the possible drift in the artifact mass standard, the kilogram, and provide an accurate alternative definition of mass in terms of fundamental constants. *Electricity Division, Electronics and Electrical Engineering Laboratory, Technology Administration, U.S. Department of Commerce. Contribution of the National Institute of Standards and Technology, not subject to copyright in the U.S.

Experimentally determined subsolidus metal-olivine element partitioning with applications to pallasites

NASA Astrophysics Data System (ADS)

Donohue, Patrick H.; Hill, Eddy; Huss, Gary R.

2018-02-01

Pallasite meteorites, which consist primarily of olivine and metal, may be remnants of disrupted core-mantle boundaries of differentiated asteroids or planetesimals. The early thermal histories of pallasites are potentially recorded by minor- and trace-element zonation in olivine. However, constraining this history requires knowledge of element behavior under the conditions of pallasite formation, which is lacking for many of the main elements of interest (e.g., Co, Cr, Mn). In this study, we experimentally determined metal/olivine partition coefficients for Fe, Ni, Co, Cr, and Mn in a pallasite analogue at subsolidus temperatures. Metal/olivine partition coefficients (KM) increase in the order KMn < KCr < 1 < KFe < KCo < KNi, with five orders of magnitude separating KMn from KNi. Transition metals also become more siderophile with increasing experimental temperature (900-1550 °C). The experiments incidentally produced diffusion profiles in olivine for these elements; our results suggest they diffuse through olivine at similar rates. Core compositions of pallasite olivines are consistent with high-temperature equilibration with FeNi-metal. Olivine zonation toward crystal rims varies significantly for the investigated transition metals. We suggest rim zonation results from partial re-equilibration during late stage crystallization of minor phases (e.g., chromite, phosphates). This re-equilibration occurred over short timescales relative to overall pallasite cooling, likely tied to initial cooling rates on the order of 100-300 °C/Myr.

Validation of reference genes for quantitative gene expression analysis in experimental epilepsy.

PubMed

Sadangi, Chinmaya; Rosenow, Felix; Norwood, Braxton A

2017-12-01

To grasp the molecular mechanisms and pathophysiology underlying epilepsy development (epileptogenesis) and epilepsy itself, it is important to understand the gene expression changes that occur during these phases. Quantitative real-time polymerase chain reaction (qPCR) is a technique that rapidly and accurately determines gene expression changes. It is crucial, however, that stable reference genes are selected for each experimental condition to ensure that accurate values are obtained for genes of interest. If reference genes are unstably expressed, this can lead to inaccurate data and erroneous conclusions. To date, epilepsy studies have used mostly single, nonvalidated reference genes. This is the first study to systematically evaluate reference genes in male Sprague-Dawley rat models of epilepsy. We assessed 15 potential reference genes in hippocampal tissue obtained from 2 different models during epileptogenesis, 1 model during chronic epilepsy, and a model of noninjurious seizures. Reference gene ranking varied between models and also differed between epileptogenesis and chronic epilepsy time points. There was also some variance between the four mathematical models used to rank reference genes. Notably, we found novel reference genes to be more stably expressed than those most often used in experimental epilepsy studies. The consequence of these findings is that reference genes suitable for one epilepsy model may not be appropriate for others and that reference genes can change over time. It is, therefore, critically important to validate potential reference genes before using them as normalizing factors in expression analysis in order to ensure accurate, valid results. © 2017 Wiley Periodicals, Inc.

High Frequency QRS ECG Accurately Detects Cardiomyopathy

NASA Technical Reports Server (NTRS)

Schlegel, Todd T.; Arenare, Brian; Poulin, Gregory; Moser, Daniel R.; Delgado, Reynolds

2005-01-01

RAZ scoring is a simple, accurate and inexpensive screening technique for cardiomyopathy. Although HF QRS ECG is highly sensitive for cardiomyopathy, its specificity may be compromised in patients with cardiac pathologies other than cardiomyopathy, such as uncomplicated coronary artery disease or multiple coronary disease risk factors. Further studies are required to determine whether HF QRS might be useful for monitoring cardiomyopathy severity or the efficacy of therapy in a longitudinal fashion.

Experimental determination of exchange constants in antiferromagnetic Mn2Au

NASA Astrophysics Data System (ADS)

Sapozhnik, A. A.; Luo, C.; Ryll, H.; Radu, F.; Jourdan, M.; Zabel, H.; Elmers, Hans-Joachim

2018-05-01

Mn2Au is an important antiferromagnetic (AF) material for spintronics applications. Due to its very high Néel temperature of about 1500 K, some of the basic properties are difficult to explore, such as the AF susceptibility and the exchange constants. Experimental determination of these parameters is further hampered in thin films by the unavoidable presence of uncompensated and quasiloose spins on antisites and at interfaces. Using x-ray magnetic circular dichroism (XMCD), we measured induced perpendicular spin and orbital moments for a Mn2Au (001) film in fields up to ±8 T. By performing these measurements at a low temperature of 7 K and at room temperature (RT), we were able to separate the loose spin contribution from the susceptibility of AF coupled spins. The value of the AF exchange constant obtained with this method for a 10-nm-thick Mn2Au (001) film is (22 ±5 )meV .

Accurate Arabic Script Language/Dialect Classification

DTIC Science & Technology

2014-01-01

Army Research Laboratory Accurate Arabic Script Language/Dialect Classification by Stephen C. Tratz ARL-TR-6761 January 2014 Approved for public...1197 ARL-TR-6761 January 2014 Accurate Arabic Script Language/Dialect Classification Stephen C. Tratz Computational and Information Sciences...Include area code) Standard Form 298 (Rev. 8/98) Prescribed by ANSI Std. Z39.18 January 2014 Final Accurate Arabic Script Language/Dialect Classification

An experimental study for determining human discomfort response to roll vibration

NASA Technical Reports Server (NTRS)

Leatherwood, J. D.; Dempsey, T. K.; Clevenson, S. A.

1976-01-01

An experimental study using a passenger ride quality apparatus (PRQA) was conducted to determine the subjective reactions of passengers to roll vibrations. The data obtained illustrate the effect upon human comfort of several roll-vibration parameters: namely, roll acceleration level, roll frequency, and seat location (i.e., distance from axis of rotation). Results of an analysis of variance indicated that seat location had no effect on discomfort ratings of roll vibrations. The effect of roll acceleration level was significant, and discomfort ratings increased markedly with increasing roll acceleration level at all roll frequencies investigated. Of particular interest, is the fact that the relationship between discomfort ratings and roll acceleration level was linear in nature. The effect of roll frequency also was significant as was the interaction between roll acceleration level and roll frequency.

An accurate automated technique for quasi-optics measurement of the microwave diagnostics for fusion plasma

NASA Astrophysics Data System (ADS)

Hu, Jianqiang; Liu, Ahdi; Zhou, Chu; Zhang, Xiaohui; Wang, Mingyuan; Zhang, Jin; Feng, Xi; Li, Hong; Xie, Jinlin; Liu, Wandong; Yu, Changxuan

2017-08-01

A new integrated technique for fast and accurate measurement of the quasi-optics, especially for the microwave/millimeter wave diagnostic systems of fusion plasma, has been developed. Using the LabVIEW-based comprehensive scanning system, we can realize not only automatic but also fast and accurate measurement, which will help to eliminate the effects of temperature drift and standing wave/multi-reflection. With the Matlab-based asymmetric two-dimensional Gaussian fitting method, all the desired parameters of the microwave beam can be obtained. This technique can be used in the design and testing of microwave diagnostic systems such as reflectometers and the electron cyclotron emission imaging diagnostic systems of the Experimental Advanced Superconducting Tokamak.

Calculating accurate aboveground dry weight biomass of herbaceous vegetation in the Great Plains: A comparison of three calculations to determine the least resource intensive and most accurate method

Treesearch

Ben Butler

2007-01-01

Obtaining accurate biomass measurements is often a resource-intensive task. Data collection crews often spend large amounts of time in the field clipping, drying, and weighing grasses to calculate the biomass of a given vegetation type. Such a problem is currently occurring in the Great Plains region of the Bureau of Indian Affairs. A study looked at six reservations...

Tools for Accurate and Efficient Analysis of Complex Evolutionary Mechanisms in Microbial Genomes. Final Report

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

Nakhleh, Luay

I proposed to develop computationally efficient tools for accurate detection and reconstruction of microbes' complex evolutionary mechanisms, thus enabling rapid and accurate annotation, analysis and understanding of their genomes. To achieve this goal, I proposed to address three aspects. (1) Mathematical modeling. A major challenge facing the accurate detection of HGT is that of distinguishing between these two events on the one hand and other events that have similar "effects." I proposed to develop a novel mathematical approach for distinguishing among these events. Further, I proposed to develop a set of novel optimization criteria for the evolutionary analysis of microbialmore » genomes in the presence of these complex evolutionary events. (2) Algorithm design. In this aspect of the project, I proposed to develop an array of e cient and accurate algorithms for analyzing microbial genomes based on the formulated optimization criteria. Further, I proposed to test the viability of the criteria and the accuracy of the algorithms in an experimental setting using both synthetic as well as biological data. (3) Software development. I proposed the nal outcome to be a suite of software tools which implements the mathematical models as well as the algorithms developed.« less

Achieving perceptually-accurate aural telepresence

NASA Astrophysics Data System (ADS)

Henderson, Paul D.

Immersive multimedia requires not only realistic visual imagery but also a perceptually-accurate aural experience. A sound field may be presented simultaneously to a listener via a loudspeaker rendering system using the direct sound from acoustic sources as well as a simulation or "auralization" of room acoustics. Beginning with classical Wave-Field Synthesis (WFS), improvements are made to correct for asymmetries in loudspeaker array geometry. Presented is a new Spatially-Equalized WFS (SE-WFS) technique to maintain the energy-time balance of a simulated room by equalizing the reproduced spectrum at the listener for a distribution of possible source angles. Each reproduced source or reflection is filtered according to its incidence angle to the listener. An SE-WFS loudspeaker array of arbitrary geometry reproduces the sound field of a room with correct spectral and temporal balance, compared with classically-processed WFS systems. Localization accuracy of human listeners in SE-WFS sound fields is quantified by psychoacoustical testing. At a loudspeaker spacing of 0.17 m (equivalent to an aliasing cutoff frequency of 1 kHz), SE-WFS exhibits a localization blur of 3 degrees, nearly equal to real point sources. Increasing the loudspeaker spacing to 0.68 m (for a cutoff frequency of 170 Hz) results in a blur of less than 5 degrees. In contrast, stereophonic reproduction is less accurate with a blur of 7 degrees. The ventriloquist effect is psychometrically investigated to determine the effect of an intentional directional incongruence between audio and video stimuli. Subjects were presented with prerecorded full-spectrum speech and motion video of a talker's head as well as broadband noise bursts with a static image. The video image was displaced from the audio stimulus in azimuth by varying amounts, and the perceived auditory location measured. A strong bias was detectable for small angular discrepancies between audio and video stimuli for separations of less than 8

Workshop on Measurement Needs for Local-Structure Determination in Inorganic Materials

PubMed Central

Levin, Igor; Vanderah, Terrell

2008-01-01

The functional responses (e.g., dielectric, magnetic, catalytic, etc.) of many industrially-relevant materials are controlled by their local structure—a term that refers to the atomic arrangements on a scale ranging from atomic (sub-nanometer) to several nanometers. Thus, accurate knowledge of local structure is central to understanding the properties of nanostructured materials, thereby placing the problem of determining atomic positions on the nanoscale—the so-called “nanostructure problem”—at the center of modern materials development. Today, multiple experimental techniques exist for probing local atomic arrangements; nonetheless, finding accurate comprehensive, and robust structural solutions for the nanostructured materials still remains a formidable challenge because any one of these methods yields only a partial view of the local structure. The primary goal of this 2-day NIST-sponsored workshop was to bring together experts in the key experimental and theoretical areas relevant to local-structure determination to devise a strategy for the collaborative effort required to develop a comprehensive measurement solution on the local scale. The participants unanimously agreed that solving the nanostructure problem—an ultimate frontier in materials characterization—necessitates a coordinated interdisciplinary effort that transcends the existing capabilities of any single institution, including national laboratories, centers, and user facilities. The discussions converged on an institute dedicated to local structure determination as the most viable organizational platform for successfully addressing the nanostructure problem. The proposed “institute” would provide an intellectual infrastructure for local structure determination by (1) developing and maintaining relevant computer software integrated in an open-source global optimization framework (Fig. 2), (2) connecting industrial and academic users with experts in measurement techniques, (3

More accurate depiction of adsorption energy on transition metals using work function as one additional descriptor.

PubMed

Shen, Xiaochen; Pan, Yanbo; Liu, Bin; Yang, Jinlong; Zeng, Jie; Peng, Zhenmeng

2017-05-24

The reaction mechanism and properties of a catalytic process are primarily determined by the interactions between reacting species and catalysts. However, the interactions are often challenging to be experimentally measured, especially for unstable intermediates. Therefore, it is of significant importance to establish an exact relationship between chemical-catalyst interactions and catalyst parameters, which will allow calculation of these interactions and thus advance their mechanistic understanding. Herein we report the description of adsorption energy on transition metals by considering both ionic bonding and covalent bonding contributions and introduce the work function as one additional responsible parameter. We find that the adsorption energy can be more accurately described using a two-dimensional (2D) polynomial model, which shows a significant improvement compared with the current adsorption energy-d-band center linear correlation. We also demonstrate the utilization of this new 2D polynomial model to calculate oxygen binding energy of different transition metals to help understand their catalytic properties in oxygen reduction reactions.

Determining the best phenological state for accurate mapping of Phragmites australis in wetlands using time series multispectral satellite data

NASA Astrophysics Data System (ADS)

Rupasinghe, P. A.; Markle, C. E.; Marcaccio, J. V.; Chow-Fraser, P.

2017-12-01

Phragmites australis (European common reed), is a relatively recent invader of wetlands and beaches in Ontario. It can establish large homogenous stands within wetlands and disperse widely throughout the landscape by wind and vehicular traffic. A first step in managing this invasive species includes accurate mapping and quantification of its distribution. This is challenging because Phragimtes is distributed in a large spatial extent, which makes the mapping more costly and time consuming. Here, we used freely available multispectral satellite images taken monthly (cloud free images as available) for the calendar year to determine the optimum phenological state of Phragmites that would allow it to be accurately identified using remote sensing data. We analyzed time series, Landsat-8 OLI and Sentinel-2 images for Big Creek Wildlife Area, ON using image classification (Support Vector Machines), Normalized Difference Vegetation Index (NDVI) and Normalized Difference Water Index (NDWI). We used field sampling data and high resolution image collected using Unmanned Aerial Vehicle (UAV; 8 cm spatial resolution) as training data and for the validation of the classified images. The accuracy for all land cover classes and for Phragmites alone were low at both the start and end of the calendar year, but reached overall accuracy >85% by mid to late summer. The highest classification accuracies for Landsat-8 OLI were associated with late July and early August imagery. We observed similar trends using the Sentinel-2 images, with higher overall accuracy for all land cover classes and for Phragmites alone from late July to late September. During this period, we found the greatest difference between Phragmites and Typha, commonly confused classes, with respect to near-infrared and shortwave infrared reflectance. Therefore, the unique spectral signature of Phragmites can be attributed to both the level of greenness and factors related to water content in the leaves during late

The emotional and reconstructive determinants of emotional memories: an experimental approach to flashbulb memory investigation.

PubMed

Lanciano, Tiziana; Curci, Antonietta; Semin, Gun R

2010-07-01

Flashbulb memories (FBMs) are vivid and detailed memories of the reception context of a public emotional event. Brown and Kulik (1977) introduced the label FBM to suggest the idea that individuals are able to preserve knowledge of an event in an indiscriminate way, in analogy with a photograph that preserves all details of a scene. Research work on FBMs has primarily been conducted using a naturalistic approach in order to explore the role of the emotional and reconstructive factors on FBM formation and maintenance. Nevertheless, these studies lack a sufficient control on the factors that might intervene in the process of FBM formation. The contribution of the present studies is addressed to experimentally investigating the role of emotional and reconstructive factors on emotionally charged memories, specifically on FBMs. Paralleling FBM findings, the two studies revealed that simply being in an emotional state allows people to remember all available information, such as irrelevant and unrelated details. Furthermore, the resulting memories are affected by reconstructive processes so that they are not as accurate as their richness of details would suggest.

An experimental method for directly determining the interconnectivity of melt in a partially molten system

NASA Technical Reports Server (NTRS)

Daines, Martha J.; Richter, Frank M.

1988-01-01

An experimental method for directly determining the degree of interconnectivity of melt in a partially molten system is discussed using an olivine-basalt system as an example. Samarium 151 is allowed time to diffuse through mixtures of olivine and basalt powder which have texturally equilibrated at 1350 C and 13 to 15 kbars. The final distribution of samarium is determined through examination of developed radiographs of the samples. Results suggest an interconnected melt network is established at melt fractions at least as low as 1 wt pct and all melt is completely interconnected at melt fractions at least as low as 2 wt pct for the system examined.

Technical Note: Determination of the SCS initial abstraction ratio in an experimental watershed in Greece

NASA Astrophysics Data System (ADS)

Baltas, E. A.; Dervos, N. A.; Mimikou, M. A.

2007-11-01

The present study was conducted in an experimental watershed in Attica, Greece, using observed rainfall/runoff events. The objective of the study was the determination of the initial abstraction ratio of the watershed. The average ratio (Ia/S) of the entire watershed was equal to 0.014. The corresponding ratio at a subwatershed was 0.037. The difference was attributed to the different spatial distribution of landuses and geological formations at the extent of the watershed. Both of the determined ratios are close to the ratio value of 0.05 that has been suggested from many studies for the improvement of the SCS-CN method.

An inverse method for determining the spatially resolved properties of viscoelastic–viscoplastic three-dimensional printed materials

PubMed Central

Chen, X.; Ashcroft, I. A.; Wildman, R. D.; Tuck, C. J.

2015-01-01

A method using experimental nanoindentation and inverse finite-element analysis (FEA) has been developed that enables the spatial variation of material constitutive properties to be accurately determined. The method was used to measure property variation in a three-dimensional printed (3DP) polymeric material. The accuracy of the method is dependent on the applicability of the constitutive model used in the inverse FEA, hence four potential material models: viscoelastic, viscoelastic–viscoplastic, nonlinear viscoelastic and nonlinear viscoelastic–viscoplastic were evaluated, with the latter enabling the best fit to experimental data. Significant changes in material properties were seen in the depth direction of the 3DP sample, which could be linked to the degree of cross-linking within the material, a feature inherent in a UV-cured layer-by-layer construction method. It is proposed that the method is a powerful tool in the analysis of manufacturing processes with potential spatial property variation that will also enable the accurate prediction of final manufactured part performance. PMID:26730216

An inverse method for determining the spatially resolved properties of viscoelastic-viscoplastic three-dimensional printed materials.

PubMed

Chen, X; Ashcroft, I A; Wildman, R D; Tuck, C J

2015-11-08

A method using experimental nanoindentation and inverse finite-element analysis (FEA) has been developed that enables the spatial variation of material constitutive properties to be accurately determined. The method was used to measure property variation in a three-dimensional printed (3DP) polymeric material. The accuracy of the method is dependent on the applicability of the constitutive model used in the inverse FEA, hence four potential material models: viscoelastic, viscoelastic-viscoplastic, nonlinear viscoelastic and nonlinear viscoelastic-viscoplastic were evaluated, with the latter enabling the best fit to experimental data. Significant changes in material properties were seen in the depth direction of the 3DP sample, which could be linked to the degree of cross-linking within the material, a feature inherent in a UV-cured layer-by-layer construction method. It is proposed that the method is a powerful tool in the analysis of manufacturing processes with potential spatial property variation that will also enable the accurate prediction of final manufactured part performance.

38 CFR 4.46 - Accurate measurement.

Code of Federal Regulations, 2011 CFR

2011-07-01

... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate... indispensable in examinations conducted within the Department of Veterans Affairs. Muscle atrophy must also be...

38 CFR 4.46 - Accurate measurement.

Code of Federal Regulations, 2014 CFR

2014-07-01

... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate... indispensable in examinations conducted within the Department of Veterans Affairs. Muscle atrophy must also be...

38 CFR 4.46 - Accurate measurement.

Code of Federal Regulations, 2010 CFR

2010-07-01

... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate... indispensable in examinations conducted within the Department of Veterans Affairs. Muscle atrophy must also be...

38 CFR 4.46 - Accurate measurement.

Code of Federal Regulations, 2013 CFR

2013-07-01

... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate... indispensable in examinations conducted within the Department of Veterans Affairs. Muscle atrophy must also be...

38 CFR 4.46 - Accurate measurement.

Code of Federal Regulations, 2012 CFR

2012-07-01

... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate... indispensable in examinations conducted within the Department of Veterans Affairs. Muscle atrophy must also be...

[Experimental rationale for the parameters of a rapid method for oxidase activity determination].

PubMed

Butorina, N N

2010-01-01

Experimental rationale is provided for the parameters of a rapid (1-2-min) test to concurrently determine the oxidase activity of all bacteria grown on the membrane filter after water filtration. Oxidase reagents that are the aqueous solutions of tetramethyl-p-phenylenediamine dihydrochloride and demethyl-p-phenylenediamine dihydrochloride have been first ascertained to exert no effect on the viability and enzymatic activity of bacteria after one-hour contact. An algorithm has been improved for the rapid oxidase activity test: the allowable time for bacteria to contact oxidase reagents and procedures for minimizing the effect on bacterial biochemical activity following the contact. An accelerated method based on lactose medium with tergitol 7 and Endo agar has been devised to determine coliform bacteria, by applying the rapid oxidase test: the time of a final response is 18-24 hours. The method has been included into GOST 52426-2005.

WR 20a Is an Eclipsing Binary: Accurate Determination of Parameters for an Extremely Massive Wolf-Rayet System

NASA Astrophysics Data System (ADS)

Bonanos, A. Z.; Stanek, K. Z.; Udalski, A.; Wyrzykowski, L.; Żebruń, K.; Kubiak, M.; Szymański, M. K.; Szewczyk, O.; Pietrzyński, G.; Soszyński, I.

2004-08-01

We present a high-precision I-band light curve for the Wolf-Rayet binary WR 20a, obtained as a subproject of the Optical Gravitational Lensing Experiment. Rauw et al. have recently presented spectroscopy for this system, strongly suggesting extremely large minimum masses of 70.7+/-4.0 and 68.8+/-3.8 Msolar for the component stars of the system, with the exact values depending strongly on the period of the system. We detect deep eclipses of about 0.4 mag in the light curve of WR 20a, confirming and refining the suspected period of P=3.686 days and deriving an inclination angle of i=74.5d+/-2.0d. Using these photometric data and the radial velocity data of Rauw et al., we derive the masses for the two components of WR 20a to be 83.0+/-5.0 and 82.0+/-5.0 Msolar. Therefore, WR 20a is confirmed to consist of two extremely massive stars and to be the most massive binary known with an accurate mass determination. Based on observations obtained with the 1.3 m Warsaw telescope at Las Campanas Observatory, which is operated by the Carnegie Institute of Washington.

Experimentally determined isotope effect during Mg-Fe interdiffusion in olivine

NASA Astrophysics Data System (ADS)

Sio, C. K. I.; Roskosz, M.; Dauphas, N.; Bennett, N.; Mock, T. D.; Shahar, A.

2017-12-01

Isotopic fractionation provides the most direct means to investigate the nature of chemical zoning in minerals, which can be produced by either diffusive transport or crystal growth. Misinterpreting the nature of chemical zoning can result in erroneous conclusions regarding magmatic cooling rates and diffusion timescales. Isotopes are useful in this regard because the light isotopes diffuse faster than their heavier counterparts. As a result, isotopic fractionations should be associated with chemical zoning profiles if they are diffusion-driven. In contrast, little isotopic fractionation is associated with crystal growth during slow cooling at magmatic temperatures. The isotope effect for diffusion is described by β and is related to the mass (m) and diffusivity (D) of isotopes i and j of an element via: Di/Dj = (mj/mi)β. To model isotopic profiles, knowledge of β is required. Several estimates of β for Mg and Fe diffusion in olivine have been reported using natural samples but these estimates are uncertain because they depend on the choice of modeling parameters (Sio et al., 2013; Oeser et al., 2015; Collinet et al., 2017). We have experimentally determined β for Fe (βFe) in olivine as a function of crystallographic orientation, composition, and temperature. Thirty experiments have been conducted by juxtaposing crystallographically oriented olivine crystals to make Fo83.4-Fo88.8 and Fo88.8-Fo100 diffusion couples. These diffusion couples were annealed in a 1 atm gas mixing furnace at 1200 °C, 1300 °C or 1400 °C at QFM - 1.5 for up to 15 days. Chemical profiles were characterized using an electron microprobe and isotopic analyses were done using laser ablation MC-ICPMS. We found a crystallographic dependence of βFe for the Fo88.8-Fo100 couple where βFe [100] ≈ βFe [010] > βFe [001]. For the Fo83.4-Fo88.8 couple, βFe is 0.16 ± 0.09 (2σ) for all 3 major crystallographic axes. A temperature dependence of βFe could not be resolved. These

Experimental determination of turbulence in a GH2-GOX rocket combustion chamber

NASA Technical Reports Server (NTRS)

Tou, P.; Russell, R.; Ohara, J.

1974-01-01

The intensity of turbulence and the Lagrangian correlation coefficient for a gaseous rocket combustion chamber have been determined from the experimental measurements of the tracer gas diffusion. A combination of Taylor's turbulent diffusion theory and Spalding's numerical method for solving the conservation equations of fluid mechanics was used to calculate these quantities. Taylor's theory was extended to consider the inhomogeneity of the turbulence field in the axial direction of the combustion chamber. An exponential function was used to represent the Lagrangian correlation coefficient. The results indicate that the maximum value of the intensity of turbulence is about 15% and the Lagrangian correlation coefficient drops to about 0.12 in one inch of the chamber length.

Accurate Evaluation Method of Molecular Binding Affinity from Fluctuation Frequency

NASA Astrophysics Data System (ADS)

Hoshino, Tyuji; Iwamoto, Koji; Ode, Hirotaka; Ohdomari, Iwao

2008-05-01

Exact estimation of the molecular binding affinity is significantly important for drug discovery. The energy calculation is a direct method to compute the strength of the interaction between two molecules. This energetic approach is, however, not accurate enough to evaluate a slight difference in binding affinity when distinguishing a prospective substance from dozens of candidates for medicine. Hence more accurate estimation of drug efficacy in a computer is currently demanded. Previously we proposed a concept of estimating molecular binding affinity, focusing on the fluctuation at an interface between two molecules. The aim of this paper is to demonstrate the compatibility between the proposed computational technique and experimental measurements, through several examples for computer simulations of an association of human immunodeficiency virus type-1 (HIV-1) protease and its inhibitor (an example for a drug-enzyme binding), a complexation of an antigen and its antibody (an example for a protein-protein binding), and a combination of estrogen receptor and its ligand chemicals (an example for a ligand-receptor binding). The proposed affinity estimation has proven to be a promising technique in the advanced stage of the discovery and the design of drugs.

Improving Dose Determination Accuracy in Nonstandard Fields of the Varian TrueBeam Accelerator

NASA Astrophysics Data System (ADS)

Hyun, Megan A.

In recent years, the use of flattening-filter-free (FFF) linear accelerators in radiation-based cancer therapy has gained popularity, especially for hypofractionated treatments (high doses of radiation given in few sessions). However, significant challenges to accurate radiation dose determination remain. If physicists cannot accurately determine radiation dose in a clinical setting, cancer patients treated with these new machines will not receive safe, accurate and effective treatment. In this study, an extensive characterization of two commonly used clinical radiation detectors (ionization chambers and diodes) and several potential reference detectors (thermoluminescent dosimeters, plastic scintillation detectors, and alanine pellets) has been performed to investigate their use in these challenging, nonstandard fields. From this characterization, reference detectors were identified for multiple beam sizes, and correction factors were determined to improve dosimetric accuracy for ionization chambers and diodes. A validated computational (Monte Carlo) model of the TrueBeam(TM) accelerator, including FFF beam modes, was also used to calculate these correction factors, which compared favorably to measured results. Small-field corrections of up to 18 % were shown to be necessary for clinical detectors such as microionization chambers. Because the impact of these large effects on treatment delivery is not well known, a treatment planning study was completed using actual hypofractionated brain, spine, and lung treatments that were delivered at the UW Carbone Cancer Center. This study demonstrated that improperly applying these detector correction factors can have a substantial impact on patient treatments. This thesis work has taken important steps toward improving the accuracy of FFF dosimetry through rigorous experimentally and Monte-Carlo-determined correction factors, the validation of an important published protocol (TG-51) for use with FFF reference fields, and a

Experimentally Determined Binding Energies of Astrophysically Relevant Hydrocarbons in Pure and H2O-Layered Ices

NASA Astrophysics Data System (ADS)

Behmard, Aida; Graninger, Dawn; Fayolle, Edith; Oberg, Karin I.

2017-01-01

Small hydrocarbons represent an important organic reservoir in a variety of interstellar environments. Constraints on desorption temperatures and binding energies of hydrocarbons are thus necessary for accurate predictions of where and in which phase these molecules exist. Through a series of temperature programmed desorption experiments, we determined binding energies of 1, 2, and 3-carbon interstellar hydrocarbons (CH4, C2H2, C2H4, C2H6, C3H4, C3H6, and C3H8) in pure ices and in relation to water ice, the dominant ice constituent during star and planet formation. These empirically determined values can be used to inform observations and models of the molecular spatial distribution in protoplanetary disks, thus providing insight into planetesimal composition. In addition, knowledge of hydrocarbon binding energies will refine simulations of grain surface chemistry, allowing for better predictions of the chemical conditions that lead to the production of complex organic molecules vital for life.

Experimental Determination of Air Density Using a 1 kg Mass Comparator in Vacuum

NASA Astrophysics Data System (ADS)

Gläser, M.; Schwartz, R.; Mecke, M.

1991-01-01

The density of ambient air has been determined by a straightforward experimental method. The apparent masses of two artefacts having about the same mass and surface, but different well-known volumes, have been compared by using a 1 kg balance in vacuum and in air. The differences of apparent masses and volumes yield the air density with a relative uncertainty (1σ) of 5 × 10-5. From measurements made using a third artefact, surface sorption effects caused by the change between vacuum and air conditions gave a coefficient of about 0,2 μg cm-2.

Experimentally Determined Subsolidus Metal-Olivine Element Partitioning with Applications to Pallasites.

PubMed

Donohue, Patrick H; Hill, Eddy; Huss, Gary R

2018-02-01

Pallasite meteorites, which consist primarily of olivine and metal, may be remnants of disrupted core-mantle boundaries of differentiated asteroids or planetesimals. The early thermal histories of pallasites are potentially recorded by minor- and trace-element zonation in olivine. However, constraining this history requires knowledge of element behavior under the conditions of pallasite formation, which is lacking for many of the main elements of interest (e.g., Co, Cr, Mn). In this study, we experimentally determined metal/olivine partition coefficients for Fe, Ni, Co, Cr, and Mn in a pallasite analogue at subsolidus temperatures. Metal/olivine partition coefficients ( K M ) increase in the order K Mn < K Cr < 1 < K Fe < K Co < K Ni , with five orders of magnitude separating K Mn from K Ni . Transition metals also become more siderophile with increasing experimental temperature (900 to 1550°C). The experiments incidentally produced diffusion profiles in olivine for these elements; Our results suggest they diffuse through olivine at similar rates. Core compositions of pallasite olivines are consistent with high-temperature equilibration with FeNi-metal. Olivine zonation toward crystal rims varies significantly for the investigated transition metals. We suggest rim zonation results from partial re-equilibration during late stage crystallization of minor phases (e.g., chromite, phosphates). This re- equilibration occurred over short timescales relative to overall pallasite cooling, likely tied to initial cooling rates on the order of 100-300°C/Myr.

Accurate modeling of defects in graphene transport calculations

NASA Astrophysics Data System (ADS)

Linhart, Lukas; Burgdörfer, Joachim; Libisch, Florian

2018-01-01

We present an approach for embedding defect structures modeled by density functional theory into large-scale tight-binding simulations. We extract local tight-binding parameters for the vicinity of the defect site using Wannier functions. In the transition region between the bulk lattice and the defect the tight-binding parameters are continuously adjusted to approach the bulk limit far away from the defect. This embedding approach allows for an accurate high-level treatment of the defect orbitals using as many as ten nearest neighbors while keeping a small number of nearest neighbors in the bulk to render the overall computational cost reasonable. As an example of our approach, we consider an extended graphene lattice decorated with Stone-Wales defects, flower defects, double vacancies, or silicon substitutes. We predict distinct scattering patterns mirroring the defect symmetries and magnitude that should be experimentally accessible.

Bi-fluorescence imaging for estimating accurately the nuclear condition of Rhizoctonia spp.

USDA-ARS?s Scientific Manuscript database

Aims: To simplify the determination of the nuclear condition of the pathogenic Rhizoctonia, which currently needs to be performed either using two fluorescent dyes, thus is more costly and time-consuming, or using only one fluorescent dye, and thus less accurate. Methods and Results: A red primary ...

Accurate SHAPE-directed RNA secondary structure modeling, including pseudoknots.

PubMed

Hajdin, Christine E; Bellaousov, Stanislav; Huggins, Wayne; Leonard, Christopher W; Mathews, David H; Weeks, Kevin M

2013-04-02

A pseudoknot forms in an RNA when nucleotides in a loop pair with a region outside the helices that close the loop. Pseudoknots occur relatively rarely in RNA but are highly overrepresented in functionally critical motifs in large catalytic RNAs, in riboswitches, and in regulatory elements of viruses. Pseudoknots are usually excluded from RNA structure prediction algorithms. When included, these pairings are difficult to model accurately, especially in large RNAs, because allowing this structure dramatically increases the number of possible incorrect folds and because it is difficult to search the fold space for an optimal structure. We have developed a concise secondary structure modeling approach that combines SHAPE (selective 2'-hydroxyl acylation analyzed by primer extension) experimental chemical probing information and a simple, but robust, energy model for the entropic cost of single pseudoknot formation. Structures are predicted with iterative refinement, using a dynamic programming algorithm. This melded experimental and thermodynamic energy function predicted the secondary structures and the pseudoknots for a set of 21 challenging RNAs of known structure ranging in size from 34 to 530 nt. On average, 93% of known base pairs were predicted, and all pseudoknots in well-folded RNAs were identified.

Multimodal determination of Rayleigh dispersion and attenuation curves using the circle fit method

NASA Astrophysics Data System (ADS)

Verachtert, R.; Lombaert, G.; Degrande, G.

2018-03-01

This paper introduces the circle fit method for the determination of multi-modal Rayleigh dispersion and attenuation curves as part of a Multichannel Analysis of Surface Waves (MASW) experiment. The wave field is transformed to the frequency-wavenumber (fk) domain using a discretized Hankel transform. In a Nyquist plot of the fk-spectrum, displaying the imaginary part against the real part, the Rayleigh wave modes correspond to circles. The experimental Rayleigh dispersion and attenuation curves are derived from the angular sweep of the central angle of these circles. The method can also be applied to the analytical fk-spectrum of the Green's function of a layered half-space in order to compute dispersion and attenuation curves, as an alternative to solving an eigenvalue problem. A MASW experiment is subsequently simulated for a site with a regular velocity profile and a site with a soft layer trapped between two stiffer layers. The performance of the circle fit method to determine the dispersion and attenuation curves is compared with the peak picking method and the half-power bandwidth method. The circle fit method is found to be the most accurate and robust method for the determination of the dispersion curves. When determining attenuation curves, the circle fit method and half-power bandwidth method are accurate if the mode exhibits a sharp peak in the fk-spectrum. Furthermore, simulated and theoretical attenuation curves determined with the circle fit method agree very well. A similar correspondence is not obtained when using the half-power bandwidth method. Finally, the circle fit method is applied to measurement data obtained for a MASW experiment at a site in Heverlee, Belgium. In order to validate the soil profile obtained from the inversion procedure, force-velocity transfer functions were computed and found in good correspondence with the experimental transfer functions, especially in the frequency range between 5 and 80 Hz.

Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution

NASA Astrophysics Data System (ADS)

Greenwood, Jeremy R.; Calkins, David; Sullivan, Arron P.; Shelley, John C.

2010-06-01

Generating the appropriate protonation states of drug-like molecules in solution is important for success in both ligand- and structure-based virtual screening. Screening collections of millions of compounds requires a method for determining tautomers and their energies that is sufficiently rapid, accurate, and comprehensive. To maximise enrichment, the lowest energy tautomers must be determined from heterogeneous input, without over-enumerating unfavourable states. While computationally expensive, the density functional theory (DFT) method M06-2X/aug-cc-pVTZ(-f) [PB-SCRF] provides accurate energies for enumerated model tautomeric systems. The empirical Hammett-Taft methodology can very rapidly extrapolate substituent effects from model systems to drug-like molecules via the relationship between pKT and pKa. Combining the two complementary approaches transforms the tautomer problem from a scientific challenge to one of engineering scale-up, and avoids issues that arise due to the very limited number of measured pKT values, especially for the complicated heterocycles often favoured by medicinal chemists for their novelty and versatility. Several hundreds of pre-calculated tautomer energies and substituent pKa effects are tabulated in databases for use in structural adjustment by the program Epik, which treats tautomers as a subset of the larger problem of the protonation states in aqueous ensembles and their energy penalties. Accuracy and coverage is continually improved and expanded by parameterizing new systems of interest using DFT and experimental data. Recommendations are made for how to best incorporate tautomers in molecular design and virtual screening workflows.

Experimental determinations of the eigenmodes for composite bars made with carbon and Kevlar-carbon fibers

NASA Astrophysics Data System (ADS)

Miriţoiu, C. M.; Stănescu, M. M.; Burada, C. O.; Bolcu, D.; Roşca, V.

2015-11-01

For modal identification, the single-point excitation method has been widely used in modal tests and it consists in applying a force in a given point and recording the vibratory structure response in all interest points, including the excitation point. There will be presented the experimental recordings for the studied bars (with Kevlar-carbon or carbon fibers), the frequency response function in Cartesian and polar coordinates. By using the frequency response functions we determine the eigenparameters for each bar. We present the final panel of the eigenmodes (with the damping factors, eigenfrequencies and critical damping) for each considered bar. Using the eigenfrequency of the first determined eigenmode, the bars stiffness has been determined. The presented bars can be used in practical engineering for: car or bus body parts, planes body parts, bullet-proof vests, reinforcements for sandwich beams, and so on.

Determination of minor and trace elements concentration in kidney stones using elemental analysis techniques

NASA Astrophysics Data System (ADS)

Srivastava, Anjali

The determination of accurate material composition of a kidney stone is crucial for understanding the formation of the kidney stone as well as for preventive therapeutic strategies. Radiations probing instrumental activation analysis techniques are excellent tools for identification of involved materials present in the kidney stone. The X-ray fluorescence (XRF) and neutron activation analysis (NAA) experiments were performed and different kidney stones were analyzed. The interactions of X-ray photons and neutrons with matter are complementary in nature, resulting in distinctly different materials detection. This is the first approach to utilize combined X-ray fluorescence and neutron activation analysis for a comprehensive analysis of the kideny stones. Presently, experimental studies in conjunction with analytical techniques were used to determine the exact composition of the kidney stone. The use of open source program Python Multi-Channel Analyzer was utilized to unfold the XRF spectrum. A new type of experimental set-up was developed and utilized for XRF and NAA analysis of the kidney stone. To verify the experimental results with analytical calculation, several sets of kidney stones were analyzed using XRF and NAA technique. The elements which were identified from XRF technique are Br, Cu, Ga, Ge, Mo, Nb, Ni, Rb, Se, Sr, Y, Zr. And, by using Neutron Activation Analysis (NAA) are Au, Br, Ca, Er, Hg, I, K, Na, Pm, Sb, Sc, Sm, Tb, Yb, Zn. This thesis presents a new approach for exact detection of accurate material composition of kidney stone materials using XRF and NAA instrumental activation analysis techniques.

Method for Accurately Calibrating a Spectrometer Using Broadband Light

NASA Technical Reports Server (NTRS)

Simmons, Stephen; Youngquist, Robert

2011-01-01

A novel method has been developed for performing very fine calibration of a spectrometer. This process is particularly useful for modern miniature charge-coupled device (CCD) spectrometers where a typical factory wavelength calibration has been performed and a finer, more accurate calibration is desired. Typically, the factory calibration is done with a spectral line source that generates light at known wavelengths, allowing specific pixels in the CCD array to be assigned wavelength values. This method is good to about 1 nm across the spectrometer s wavelength range. This new method appears to be accurate to about 0.1 nm, a factor of ten improvement. White light is passed through an unbalanced Michelson interferometer, producing an optical signal with significant spectral variation. A simple theory can be developed to describe this spectral pattern, so by comparing the actual spectrometer output against this predicted pattern, errors in the wavelength assignment made by the spectrometer can be determined.

Experimental Observation of Bohr’s Nonlinear Fluidic Surface Oscillation

PubMed Central

Moon, Songky; Shin, Younghoon; Kwak, Hojeong; Yang, Juhee; Lee, Sang-Bum; Kim, Soyun; An, Kyungwon

2016-01-01

Niels Bohr in the early stage of his career developed a nonlinear theory of fluidic surface oscillation in order to study surface tension of liquids. His theory includes the nonlinear interaction between multipolar surface oscillation modes, surpassing the linear theory of Rayleigh and Lamb. It predicts a specific normalized magnitude of 0.416η2 for an octapolar component, nonlinearly induced by a quadrupolar one with a magnitude of η much less than unity. No experimental confirmation on this prediction has been reported. Nonetheless, accurate determination of multipolar components is important as in optical fiber spinning, film blowing and recently in optofluidic microcavities for ray and wave chaos studies and photonics applications. Here, we report experimental verification of his theory. By using optical forward diffraction, we measured the cross-sectional boundary profiles at extreme positions of a surface-oscillating liquid column ejected from a deformed microscopic orifice. We obtained a coefficient of 0.42 ± 0.08 consistently under various experimental conditions. We also measured the resonance mode spectrum of a two-dimensional cavity formed by the cross-sectional segment of the liquid jet. The observed spectra agree well with wave calculations assuming a coefficient of 0.414 ± 0.011. Our measurements establish the first experimental observation of Bohr’s hydrodynamic theory. PMID:26803911

Accurate Binding Free Energy Predictions in Fragment Optimization.

PubMed

Steinbrecher, Thomas B; Dahlgren, Markus; Cappel, Daniel; Lin, Teng; Wang, Lingle; Krilov, Goran; Abel, Robert; Friesner, Richard; Sherman, Woody

2015-11-23

Predicting protein-ligand binding free energies is a central aim of computational structure-based drug design (SBDD)--improved accuracy in binding free energy predictions could significantly reduce costs and accelerate project timelines in lead discovery and optimization. The recent development and validation of advanced free energy calculation methods represents a major step toward this goal. Accurately predicting the relative binding free energy changes of modifications to ligands is especially valuable in the field of fragment-based drug design, since fragment screens tend to deliver initial hits of low binding affinity that require multiple rounds of synthesis to gain the requisite potency for a project. In this study, we show that a free energy perturbation protocol, FEP+, which was previously validated on drug-like lead compounds, is suitable for the calculation of relative binding strengths of fragment-sized compounds as well. We study several pharmaceutically relevant targets with a total of more than 90 fragments and find that the FEP+ methodology, which uses explicit solvent molecular dynamics and physics-based scoring with no parameters adjusted, can accurately predict relative fragment binding affinities. The calculations afford R(2)-values on average greater than 0.5 compared to experimental data and RMS errors of ca. 1.1 kcal/mol overall, demonstrating significant improvements over the docking and MM-GBSA methods tested in this work and indicating that FEP+ has the requisite predictive power to impact fragment-based affinity optimization projects.

Experimental determination of the PTW 60019 microDiamond dosimeter active area and volume

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

Marinelli, Marco, E-mail: marco.marinelli@uniroma2

Purpose: Small field output correction factors have been studied by several research groups for the PTW 60019 microDiamond (MD) dosimeter, by comparing the response of such a device with both reference dosimeters and Monte Carlo simulations. A general good agreement is observed for field sizes down to about 1 cm. However, evident inconsistencies can be noticed when comparing some experimental results and Monte Carlo simulations obtained for smaller irradiation fields. This issue was tentatively attributed by some authors to unintentional large variations of the MD active surface area. The aim of the present study is a nondestructive experimental determination ofmore » the MD active surface area and active volume. Methods: Ten MD dosimeters, one MD prototype, and three synthetic diamond samples were investigated in the present work. 2D maps of the MD response were recorded under scanned soft x-ray microbeam irradiation, leading to an experimental determination of the device active surface area. Profiles of the device responses were measured as well. In order to evaluate the MD active volume, the thickness of the diamond sensing layer was independently evaluated by capacitance measurements and alpha particle detection experiments. The MD sensitivity, measured at the PTW calibration laboratory, was also used to calculate the device active volume thickness. Results: An average active surface area diameter of (2.19 ± 0.02) mm was evaluated by 2D maps and response profiles of all the MDs. Average active volume thicknesses of (1.01 ± 0.13) μm and (0.97 ± 0.14) μm were derived by capacitance and sensitivity measurements, respectively. The obtained results are well in agreement with the nominal values reported in the manufacturer dosimeter specifications. A homogeneous response was observed over the whole device active area. Besides the one from the device active volume, no contributions from other components of the housing nor from encapsulation materials were

An efficient and accurate 3D displacements tracking strategy for digital volume correlation

NASA Astrophysics Data System (ADS)

Pan, Bing; Wang, Bo; Wu, Dafang; Lubineau, Gilles

2014-07-01

Owing to its inherent computational complexity, practical implementation of digital volume correlation (DVC) for internal displacement and strain mapping faces important challenges in improving its computational efficiency. In this work, an efficient and accurate 3D displacement tracking strategy is proposed for fast DVC calculation. The efficiency advantage is achieved by using three improvements. First, to eliminate the need of updating Hessian matrix in each iteration, an efficient 3D inverse compositional Gauss-Newton (3D IC-GN) algorithm is introduced to replace existing forward additive algorithms for accurate sub-voxel displacement registration. Second, to ensure the 3D IC-GN algorithm that converges accurately and rapidly and avoid time-consuming integer-voxel displacement searching, a generalized reliability-guided displacement tracking strategy is designed to transfer accurate and complete initial guess of deformation for each calculation point from its computed neighbors. Third, to avoid the repeated computation of sub-voxel intensity interpolation coefficients, an interpolation coefficient lookup table is established for tricubic interpolation. The computational complexity of the proposed fast DVC and the existing typical DVC algorithms are first analyzed quantitatively according to necessary arithmetic operations. Then, numerical tests are performed to verify the performance of the fast DVC algorithm in terms of measurement accuracy and computational efficiency. The experimental results indicate that, compared with the existing DVC algorithm, the presented fast DVC algorithm produces similar precision and slightly higher accuracy at a substantially reduced computational cost.

Accurately determining direction of arrival by seismic array based on compressive sensing

NASA Astrophysics Data System (ADS)

Hu, J.; Zhang, H.; Yu, H.

2016-12-01

Seismic array analysis method plays an important role in detecting weak signals and determining their locations and rupturing process. In these applications, reliably estimating direction of arrival (DOA) for the seismic wave is very important. DOA is generally determined by the conventional beamforming method (CBM) [Rost et al, 2000]. However, for a fixed seismic array generally the resolution of CBM is poor in the case of low-frequency seismic signals, and in the case of high frequency seismic signals the CBM may produce many local peaks, making it difficult to pick the one corresponding to true DOA. In this study, we develop a new seismic array method based on compressive sensing (CS) to determine the DOA with high resolution for both low- and high-frequency seismic signals. The new method takes advantage of the space sparsity of the incoming wavefronts. The CS method has been successfully used to determine spatial and temporal earthquake rupturing distributions with seismic array [Yao et al, 2011;Yao et al, 2013;Yin 2016]. In this method, we first form the problem of solving the DOA as a L1-norm minimization problem. The measurement matrix for CS is constructed by dividing the slowness-angle domain into many grid nodes, which needs to satisfy restricted isometry property (RIP) for optimized reconstruction of the image. The L1-norm minimization is solved by the interior point method. We first test the CS-based DOA array determination method on synthetic data constructed based on Shanghai seismic array. Compared to the CBM, synthetic test for data without noise shows that the new method can determine the true DOA with a super-high resolution. In the case of multiple sources, the new method can easily separate multiple DOAs. When data are contaminated by noise at various levels, the CS method is stable when the noise amplitude is lower than the signal amplitude. We also test the CS method for the Wenchuan earthquake. For different arrays with different apertures

An eclipsing-binary distance to the Large Magellanic Cloud accurate to two per cent.

PubMed

Pietrzyński, G; Graczyk, D; Gieren, W; Thompson, I B; Pilecki, B; Udalski, A; Soszyński, I; Kozłowski, S; Konorski, P; Suchomska, K; Bono, G; Moroni, P G Prada; Villanova, S; Nardetto, N; Bresolin, F; Kudritzki, R P; Storm, J; Gallenne, A; Smolec, R; Minniti, D; Kubiak, M; Szymański, M K; Poleski, R; Wyrzykowski, L; Ulaczyk, K; Pietrukowicz, P; Górski, M; Karczmarek, P

2013-03-07

In the era of precision cosmology, it is essential to determine the Hubble constant to an accuracy of three per cent or better. At present, its uncertainty is dominated by the uncertainty in the distance to the Large Magellanic Cloud (LMC), which, being our second-closest galaxy, serves as the best anchor point for the cosmic distance scale. Observations of eclipsing binaries offer a unique opportunity to measure stellar parameters and distances precisely and accurately. The eclipsing-binary method was previously applied to the LMC, but the accuracy of the distance results was lessened by the need to model the bright, early-type systems used in those studies. Here we report determinations of the distances to eight long-period, late-type eclipsing systems in the LMC, composed of cool, giant stars. For these systems, we can accurately measure both the linear and the angular sizes of their components and avoid the most important problems related to the hot, early-type systems. The LMC distance that we derive from these systems (49.97 ± 0.19 (statistical) ± 1.11 (systematic) kiloparsecs) is accurate to 2.2 per cent and provides a firm base for a 3-per-cent determination of the Hubble constant, with prospects for improvement to 2 per cent in the future.

Efficient and accurate Greedy Search Methods for mining functional modules in protein interaction networks.

PubMed

He, Jieyue; Li, Chaojun; Ye, Baoliu; Zhong, Wei

2012-06-25

Most computational algorithms mainly focus on detecting highly connected subgraphs in PPI networks as protein complexes but ignore their inherent organization. Furthermore, many of these algorithms are computationally expensive. However, recent analysis indicates that experimentally detected protein complexes generally contain Core/attachment structures. In this paper, a Greedy Search Method based on Core-Attachment structure (GSM-CA) is proposed. The GSM-CA method detects densely connected regions in large protein-protein interaction networks based on the edge weight and two criteria for determining core nodes and attachment nodes. The GSM-CA method improves the prediction accuracy compared to other similar module detection approaches, however it is computationally expensive. Many module detection approaches are based on the traditional hierarchical methods, which is also computationally inefficient because the hierarchical tree structure produced by these approaches cannot provide adequate information to identify whether a network belongs to a module structure or not. In order to speed up the computational process, the Greedy Search Method based on Fast Clustering (GSM-FC) is proposed in this work. The edge weight based GSM-FC method uses a greedy procedure to traverse all edges just once to separate the network into the suitable set of modules. The proposed methods are applied to the protein interaction network of S. cerevisiae. Experimental results indicate that many significant functional modules are detected, most of which match the known complexes. Results also demonstrate that the GSM-FC algorithm is faster and more accurate as compared to other competing algorithms. Based on the new edge weight definition, the proposed algorithm takes advantages of the greedy search procedure to separate the network into the suitable set of modules. Experimental analysis shows that the identified modules are statistically significant. The algorithm can reduce the

Fragmentation Speed at Magmatic Temperatures: an Experimental Determination

NASA Astrophysics Data System (ADS)

Alatorre-Ibarguengoitia, M. A.; Scheu, B.; Dingwell, D. B.

2011-12-01

The propagation speed of the fragmentation front (fragmentation speed) is a controlling factor in the dynamics of explosive volcanic eruptions and can affect the eruptive regime. It is impossible to measure the fragmentation speed directly in natural systems. Thus, laboratory experiments using natural samples represent a unique source of information revealing the dynamics of fragmentation processes. Rapid decompression experiments of natural samples from several volcanoes allowed us to quantify the influence of sample porosity and pressure differential on the fragmentation speed. These previous experiments have been performed almost exclusively at temperatures up to 300 °C. Due to experimental constraints it is not possible to measure directly the fragmentation speed at magmatic temperatures using the same procedure as in the experiments up to moderate temperature. The magmatic temperature for the analyzed rock types varies typically between 700 - 900 °C, reflecting their moderate to high silica content. For this reason, the influence of the temperature on the fragmentation speed had not been investigated systematically. In order to determine the fragmentation speed at magmatic temperatures (700 - 900 °C), we performed rapid decompression experiments of volcanic rocks and measured with a high-speed camera the ejection speed at the front of the gas-particle mixture produced by fragmentation. Then we used a theoretical model based on a 1-D shock-tube theory considering the conservation laws across the fragmentation front that provides a relationship between the fragmentation speed and the ejection speed at the front of the gas-particle mixture. This model has been validated in fragmentation experiments at room temperature where the fragmentation and ejection speed were measured simultaneously. We investigated natural volcanic samples covering a broad range of connected porosity (16 - 65 vol. %) and applied pressures (4-20 MPa) at room temperature and up to 850 �

Accurate mode characterization of two-mode optical fibers by in-fiber acousto-optics.

PubMed

Alcusa-Sáez, E; Díez, A; Andrés, M V

2016-03-07

Acousto-optic interaction in optical fibers is exploited for the accurate and broadband characterization of two-mode optical fibers. Coupling between LP 01 and LP 1m modes is produced in a broadband wavelength range. Difference in effective indices, group indices, and chromatic dispersions between the guided modes, are obtained from experimental measurements. Additionally, we show that the technique is suitable to investigate the fine modes structure of LP modes, and some other intriguing features related with modes' cut-off.

Inverse Force Determination on a Small Scale Launch Vehicle Model Using a Dynamic Balance

NASA Technical Reports Server (NTRS)

Ngo, Christina L.; Powell, Jessica M.; Ross, James C.

2017-01-01

A launch vehicle can experience large unsteady aerodynamic forces in the transonic regime that, while usually only lasting for tens of seconds during launch, could be devastating if structural components and electronic hardware are not designed to account for them. These aerodynamic loads are difficult to experimentally measure and even harder to computationally estimate. The current method for estimating buffet loads is through the use of a few hundred unsteady pressure transducers and wind tunnel test. Even with a large number of point measurements, the computed integrated load is not an accurate enough representation of the total load caused by buffeting. This paper discusses an attempt at using a dynamic balance to experimentally determine buffet loads on a generic scale hammer head launch vehicle model tested at NASA Ames Research Center's 11' x 11' transonic wind tunnel. To use a dynamic balance, the structural characteristics of the model needed to be identified so that the natural modal response could be and removed from the aerodynamic forces. A finite element model was created on a simplified version of the model to evaluate the natural modes of the balance flexures, assist in model design, and to compare to experimental data. Several modal tests were conducted on the model in two different configurations to check for non-linearity, and to estimate the dynamic characteristics of the model. The experimental results were used in an inverse force determination technique with a psuedo inverse frequency response function. Due to the non linearity, the model not being axisymmetric, and inconsistent data between the two shake tests from different mounting configuration, it was difficult to create a frequency response matrix that satisfied all input and output conditions for wind tunnel configuration to accurately predict unsteady aerodynamic loads.

Bayesian parameter estimation of a k-ε model for accurate jet-in-crossflow simulations

DOE PAGES

Ray, Jaideep; Lefantzi, Sophia; Arunajatesan, Srinivasan; ...

2016-05-31

Reynolds-averaged Navier–Stokes models are not very accurate for high-Reynolds-number compressible jet-in-crossflow interactions. The inaccuracy arises from the use of inappropriate model parameters and model-form errors in the Reynolds-averaged Navier–Stokes model. In this study, the hypothesis is pursued that Reynolds-averaged Navier–Stokes predictions can be significantly improved by using parameters inferred from experimental measurements of a supersonic jet interacting with a transonic crossflow.

Impact of theoretical assumptions in the determination of the neutrino effective number from future CMB measurements

NASA Astrophysics Data System (ADS)

Capparelli, Ludovico; Di Valentino, Eleonora; Melchiorri, Alessandro; Chluba, Jens

2018-03-01

One of the major goals of future cosmic microwave background (CMB) measurements is the accurate determination of the effective number of neutrinos Neff. Reaching an experimental sensitivity of Δ Neff=0.013 could indeed falsify the presence of any nonstandard relativistic particles at 95% C.L. In this paper, we test how this future constraint can be affected by the removal of two common assumptions: a negligible running of the inflationary spectral index nrun and a precise determination of the neutron lifetime τn. We first show that the constraints on Neff could be significantly biased by the unaccounted presence of a running of the spectral index. Considering the Stage-IV experiment, a negative running of d n /d ln k =-0.002 could mimic a positive variation of Δ Neff=0.03 . Moreover, given the current discrepancies between experimental measurements of the neutron lifetime τn, we show that the assumption of a conservative error of Δ τn˜10 s could cause a systematic error of Δ Neff=0.02 . Complementary cosmological constraints on the running of the spectral index and a solution to the neutron lifetime discrepancy are therefore needed for an accurate and reliable future CMB bound of Neff at the percent level.

Accurate determination of the fine-structure intervals in the 3P ground states of C-13 and C-12 by far-infrared laser magnetic resonance

NASA Technical Reports Server (NTRS)

Cooksy, A. L.; Saykally, R. J.; Brown, J. M.; Evenson, K. M.

1986-01-01

Accurate values are presented for the fine-structure intervals in the 3P ground state of neutral atomic C-12 and C-13 as obtained from laser magnetic resonance spectroscopy. The rigorous analysis of C-13 hyperfine structure, the measurement of resonant fields for C-12 transitions at several additional far-infrared laser frequencies, and the increased precision of the C-12 measurements, permit significant improvement in the evaluation of these energies relative to earlier work. These results will expedite the direct and precise measurement of these transitions in interstellar sources and should assist in the determination of the interstellar C-12/C-13 abundance ratio.

Research on the Rapid and Accurate Positioning and Orientation Approach for Land Missile-Launching Vehicle

PubMed Central

Li, Kui; Wang, Lei; Lv, Yanhong; Gao, Pengyu; Song, Tianxiao

2015-01-01

Getting a land vehicle’s accurate position, azimuth and attitude rapidly is significant for vehicle based weapons’ combat effectiveness. In this paper, a new approach to acquire vehicle’s accurate position and orientation is proposed. It uses biaxial optical detection platform (BODP) to aim at and lock in no less than three pre-set cooperative targets, whose accurate positions are measured beforehand. Then, it calculates the vehicle’s accurate position, azimuth and attitudes by the rough position and orientation provided by vehicle based navigation systems and no less than three couples of azimuth and pitch angles measured by BODP. The proposed approach does not depend on Global Navigation Satellite System (GNSS), thus it is autonomous and difficult to interfere. Meanwhile, it only needs a rough position and orientation as algorithm’s iterative initial value, consequently, it does not have high performance requirement for Inertial Navigation System (INS), odometer and other vehicle based navigation systems, even in high precise applications. This paper described the system’s working procedure, presented theoretical deviation of the algorithm, and then verified its effectiveness through simulation and vehicle experiments. The simulation and experimental results indicate that the proposed approach can achieve positioning and orientation accuracy of 0.2 m and 20″ respectively in less than 3 min. PMID:26492249

Research on the rapid and accurate positioning and orientation approach for land missile-launching vehicle.

PubMed

Li, Kui; Wang, Lei; Lv, Yanhong; Gao, Pengyu; Song, Tianxiao

2015-10-20

Getting a land vehicle's accurate position, azimuth and attitude rapidly is significant for vehicle based weapons' combat effectiveness. In this paper, a new approach to acquire vehicle's accurate position and orientation is proposed. It uses biaxial optical detection platform (BODP) to aim at and lock in no less than three pre-set cooperative targets, whose accurate positions are measured beforehand. Then, it calculates the vehicle's accurate position, azimuth and attitudes by the rough position and orientation provided by vehicle based navigation systems and no less than three couples of azimuth and pitch angles measured by BODP. The proposed approach does not depend on Global Navigation Satellite System (GNSS), thus it is autonomous and difficult to interfere. Meanwhile, it only needs a rough position and orientation as algorithm's iterative initial value, consequently, it does not have high performance requirement for Inertial Navigation System (INS), odometer and other vehicle based navigation systems, even in high precise applications. This paper described the system's working procedure, presented theoretical deviation of the algorithm, and then verified its effectiveness through simulation and vehicle experiments. The simulation and experimental results indicate that the proposed approach can achieve positioning and orientation accuracy of 0.2 m and 20″ respectively in less than 3 min.

The experimental determination of the moments of inertia of airplanes by a simplified compound-pendulum method

NASA Technical Reports Server (NTRS)

Gracey, William

1948-01-01

A simplified compound-pendulum method for the experimental determination of the moments of inertia of airplanes about the x and y axes is described. The method is developed as a modification of the standard pendulum method reported previously in NACA report, NACA-467. A brief review of the older method is included to form a basis for discussion of the simplified method. (author)

Examining ERP correlates of recognition memory: Evidence of accurate source recognition without recollection

PubMed Central

Addante, Richard, J.; Ranganath, Charan; Yonelinas, Andrew, P.

2012-01-01

Recollection is typically associated with high recognition confidence and accurate source memory. However, subjects sometimes make accurate source memory judgments even for items that are not confidently recognized, and it is not known whether these responses are based on recollection or some other memory process. In the current study, we measured event related potentials (ERPs) while subjects made item and source memory confidence judgments in order to determine whether recollection supported accurate source recognition responses for items that were not confidently recognized. In line with previous studies, we found that recognition memory was associated with two ERP effects: an early on-setting FN400 effect, and a later parietal old-new effect [Late Positive Component (LPC)], which have been associated with familiarity and recollection, respectively. The FN400 increased gradually with item recognition confidence, whereas the LPC was only observed for highly confident recognition responses. The LPC was also related to source accuracy, but only for items that had received a high confidence item recognition response; accurate source judgments to items that were less confidently recognized did not exhibit the typical ERP correlate of recollection or familiarity, but rather showed a late, broadly distributed negative ERP difference. The results indicate that accurate source judgments of episodic context can occur even when recollection fails. PMID:22548808

Accurate prediction of cellular co-translational folding indicates proteins can switch from post- to co-translational folding

PubMed Central

Nissley, Daniel A.; Sharma, Ajeet K.; Ahmed, Nabeel; Friedrich, Ulrike A.; Kramer, Günter; Bukau, Bernd; O'Brien, Edward P.

2016-01-01

The rates at which domains fold and codons are translated are important factors in determining whether a nascent protein will co-translationally fold and function or misfold and malfunction. Here we develop a chemical kinetic model that calculates a protein domain's co-translational folding curve during synthesis using only the domain's bulk folding and unfolding rates and codon translation rates. We show that this model accurately predicts the course of co-translational folding measured in vivo for four different protein molecules. We then make predictions for a number of different proteins in yeast and find that synonymous codon substitutions, which change translation-elongation rates, can switch some protein domains from folding post-translationally to folding co-translationally—a result consistent with previous experimental studies. Our approach explains essential features of co-translational folding curves and predicts how varying the translation rate at different codon positions along a transcript's coding sequence affects this self-assembly process. PMID:26887592

Experimental determination of the x-ray atomic fundamental parameters of nickel

NASA Astrophysics Data System (ADS)

Ménesguen, Y.; Lépy, M.-C.; Hönicke, P.; Müller, M.; Unterumsberger, R.; Beckhoff, B.; Hoszowska, J.; Dousse, J.-Cl; Błachucki, W.; Ito, Y.; Yamashita, M.; Fukushima, S.

2018-02-01

The x-ray atomic properties of nickel (Ni) were investigated in a unique approach combining different experimental techniques to obtain new, useful and reliable values of atomic fundamental parameters for x-ray spectrometric purposes and for comparison with theoretical predictions. We determined the mass attenuation coefficients in an energy range covering the L- and K-absorption edges, the K-shell fluorescence yield and the Kβ/Kα and Kβ1, 3/Kα1, 2 transition probability ratios. The obtained line profiles and linewidths of the Kα and Kβ transitions in Ni can be considered as the contribution of the satellite lines arising from the [KM] shake processes suggested by Deutsch et al (1995 Phys. Rev. A 51 283) and Ito et al (2016 Phys. Rev. A 94 042506). Comparison of the new data with several databases showed good agreement, but also discrepancies were found with existing tabulated values.

Accurate Initial State Estimation in a Monocular Visual–Inertial SLAM System

PubMed Central

Chen, Jing; Zhou, Zixiang; Leng, Zhen; Fan, Lei

2018-01-01

The fusion of monocular visual and inertial cues has become popular in robotics, unmanned vehicles and augmented reality fields. Recent results have shown that optimization-based fusion strategies outperform filtering strategies. Robust state estimation is the core capability for optimization-based visual–inertial Simultaneous Localization and Mapping (SLAM) systems. As a result of the nonlinearity of visual–inertial systems, the performance heavily relies on the accuracy of initial values (visual scale, gravity, velocity and Inertial Measurement Unit (IMU) biases). Therefore, this paper aims to propose a more accurate initial state estimation method. On the basis of the known gravity magnitude, we propose an approach to refine the estimated gravity vector by optimizing the two-dimensional (2D) error state on its tangent space, then estimate the accelerometer bias separately, which is difficult to be distinguished under small rotation. Additionally, we propose an automatic termination criterion to determine when the initialization is successful. Once the initial state estimation converges, the initial estimated values are used to launch the nonlinear tightly coupled visual–inertial SLAM system. We have tested our approaches with the public EuRoC dataset. Experimental results show that the proposed methods can achieve good initial state estimation, the gravity refinement approach is able to efficiently speed up the convergence process of the estimated gravity vector, and the termination criterion performs well. PMID:29419751

Dynamic sensing model for accurate delectability of environmental phenomena using event wireless sensor network

NASA Astrophysics Data System (ADS)

Missif, Lial Raja; Kadhum, Mohammad M.

2017-09-01

Wireless Sensor Network (WSN) has been widely used for monitoring where sensors are deployed to operate independently to sense abnormal phenomena. Most of the proposed environmental monitoring systems are designed based on a predetermined sensing range which does not reflect the sensor reliability, event characteristics, and the environment conditions. Measuring of the capability of a sensor node to accurately detect an event within a sensing field is of great important for monitoring applications. This paper presents an efficient mechanism for even detection based on probabilistic sensing model. Different models have been presented theoretically in this paper to examine their adaptability and applicability to the real environment applications. The numerical results of the experimental evaluation have showed that the probabilistic sensing model provides accurate observation and delectability of an event, and it can be utilized for different environment scenarios.

A method to accurately estimate the muscular torques of human wearing exoskeletons by torque sensors.

PubMed

Hwang, Beomsoo; Jeon, Doyoung

2015-04-09

In exoskeletal robots, the quantification of the user's muscular effort is important to recognize the user's motion intentions and evaluate motor abilities. In this paper, we attempt to estimate users' muscular efforts accurately using joint torque sensor which contains the measurements of dynamic effect of human body such as the inertial, Coriolis, and gravitational torques as well as torque by active muscular effort. It is important to extract the dynamic effects of the user's limb accurately from the measured torque. The user's limb dynamics are formulated and a convenient method of identifying user-specific parameters is suggested for estimating the user's muscular torque in robotic exoskeletons. Experiments were carried out on a wheelchair-integrated lower limb exoskeleton, EXOwheel, which was equipped with torque sensors in the hip and knee joints. The proposed methods were evaluated by 10 healthy participants during body weight-supported gait training. The experimental results show that the torque sensors are to estimate the muscular torque accurately in cases of relaxed and activated muscle conditions.

A Method to Accurately Estimate the Muscular Torques of Human Wearing Exoskeletons by Torque Sensors

PubMed Central

Hwang, Beomsoo; Jeon, Doyoung

2015-01-01

In exoskeletal robots, the quantification of the user’s muscular effort is important to recognize the user’s motion intentions and evaluate motor abilities. In this paper, we attempt to estimate users’ muscular efforts accurately using joint torque sensor which contains the measurements of dynamic effect of human body such as the inertial, Coriolis, and gravitational torques as well as torque by active muscular effort. It is important to extract the dynamic effects of the user’s limb accurately from the measured torque. The user’s limb dynamics are formulated and a convenient method of identifying user-specific parameters is suggested for estimating the user’s muscular torque in robotic exoskeletons. Experiments were carried out on a wheelchair-integrated lower limb exoskeleton, EXOwheel, which was equipped with torque sensors in the hip and knee joints. The proposed methods were evaluated by 10 healthy participants during body weight-supported gait training. The experimental results show that the torque sensors are to estimate the muscular torque accurately in cases of relaxed and activated muscle conditions. PMID:25860074

Anchoring the Population II Distance Scale: Accurate Ages for Globular Clusters

NASA Technical Reports Server (NTRS)

Chaboyer, Brian C.; Chaboyer, Brian C.; Carney, Bruce W.; Latham, David W.; Dunca, Douglas; Grand, Terry; Layden, Andy; Sarajedini, Ataollah; McWilliam, Andrew; Shao, Michael

2004-01-01

The metal-poor stars in the halo of the Milky Way galaxy were among the first objects formed in our Galaxy. These Population II stars are the oldest objects in the universe whose ages can be accurately determined. Age determinations for these stars allow us to set a firm lower limit, to the age of the universe and to probe the early formation history of the Milky Way. The age of the universe determined from studies of Population II stars may be compared to the expansion age of the universe and used to constrain cosmological models. The largest uncertainty in estimates for the ages of stars in our halo is due to the uncertainty in the distance scale to Population II objects. We propose to obtain accurate parallaxes to a number of Population II objects (globular clusters and field stars in the halo) resulting in a significant improvement in the Population II distance scale and greatly reducing the uncertainty in the estimated ages of the oldest stars in our galaxy. At the present time, the oldest stars are estimated to be 12.8 Gyr old, with an uncertainty of approx. 15%. The SIM observations obtained by this key project, combined with the supporting theoretical research and ground based observations outlined in this proposal will reduce the estimated uncertainty in the age estimates to 5%).

Accurate simulations of helium pick-up experiments using a rejection-free Monte Carlo method

NASA Astrophysics Data System (ADS)

Dutra, Matthew; Hinde, Robert

2018-04-01

In this paper, we present Monte Carlo simulations of helium droplet pick-up experiments with the intention of developing a robust and accurate theoretical approach for interpreting experimental helium droplet calorimetry data. Our approach is capable of capturing the evaporative behavior of helium droplets following dopant acquisition, allowing for a more realistic description of the pick-up process. Furthermore, we circumvent the traditional assumption of bulk helium behavior by utilizing density functional calculations of the size-dependent helium droplet chemical potential. The results of this new Monte Carlo technique are compared to commonly used Poisson pick-up statistics for simulations that reflect a broad range of experimental parameters. We conclude by offering an assessment of both of these theoretical approaches in the context of our observed results.

The R-factor gap in macromolecular crystallography: an untapped potential for insights on accurate structures.

PubMed

Holton, James M; Classen, Scott; Frankel, Kenneth A; Tainer, John A

2014-09-01

In macromolecular crystallography, the agreement between observed and predicted structure factors (Rcryst and Rfree ) is seldom better than 20%. This is much larger than the estimate of experimental error (Rmerge ). The difference between Rcryst and Rmerge is the R-factor gap. There is no such gap in small-molecule crystallography, for which calculated structure factors are generally considered more accurate than the experimental measurements. Perhaps the true noise level of macromolecular data is higher than expected? Or is the gap caused by inaccurate phases that trap refined models in local minima? By generating simulated diffraction patterns using the program MLFSOM, and including every conceivable source of experimental error, we show that neither is the case. Processing our simulated data yielded values that were indistinguishable from those of real data for all crystallographic statistics except the final Rcryst and Rfree . These values decreased to 3.8% and 5.5% for simulated data, suggesting that the reason for high R-factors in macromolecular crystallography is neither experimental error nor phase bias, but rather an underlying inadequacy in the models used to explain our observations. The present inability to accurately represent the entire macromolecule with both its flexibility and its protein-solvent interface may be improved by synergies between small-angle X-ray scattering, computational chemistry and crystallography. The exciting implication of our finding is that macromolecular data contain substantial hidden and untapped potential to resolve ambiguities in the true nature of the nanoscale, a task that the second century of crystallography promises to fulfill. Coordinates and structure factors for the real data have been submitted to the Protein Data Bank under accession 4tws. © 2014 The Authors. FEBS Journal published by John Wiley & Sons Ltd on behalf of FEBS.

DETERMINING ION COMPOSITIONS USING AN ACCURATE MASS, TRIPLE QUADRUPOLE MASS SPECTROMETER

EPA Science Inventory

For the past decade, we have used double focusing mass spectrometers to determine
compositions of ions observed in mass spectra produced from compounds introduced by GC
based on measured exact masses of the ions and their +1 and +2 isotopic profiles arising from atoms of ...

Method and apparatus for accurately manipulating an object during microelectrophoresis

DOEpatents

Parvin, Bahram A.; Maestre, Marcos F.; Fish, Richard H.; Johnston, William E.

1997-01-01

An apparatus using electrophoresis provides accurate manipulation of an object on a microscope stage for further manipulations add reactions. The present invention also provides an inexpensive and easily accessible means to move an object without damage to the object. A plurality of electrodes are coupled to the stage in an array whereby the electrode array allows for distinct manipulations of the electric field for accurate manipulations of the object. There is an electrode array control coupled to the plurality of electrodes for manipulating the electric field. In an alternative embodiment, a chamber is provided on the stage to hold the object. The plurality of electrodes are positioned in the chamber, and the chamber is filled with fluid. The system can be automated using visual servoing, which manipulates the control parameters, i.e., x, y stage, applying the field, etc., after extracting the significant features directly from image data. Visual servoing includes an imaging device and computer system to determine the location of the object. A second stage having a plurality of tubes positioned on top of the second stage, can be accurately positioned by visual servoing so that one end of one of the plurality of tubes surrounds at least part of the object on the first stage.

Method and apparatus for accurately manipulating an object during microelectrophoresis

DOEpatents

Parvin, B.A.; Maestre, M.F.; Fish, R.H.; Johnston, W.E.

1997-09-23

An apparatus using electrophoresis provides accurate manipulation of an object on a microscope stage for further manipulations and reactions. The present invention also provides an inexpensive and easily accessible means to move an object without damage to the object. A plurality of electrodes are coupled to the stage in an array whereby the electrode array allows for distinct manipulations of the electric field for accurate manipulations of the object. There is an electrode array control coupled to the plurality of electrodes for manipulating the electric field. In an alternative embodiment, a chamber is provided on the stage to hold the object. The plurality of electrodes are positioned in the chamber, and the chamber is filled with fluid. The system can be automated using visual servoing, which manipulates the control parameters, i.e., x, y stage, applying the field, etc., after extracting the significant features directly from image data. Visual servoing includes an imaging device and computer system to determine the location of the object. A second stage having a plurality of tubes positioned on top of the second stage, can be accurately positioned by visual servoing so that one end of one of the plurality of tubes surrounds at least part of the object on the first stage. 11 figs.

Epoxy-paint stripping using TEA CO2 laser: Determination of threshold fluence and the process parameters

NASA Astrophysics Data System (ADS)

Kumar, Manoj; Bhargava, P.; Biswas, A. K.; Sahu, Shasikiran; Mandloi, V.; Ittoop, M. O.; Khattak, B. Q.; Tiwari, M. K.; Kukreja, L. M.

2013-03-01

It is shown that the threshold fluence for laser paint stripping can be accurately estimated from the heat of gasification and the absorption coefficient of the epoxy-paint. The threshold fluence determined experimentally by stripping of the epoxy-paint on a substrate using a TEA CO2 laser matches closely with the calculated value. The calculated threshold fluence and the measured absorption coefficient of the paint allowed us to determine the epoxy paint thickness that would be removed per pulse at a given laser fluence even without experimental trials. This was used to predict the optimum scan speed required to strip the epoxy-paint of a given thickness using a high average power TEA CO2 laser. Energy Dispersive X-Ray Fluorescence (EDXRF) studies were also carried out on laser paint-stripped concrete substrate to show high efficacy of this modality.

Learning accurate and concise naïve Bayes classifiers from attribute value taxonomies and data

PubMed Central

Kang, D.-K.; Silvescu, A.; Honavar, V.

2009-01-01

In many application domains, there is a need for learning algorithms that can effectively exploit attribute value taxonomies (AVT)—hierarchical groupings of attribute values—to learn compact, comprehensible and accurate classifiers from data—including data that are partially specified. This paper describes AVT-NBL, a natural generalization of the naïve Bayes learner (NBL), for learning classifiers from AVT and data. Our experimental results show that AVT-NBL is able to generate classifiers that are substantially more compact and more accurate than those produced by NBL on a broad range of data sets with different percentages of partially specified values. We also show that AVT-NBL is more efficient in its use of training data: AVT-NBL produces classifiers that outperform those produced by NBL using substantially fewer training examples. PMID:20351793

Determination of Soil Moisture Content using Laboratory Experimental and Field Electrical Resistivity Values

NASA Astrophysics Data System (ADS)

Hazreek, Z. A. M.; Rosli, S.; Fauziah, A.; Wijeyesekera, D. C.; Ashraf, M. I. M.; Faizal, T. B. M.; Kamarudin, A. F.; Rais, Y.; Dan, M. F. Md; Azhar, A. T. S.; Hafiz, Z. M.

2018-04-01

The efficiency of civil engineering structure require comprehensive geotechnical data obtained from site investigation. In the past, conventional site investigation was heavily related to drilling techniques thus suffer from several limitations such as time consuming, expensive and limited data collection. Consequently, this study presents determination of soil moisture content using laboratory experimental and field electrical resistivity values (ERV). Field and laboratory electrical resistivity (ER) test were performed using ABEM SAS4000 and Nilsson400 soil resistance meter. Soil sample used for resistivity test was tested for characterization test specifically on particle size distribution and moisture content test according to BS1377 (1990). Field ER data was processed using RES2DINV software while laboratory ER data was analyzed using SPSS and Excel software. Correlation of ERV and moisture content shows some medium relationship due to its r = 0.506. Moreover, coefficient of determination, R2 analyzed has demonstrate that the statistical correlation obtain was very good due to its R2 value of 0.9382. In order to determine soil moisture content based on statistical correlation (w = 110.68ρ-0.347), correction factor, C was established through laboratory and field ERV given as 19.27. Finally, this study has shown that soil basic geotechnical properties with particular reference to water content was applicably determined using integration of laboratory and field ERV data analysis thus able to compliment conventional approach due to its economic, fast and wider data coverage.

Experimental and computation study of liquid droplets impinging on an afterburner

NASA Astrophysics Data System (ADS)

Lavergne, G.; Hebrard, P.; Donnadille, Ph.

The actual development of three-dimensional computation codes of internal reactive flows in combustion chambers needs, for the liquid phase, accurate boundary conditions. A series of experiments was undertaken to identify and then to analyze physical phenomena occurring during spray transport and spray boundary interaction. The purpose of this paper is to investigate drop wall interaction, drop impingement, the liquid film, and the liquid flow rate captured by a flameholder. The experimental approach is divided in two parts: a parametric study on the captured fuel flow rate by a flameholder in an isothermal two-dimensional square facility, and a fundamental study of monosized droplet impingement on a hot plate to determine rebound criteria.

Substrate-Induced Formation of Ribosomal Decoding Center for Accurate and Rapid Genetic Code Translation.

PubMed

Pavlov, Michael Y; Ehrenberg, Måns

2018-05-20

Accurate translation of genetic information is crucial for synthesis of functional proteins in all organisms. We use recent experimental data to discuss how induced fit affects accuracy of initial codon selection on the ribosome by aminoacyl transfer RNA in ternary complex ( T 3 ) with elongation factor Tu (EF-Tu) and guanosine-5'-triphosphate (GTP). We define actual accuracy ([Formula: see text]) of a particular protein synthesis system as its current accuracy and the effective selectivity ([Formula: see text]) as [Formula: see text] in the limit of zero ribosomal binding affinity for T 3 . Intrinsic selectivity ([Formula: see text]), defined as the upper thermodynamic limit of [Formula: see text], is determined by the free energy difference between near-cognate and cognate T 3 in the pre-GTP hydrolysis state on the ribosome. [Formula: see text] is much larger than [Formula: see text], suggesting the possibility of a considerable increase in [Formula: see text] and [Formula: see text] at negligible kinetic cost. Induced fit increases [Formula: see text] and [Formula: see text] without affecting [Formula: see text], and aminoglycoside antibiotics reduce [Formula: see text] and [Formula: see text] at unaltered [Formula: see text].

Experimental determination of solvent-water partition coefficients and Abraham parameters for munition constituents.

PubMed

Liang, Yuzhen; Kuo, Dave T F; Allen, Herbert E; Di Toro, Dominic M

2016-10-01

There is concern about the environmental fate and effects of munition constituents (MCs). Polyparameter linear free energy relationships (pp-LFERs) that employ Abraham solute parameters can aid in evaluating the risk of MCs to the environment. However, poor predictions using pp-LFERs and ABSOLV estimated Abraham solute parameters are found for some key physico-chemical properties. In this work, the Abraham solute parameters are determined using experimental partition coefficients in various solvent-water systems. The compounds investigated include hexahydro-1,3,5-trinitro-1,3,5-triazacyclohexane (RDX), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX), hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX), hexahydro-1,3,5-trinitroso-1,3,5-triazine (TNX), hexahydro-1,3-dinitroso-5- nitro-1,3,5-triazine (DNX), 2,4,6-trinitrotoluene (TNT), 1,3,5-trinitrobenzene (TNB), and 4-nitroanisole. The solvents in the solvent-water systems are hexane, dichloromethane, trichloromethane, octanol, and toluene. The only available reported solvent-water partition coefficients are for octanol-water for some of the investigated compounds and they are in good agreement with the experimental measurements from this study. Solvent-water partition coefficients fitted using experimentally derived solute parameters from this study have significantly smaller root mean square errors (RMSE = 0.38) than predictions using ABSOLV estimated solute parameters (RMSE = 3.56) for the investigated compounds. Additionally, the predictions for various physico-chemical properties using the experimentally derived solute parameters agree with available literature reported values with prediction errors within 0.79 log units except for water solubility of RDX and HMX with errors of 1.48 and 2.16 log units respectively. However, predictions using ABSOLV estimated solute parameters have larger prediction errors of up to 7.68 log units. This large discrepancy is probably due to the missing R2NNO2

A Multiscale Red Blood Cell Model with Accurate Mechanics, Rheology, and Dynamics

PubMed Central

Fedosov, Dmitry A.; Caswell, Bruce; Karniadakis, George Em

2010-01-01

Abstract Red blood cells (RBCs) have highly deformable viscoelastic membranes exhibiting complex rheological response and rich hydrodynamic behavior governed by special elastic and bending properties and by the external/internal fluid and membrane viscosities. We present a multiscale RBC model that is able to predict RBC mechanics, rheology, and dynamics in agreement with experiments. Based on an analytic theory, the modeled membrane properties can be uniquely related to the experimentally established RBC macroscopic properties without any adjustment of parameters. The RBC linear and nonlinear elastic deformations match those obtained in optical-tweezers experiments. The rheological properties of the membrane are compared with those obtained in optical magnetic twisting cytometry, membrane thermal fluctuations, and creep followed by cell recovery. The dynamics of RBCs in shear and Poiseuille flows is tested against experiments and theoretical predictions, and the applicability of the latter is discussed. Our findings clearly indicate that a purely elastic model for the membrane cannot accurately represent the RBC's rheological properties and its dynamics, and therefore accurate modeling of a viscoelastic membrane is necessary. PMID:20483330

Lamb mode selection for accurate wall loss estimation via guided wave tomography

NASA Astrophysics Data System (ADS)

Huthwaite, P.; Ribichini, R.; Lowe, M. J. S.; Cawley, P.

2014-02-01

Guided wave tomography offers a method to accurately quantify wall thickness losses in pipes and vessels caused by corrosion. This is achieved using ultrasonic waves transmitted over distances of approximately 1-2m, which are measured by an array of transducers and then used to reconstruct a map of wall thickness throughout the inspected region. To achieve accurate estimations of remnant wall thickness, it is vital that a suitable Lamb mode is chosen. This paper presents a detailed evaluation of the fundamental modes, S0 and A0, which are of primary interest in guided wave tomography thickness estimates since the higher order modes do not exist at all thicknesses, to compare their performance using both numerical and experimental data while considering a range of challenging phenomena. The sensitivity of A0 to thickness variations was shown to be superior to S0, however, the attenuation from A0 when a liquid loading was present was much higher than S0. A0 was less sensitive to the presence of coatings on the surface of than S0.

Experimental Investigation of Gas/Slag/Matte/Tridymite Equilibria in the Cu-Fe-O-S-Si System in Controlled Gas Atmospheres: Experimental Results at 1473 K (1200 °C) and P(SO2) = 0.25 atm

NASA Astrophysics Data System (ADS)

Fallah-Mehrjardi, Ata; Hidayat, Taufiq; Hayes, Peter C.; Jak, Evgueni

2017-12-01

Experimental studies were undertaken to determine the gas/slag/matte/tridymite equilibria in the Cu-Fe-O-S-Si system at 1473 K (1200 °C), P(SO2) = 0.25 atm, and a range of P(O2)'s. The experimental methodology involved high-temperature equilibration using a substrate support technique in controlled gas atmospheres (CO/CO2/SO2/Ar), rapid quenching of equilibrium phases, followed by direct measurement of the chemical compositions of the phases with Electron Probe X-ray Microanalysis (EPMA). The experimental data for slag and matte were presented as a function of copper concentration in matte (matte grade). The data provided are essential for the evaluation of the effect of oxygen potential under controlled atmosphere on the matte grade, liquidus composition of slag and chemically dissolved copper in slag. The new data provide important accurate and reliable quantitative foundation for improvement of the thermodynamic databases for copper-containing systems.

Accurate Monitoring and Fault Detection in Wind Measuring Devices through Wireless Sensor Networks

PubMed Central

Khan, Komal Saifullah; Tariq, Muhammad

2014-01-01

Many wind energy projects report poor performance as low as 60% of the predicted performance. The reason for this is poor resource assessment and the use of new untested technologies and systems in remote locations. Predictions about the potential of an area for wind energy projects (through simulated models) may vary from the actual potential of the area. Hence, introducing accurate site assessment techniques will lead to accurate predictions of energy production from a particular area. We solve this problem by installing a Wireless Sensor Network (WSN) to periodically analyze the data from anemometers installed in that area. After comparative analysis of the acquired data, the anemometers transmit their readings through a WSN to the sink node for analysis. The sink node uses an iterative algorithm which sequentially detects any faulty anemometer and passes the details of the fault to the central system or main station. We apply the proposed technique in simulation as well as in practical implementation and study its accuracy by comparing the simulation results with experimental results to analyze the variation in the results obtained from both simulation model and implemented model. Simulation results show that the algorithm indicates faulty anemometers with high accuracy and low false alarm rate when as many as 25% of the anemometers become faulty. Experimental analysis shows that anemometers incorporating this solution are better assessed and performance level of implemented projects is increased above 86% of the simulated models. PMID:25421739

A fast and accurate frequency estimation algorithm for sinusoidal signal with harmonic components

NASA Astrophysics Data System (ADS)

Hu, Jinghua; Pan, Mengchun; Zeng, Zhidun; Hu, Jiafei; Chen, Dixiang; Tian, Wugang; Zhao, Jianqiang; Du, Qingfa

2016-10-01

Frequency estimation is a fundamental problem in many applications, such as traditional vibration measurement, power system supervision, and microelectromechanical system sensors control. In this paper, a fast and accurate frequency estimation algorithm is proposed to deal with low efficiency problem in traditional methods. The proposed algorithm consists of coarse and fine frequency estimation steps, and we demonstrate that it is more efficient than conventional searching methods to achieve coarse frequency estimation (location peak of FFT amplitude) by applying modified zero-crossing technique. Thus, the proposed estimation algorithm requires less hardware and software sources and can achieve even higher efficiency when the experimental data increase. Experimental results with modulated magnetic signal show that the root mean square error of frequency estimation is below 0.032 Hz with the proposed algorithm, which has lower computational complexity and better global performance than conventional frequency estimation methods.

Obtaining Accurate Probabilities Using Classifier Calibration

ERIC Educational Resources Information Center

Pakdaman Naeini, Mahdi

2016-01-01

Learning probabilistic classification and prediction models that generate accurate probabilities is essential in many prediction and decision-making tasks in machine learning and data mining. One way to achieve this goal is to post-process the output of classification models to obtain more accurate probabilities. These post-processing methods are…

Approaching system equilibrium with accurate or not accurate feedback information in a two-route system

NASA Astrophysics Data System (ADS)

Zhao, Xiao-mei; Xie, Dong-fan; Li, Qi

2015-02-01

With the development of intelligent transport system, advanced information feedback strategies have been developed to reduce traffic congestion and enhance the capacity. However, previous strategies provide accurate information to travelers and our simulation results show that accurate information brings negative effects, especially in delay case. Because travelers prefer to the best condition route with accurate information, and delayed information cannot reflect current traffic condition but past. Then travelers make wrong routing decisions, causing the decrease of the capacity and the increase of oscillations and the system deviating from the equilibrium. To avoid the negative effect, bounded rationality is taken into account by introducing a boundedly rational threshold BR. When difference between two routes is less than the BR, routes have equal probability to be chosen. The bounded rationality is helpful to improve the efficiency in terms of capacity, oscillation and the gap deviating from the system equilibrium.

Methods of experimentation with models and utilization of results

NASA Technical Reports Server (NTRS)

Robert,

1924-01-01

The present report treats the subject of testing small models in a wind tunnel and of the methods employed for rendering the results constant, accurate and comparable with one another. Detailed experimental results are given.

Accurate energy levels for singly ionized platinum (Pt II)

NASA Technical Reports Server (NTRS)

Reader, Joseph; Acquista, Nicolo; Sansonetti, Craig J.; Engleman, Rolf, Jr.

1988-01-01

New observations of the spectrum of Pt II have been made with hollow-cathode lamps. The region from 1032 to 4101 A was observed photographically with a 10.7-m normal-incidence spectrograph. The region from 2245 to 5223 A was observed with a Fourier-transform spectrometer. Wavelength measurements were made for 558 lines. The uncertainties vary from 0.0005 to 0.004 A. From these measurements and three parity-forbidden transitions in the infrared, accurate values were determined for 28 even and 72 odd energy levels of Pt II.

Precise Determination of the 1s Lamb Shift in Hydrogen-Like Lead and Gold Using Microcalorimeters

NASA Technical Reports Server (NTRS)

Kraft-Bermuth, S.; Andrianov, V.; Bleile, A.; Echler, A.; Egelhof, P.; Grabitz, P.; Ilieva, S.; Kiselev, O.; Kilbourne, C.; McCammon, D.;

Experimental determination of the phase boundary between kornelite and pentahydrated ferric sulfate at 0.1MPa

USGS Publications Warehouse

Kong, W.G.; Wang, A.; Chou, I.-Ming

2011-01-01

Recent findings of various ferric sulfates on Mars emphasize the importance of understanding the fundamental properties of ferric sulfates at temperatures relevant to that of Martian surface. In this study, the phase boundary between kornelite (Fe2(SO4)3.7H2O) and pentahydrated ferric sulfate (Fe2(SO4)3.5H2O) was experimentally determined using the humidity-buffer technique together with gravimetric measurements and Raman spectroscopy at 0.1MPa in the 36-56??C temperature range. Through the thermodynamic analysis of our experimental data, the enthalpy change (-290.8??0.3kJ/mol) and the Gibbs free energy change (-238.82??0.02kJ/mol) for each water molecule of crystallization in the rehydration of pentahydrated ferric sulfate to kornelite were obtained. ?? 2011 Elsevier B.V.

A Bayesian Approach for Determining Protein Side-Chain Rotamer Conformations Using Unassigned NOE Data

PubMed Central

Zeng, Jianyang; Roberts, Kyle E.; Zhou, Pei

2011-01-01

Abstract A major bottleneck in protein structure determination via nuclear magnetic resonance (NMR) is the lengthy and laborious process of assigning resonances and nuclear Overhauser effect (NOE) cross peaks. Recent studies have shown that accurate backbone folds can be determined using sparse NMR data, such as residual dipolar couplings (RDCs) or backbone chemical shifts. This opens a question of whether we can also determine the accurate protein side-chain conformations using sparse or unassigned NMR data. We attack this question by using unassigned nuclear Overhauser effect spectroscopy (NOESY) data, which records the through-space dipolar interactions between protons nearby in three-dimensional (3D) space. We propose a Bayesian approach with a Markov random field (MRF) model to integrate the likelihood function derived from observed experimental data, with prior information (i.e., empirical molecular mechanics energies) about the protein structures. We unify the side-chain structure prediction problem with the side-chain structure determination problem using unassigned NMR data, and apply the deterministic dead-end elimination (DEE) and A* search algorithms to provably find the global optimum solution that maximizes the posterior probability. We employ a Hausdorff-based measure to derive the likelihood of a rotamer or a pairwise rotamer interaction from unassigned NOESY data. In addition, we apply a systematic and rigorous approach to estimate the experimental noise in NMR data, which also determines the weighting factor of the data term in the scoring function derived from the Bayesian framework. We tested our approach on real NMR data of three proteins: the FF Domain 2 of human transcription elongation factor CA150 (FF2), the B1 domain of Protein G (GB1), and human ubiquitin. The promising results indicate that our algorithm can be applied in high-resolution protein structure determination. Since our approach does not require any NOE assignment, it can

Accurate determination of 3-alkyl-2-methoxypyrazines in wines by gas chromatography quadrupole time-of-flight tandem mass spectrometry following solid-phase extraction and dispersive liquid-liquid microextraction.

PubMed

Fontana, Ariel; Rodríguez, Isaac; Cela, Rafael

2017-09-15

A new reliable method for the determination 3-alkyl-2-methoxypyrazines (MPs) in wine samples based on the sequential combination of solid-phase extraction (SPE), dispersive liquid-liquid microextraction (DLLME) and gas chromatography (GC) quadrupole time-of-flight accurate tandem mass spectrometry (QTOF-MS/MS) is presented. Primary extraction of target analytes was carried out by using a reversed-phase Oasis HLB (200mg) SPE cartridge combined with acetonitrile as elution solvent. Afterwards, the SPE extract was submitted to DLLME concentration using 0.06mL carbon tetrachloride (CCl 4 ) as extractant. Under final working conditions, sample concentration factors above 379 times and limits of quantification (LOQs) between 0.3 and 2.1ngL -1 were achieved. Moreover, the overall extraction efficiency of the method was unaffected by the particular characteristics of each wine; thus, accurate results (relative recoveries from 84 to 108% for samples spiked at concentrations from 5 to 25ngL -1 ) were obtained using matrix-matched standards, without using standard additions over every sample. Highly selective chromatographic records were achieved considering a mass window of 5mDa, centered in the quantification product ion corresponding to each compound. Twelve commercial wines, elaborated with grapes from different varieties and geographical origins, were processed with the optimized method. The 2-isobutyl-3-methoxypyrazine (IBMP) was determined at levels above the LOQs of the method in half of the samples. Copyright © 2017 Elsevier B.V. All rights reserved.

Use of an inertial navigation system for accurate track recovery and coastal oceanographic measurements

NASA Technical Reports Server (NTRS)

Oliver, B. M.; Gower, J. F. R.

1977-01-01

A data acquisition system using a Litton LTN-51 inertial navigation unit (INU) was tested and used for aircraft track recovery and for location and tracking from the air of targets at sea. The characteristic position drift of the INU is compensated for by sighting landmarks of accurately known position at discrete time intervals using a visual sighting system in the transparent nose of the Beechcraft 18 aircraft used. For an aircraft altitude of about 300 m, theoretical and experimental tests indicate that calculated aircraft and/or target positions obtained from the interpolated INU drift curve will be accurate to within 10 m for landmarks spaced approximately every 15 minutes in time. For applications in coastal oceanography, such as surface current mapping by tracking artificial targets, the system allows a broad area to be covered without use of high altitude photography and its attendant needs for large targets and clear weather.

Experimental Determination of Aerodynamic Damping in a Three-Stage Transonic Axial-Flow Compressor. Degree awarded by Case Western Reserve Univ.

NASA Technical Reports Server (NTRS)

Newman, Frederick A.

1988-01-01

Rotor blade aerodynamic damping is experimentally determined in a three-stage transonic axial flow compressor having design aerodynamic performance goals of 4.5:1 pressure ratio and 65.5 lbm/sec weight flow. The combined damping associated with each mode is determined by a least squares fit of a single degree of freedom system transfer function to the nonsynchronous portion of the rotor blade strain gauge output power spectra. The combined damping consists of aerodynamic and structural and mechanical damping. The aerodynamic damping varies linearly with the inlet total pressure for a given equivalent speed, equivalent mass flow, and pressure ratio while structural and mechanical damping are assumed to be constant. The combined damping is determined at three inlet total pressure levels to obtain the aerodynamic damping. The third stage rotor blade aerodynamic damping is presented and discussed for 70, 80, 90, and 100 percent design equivalent speed. The compressor overall performance and experimental Campbell diagrams for the third stage rotor blade row are also presented.

Accurate double many-body expansion potential energy surface for the 2(1)A' state of N2O.

PubMed

Li, Jing; Varandas, António J C

2014-08-28

An accurate double many-body expansion potential energy surface is reported for the 2(1)A' state of N2O. The new double many-body expansion (DMBE) form has been fitted to a wealth of ab initio points that have been calculated at the multi-reference configuration interaction level using the full-valence-complete-active-space wave function as reference and the cc-pVQZ basis set, and subsequently corrected semiempirically via double many-body expansion-scaled external correlation method to extrapolate the calculated energies to the limit of a complete basis set and, most importantly, the limit of an infinite configuration interaction expansion. The topographical features of the novel potential energy surface are then examined in detail and compared with corresponding attributes of other potential functions available in the literature. Exploratory trajectories have also been run on this DMBE form with the quasiclassical trajectory method, with the thermal rate constant so determined at room temperature significantly enhancing agreement with experimental data.

A rapid and accurate method for determining protein content in dairy products based on asynchronous-injection alternating merging zone flow-injection spectrophotometry.

PubMed

Liang, Qin-Qin; Li, Yong-Sheng

2013-12-01

An accurate and rapid method and a system to determine protein content using asynchronous-injection alternating merging zone flow-injection spectrophotometry based on reaction between coomassie brilliant blue G250 (CBBG) and protein was established. Main merit of our approach is that it can avoid interferences of other nitric-compounds in samples, such as melamine and urea. Optimized conditions are as follows: Concentrations of CBBG, polyvinyl alcohol (PVA), NaCl and HCl are 150 mg/l, 30 mg/l, 0.1 mol/l and 1.0% (v/v), respectively; volumes of the sample and reagent are 150 μl and 30 μl, respectively; length of a reaction coil is 200 cm; total flow rate is 2.65 ml/min. The linear range of the method is 0.5-15 mg/l (BSA), its detection limit is 0.05 mg/l, relative standard deviation is less than 1.87% (n=11), and analytical speed is 60 samples per hour. Copyright © 2013 Elsevier Ltd. All rights reserved.

An experimental, theoretical and event-driven computational study of narrow vibrofluidised granular materials

NASA Astrophysics Data System (ADS)

Thornton, Anthony; Windows-Yule, Kit; Parker, David; Luding, Stefan

2017-06-01

We review simulations, experiments and a theoretical treatment of vertically vibrated granular media. The systems considered are confined in narrow quasi-two-dimensional and quasi-one-dimensional (column) geometries, where the vertical extension of the container is much larger than one or both horizontal lengths. The additional geometric constraint present in the column setup frustrates the convection state that is normally observed in wider geometries. We start by showing that the Event Driven (ED) simulation method is able to accurately reproduce the previously experimentally determined phase-diagram for vibrofludised granular materials. We then review two papers that used ED simulations to study narrow quasi-one-dimensional systems revealing a new phenomenon: collective oscillations of the grains with a characteristic frequency that is much lower than the frequency of energy injection. Theoretical work was then undertaken that is able to accurately predict the frequency of such an oscillation and Positron Emission Particle Tracking (PEPT) experiments were undertaken to provide the first experimental evidence of this new phenomenon. Finally, we briefly discuss ongoing work to create an open-source version of this ED via its integration in the existing open-source package MercuryDPM (http://MercuryDPM.org); which has many advanced features that are not found in other codes.

Accurate positioning based on acoustic and optical sensors

NASA Astrophysics Data System (ADS)

Cai, Kerong; Deng, Jiahao; Guo, Hualing

2009-11-01

Unattended laser target designator (ULTD) was designed to partly take the place of conventional LTDs for accurate positioning and laser marking. Analyzed the precision, accuracy and errors of acoustic sensor array, the requirements of laser generator, and the technology of image analysis and tracking, the major system modules were determined. The target's classification, velocity and position can be measured by sensors, and then coded laser beam will be emitted intelligently to mark the excellent position at the excellent time. The conclusion shows that, ULTD can not only avoid security threats, be deployed massively, and accomplish battle damage assessment (BDA), but also be fit for information-based warfare.

Computational and experimental study of laminar flames

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

Smooke, Mitchell

During the past three years, our research has centered on an investigation of the effects of complex chemistry and detailed transport on the structure and extinction of hydrocarbon flames in coflowing axisymmetric configurations. We have pursued both computational and experimental aspects of the research in parallel on both steady-state and time-dependent systems. The computational work has focused on the application of accurate and efficient numerical methods for the solution of the steady-state and time-dependent boundary value problems describing the various reacting systems. Detailed experimental measurements were performed on axisymmetric coflow flames using two-dimensional imaging techniques. Previously, spontaneous Raman scattering, chemiluminescence,more » and laser-induced fluorescence were used to measure the temperature, major and minor species profiles. Particle image velocimetry (PIV) has been used to investigate velocity distributions and for calibration of time-varying flames. Laser-induced incandescence (LII) with an extinction calibration was used to determine soot volume fractions, while soot surface temperatures were measured with three-color optical pyrometry using a color digital camera. A blackbody calibration of the camera allows for determination of soot volume fraction as well, which can be compared with the LII measurements. More recently, we have concentrated on a detailed characterization of soot using a variety of techniques including time-resolved LII (TiRe-LII) for soot primary particles sizes, multi-angle light scattering (MALS) for soot radius of gyration, and spectrally-resolved line of sight attenuation (spec-LOSA). Combining the information from all of these soot measurements can be used to determine the soot optical properties, which are observed to vary significantly depending on spatial location and fuel dilution. Our goal has been to obtain a more fundamental understanding of the important fluid dynamic and chemical

Hydrogen atoms can be located accurately and precisely by x-ray crystallography.

PubMed

Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M; Woźniak, Krzysztof; Jayatilaka, Dylan

2016-05-01

Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A-H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A-H bond lengths with those from neutron measurements for A-H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors.

Hydrogen atoms can be located accurately and precisely by x-ray crystallography

PubMed Central

Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M.; Woźniak, Krzysztof; Jayatilaka, Dylan

2016-01-01

Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A–H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A–H bond lengths with those from neutron measurements for A–H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors. PMID:27386545

Determination of Thermal Conductivity of Silicate Matrix for Applications in Effective Media Theory

NASA Astrophysics Data System (ADS)

Fiala, Lukáš; Jerman, Miloš; Reiterman, Pavel; Černý, Robert

2018-02-01

Silicate materials have an irreplaceable role in the construction industry. They are mainly represented by cement-based- or lime-based materials, such as concrete, cement mortar, or lime plaster, and consist of three phases: the solid matrix and air and water present in the pores. Therefore, their effective thermal conductivity depends on thermal conductivities of the involved phases. Due to the time-consuming experimental determination of the effective thermal conductivity, its calculation by means of homogenization techniques presents a reasonable alternative. In the homogenization theory, both volumetric content and particular property of each phase need to be identified. For porous materials the most problematic part is to accurately identify thermal conductivity of the solid matrix. Due to the complex composition of silicate materials, the thermal conductivity of the matrix can be determined only approximately, based on the knowledge of thermal conductivities of its major compounds. In this paper, the thermal conductivity of silicate matrix is determined using the measurement of a sufficiently large set of experimental data. Cement pastes with different open porosities are prepared, dried, and their effective thermal conductivity is determined using a transient heat-pulse method. The thermal conductivity of the matrix is calculated by means of extrapolation of the effective thermal conductivity versus porosity functions to zero porosity. Its practical applicability is demonstrated by calculating the effective thermal conductivity of a three-phase silicate material and comparing it with experimental data.

Computational and experimental characterization of a pyrrolidinium-based ionic liquid for electrolyte applications

NASA Astrophysics Data System (ADS)

Torabifard, Hedieh; Reed, Luke; Berry, Matthew T.; Hein, Jason E.; Menke, Erik; Cisneros, G. Andrés

2017-10-01

The development of Li-ion batteries for energy storage has received significant attention. The synthesis and characterization of electrolytes in these batteries are an important component of this development. Ionic liquids (ILs) have been proposed as possible electrolytes in these devices. Thus, the accurate determination of thermophysical properties for these solvents becomes important for determining their applicability as electrolytes. In this contribution, we present the synthesis and experimental/computational characterization of thermodynamic and transport properties of a pyrrolidinium based ionic liquid as a first step to investigate the possible applicability of this class of ILs for Li-ion batteries. A quantum mechanical-based force field with many-body polarizable interactions has been developed for the simulation of spirocyclic pyrrolidinium, [sPyr+], with BF4- and Li+. Molecular dynamics calculations employing intra-molecular polarization predicted larger heat of vaporization and self-diffusion coefficients and smaller densities in comparison with the model without intra-molecular polarization, indicating that the inclusion of this term can significantly effect the inter-ionic interactions. The calculated properties are in good agreement with available experimental data for similar IL pairs and isothermal titration calorimetry data for [sPyr+][BF4-].

Recent Experimental Advances to Determine (noble) Gases in Waters

NASA Astrophysics Data System (ADS)

Kipfer, R.; Brennwald, M. S.; Huxol, S.; Mächler, L.; Maden, C.; Vogel, N.; Tomonaga, Y.

2013-12-01

In aquatic systems noble gases, radon, and bio-geochemically conservative transient trace gases (SF6, CFCs) are frequently applied to determine water residence times and to reconstruct past environmental and climatic conditions. Recent experimental breakthroughs now enable ● to apply the well-established concepts of terrestrial noble gas geochemistry in waters to the minute water amounts stored in sediment pore space and in fluid inclusions (A), ● to determine gas exchange processes on the bio-geochemical relevant time scales of minutes - hours (B), and ● to separate diffusive and advective gas transport in soil air (C). A. Noble-gas analysis in water samples (< 1 g) facilitates determining the solute transport in the pore space and identifying the origin of bio- and geogenic fluids in (un) consolidated sediments [1]. Advanced techniques that combine crushing and sieving speleothem samples in ultra-high-vacuum to a specific grain size allow to separate air and water-bearing fluid inclusions and thus enables noble-gas-based reconstruction of environmental conditions from water masses as small as 1mg [2]. B. The coupling of noble gas analysis with approaches of gas chromatography permits combined analysis of noble gases and other gases species (e.g., SF6, CFCs, O2, N2) from a single water sample. The new method substantially improves ground water dating by SF6 and CFCs as excess air is quantified from the same sample and hence can adequately be corrected for [3]. Portable membrane-inlet mass spectrometers enable the quasi-continuous and real-time analysis of noble gases and other dissolved gases directly in the field, allowing, for instance, quantification of O2 turnover rates on small time scales [4]. C. New technical developments perfect 222Rn analysis in water by the synchronous the determination of the short-lived 220Rn. The combined 220,222Rn analysis sheds light on the emanation behaviour of radon by identifying soil water content to be the crucial

Development of Star Tracker System for Accurate Estimation of Spacecraft Attitude

DTIC Science & Technology

2009-12-01

For a high- cost spacecraft with accurate pointing requirements, the use of a star tracker is the preferred method for attitude determination. The...solutions, however there are certain costs with using this algorithm. There are significantly more features a triangle can provide when compared to an...to the other. The non-rotating geocentric equatorial frame provides an inertial frame for the two-body problem of a satellite in orbit. In this

Conceptual model and experimental framework to determine the contributions of direct and indirect photoreactions to the solar disinfection of MS2, phiX174, and adenovirus.

PubMed

Mattle, Michael J; Vione, Davide; Kohn, Tamar

2015-01-06

Sunlight inactivates waterborne viruses via direct (absorption of sunlight by the virus) and indirect processes (adsorption of sunlight by external chromophores, which subsequently generate reactive species). While the mechanisms underlying these processes are understood, their relative importance remains unclear. This study establishes an experimental framework to determine the kinetic parameters associated with a virus' susceptibility to solar disinfection and proposes a model to estimate disinfection rates and to apportion the contributions of different inactivation processes. Quantum yields of direct inactivation were determined for three viruses (MS2, phiX174, and adenovirus), and second-order rate constants associated with indirect inactivation by four reactive species ((1)O2, OH(•), CO3(•-), and triplet states) were established. PhiX174 exhibited the greatest quantum yield (1.4 × 10(-2)), indicating that it is more susceptible to direct inactivation than MS2 (2.9 × 10(-3)) or adenovirus (2.5 × 10(-4)). Second-order rate constants ranged from 1.7 × 10(7) to 7.0 × 10(9) M(-1) s(-1) and followed the sequence MS2 > adenovirus > phiX174. A predictive model based on these parameters accurately estimated solar disinfection of MS2 and phiX174 in a natural water sample and approximated that of adenovirus within a factor of 6. Inactivation mostly occurred by direct processes, though indirect inactivation by (1)O2 also contributed to the disinfection of MS2 and adenovirus.

Accurate determination of brain metabolite concentrations using ERETIC as external reference.

PubMed

Zoelch, Niklaus; Hock, Andreas; Heinzer-Schweizer, Susanne; Avdievitch, Nikolai; Henning, Anke

2017-08-01

Magnetic Resonance Spectroscopy (MRS) can provide in vivo metabolite concentrations in standard concentration units if a reliable reference signal is available. For 1 H MRS in the human brain, typically the signal from the tissue water is used as the (internal) reference signal. However, a concentration determination based on the tissue water signal most often requires a reliable estimate of the water concentration present in the investigated tissue. Especially in clinically interesting cases, this estimation might be difficult. To avoid assumptions about the water in the investigated tissue, the Electric REference To access In vivo Concentrations (ERETIC) method has been proposed. In this approach, the metabolite signal is compared with a reference signal acquired in a phantom and potential coil-loading differences are corrected using a synthetic reference signal. The aim of this study, conducted with a transceiver quadrature head coil, was to increase the accuracy of the ERETIC method by correcting the influence of spatial B 1 inhomogeneities and to simplify the quantification with ERETIC by incorporating an automatic phase correction for the ERETIC signal. Transmit field ( B1+) differences are minimized with a volume-selective power optimization, whereas reception sensitivity changes are corrected using contrast-minimized images of the brain and by adapting the voxel location in the phantom measurement closely to the position measured in vivo. By applying the proposed B 1 correction scheme, the mean metabolite concentrations determined with ERETIC in 21 healthy subjects at three different positions agree with concentrations derived with the tissue water signal as reference. In addition, brain water concentrations determined with ERETIC were in agreement with estimations derived using tissue segmentation and literature values for relative water densities. Based on the results, the ERETIC method presented here is a valid tool to derive in vivo metabolite

Network topology and parameter estimation: from experimental design methods to gene regulatory network kinetics using a community based approach

PubMed Central

2014-01-01

Background Accurate estimation of parameters of biochemical models is required to characterize the dynamics of molecular processes. This problem is intimately linked to identifying the most informative experiments for accomplishing such tasks. While significant progress has been made, effective experimental strategies for parameter identification and for distinguishing among alternative network topologies remain unclear. We approached these questions in an unbiased manner using a unique community-based approach in the context of the DREAM initiative (Dialogue for Reverse Engineering Assessment of Methods). We created an in silico test framework under which participants could probe a network with hidden parameters by requesting a range of experimental assays; results of these experiments were simulated according to a model of network dynamics only partially revealed to participants. Results We proposed two challenges; in the first, participants were given the topology and underlying biochemical structure of a 9-gene regulatory network and were asked to determine its parameter values. In the second challenge, participants were given an incomplete topology with 11 genes and asked to find three missing links in the model. In both challenges, a budget was provided to buy experimental data generated in silico with the model and mimicking the features of different common experimental techniques, such as microarrays and fluorescence microscopy. Data could be bought at any stage, allowing participants to implement an iterative loop of experiments and computation. Conclusions A total of 19 teams participated in this competition. The results suggest that the combination of state-of-the-art parameter estimation and a varied set of experimental methods using a few datasets, mostly fluorescence imaging data, can accurately determine parameters of biochemical models of gene regulation. However, the task is considerably more difficult if the gene network topology is not completely

Obtaining accurate amounts of mercury from mercury compounds via electrolytic methods

DOEpatents

Grossman, Mark W.; George, William A.

1987-01-01

A process for obtaining pre-determined, accurate rate amounts of mercury. In one embodiment, predetermined, precise amounts of Hg are separated from HgO and plated onto a cathode wire. The method for doing this involves dissolving a precise amount of HgO which corresponds to a pre-determined amount of Hg desired in an electrolyte solution comprised of glacial acetic acid and H.sub.2 O. The mercuric ions are then electrolytically reduced and plated onto a cathode producing the required pre-determined quantity of Hg. In another embodiment, pre-determined, precise amounts of Hg are obtained from Hg.sub.2 Cl.sub.2. The method for doing this involves dissolving a precise amount of Hg.sub.2 Cl.sub.2 in an electrolyte solution comprised of concentrated HCl and H.sub.2 O. The mercurous ions in solution are then electrolytically reduced and plated onto a cathode wire producing the required, pre-determined quantity of Hg.