Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics.

Science.gov (United States)

Vaniya, Arpana; Fiehn, Oliver

2015-06-01

Identification of unknown metabolites is the bottleneck in advancing metabolomics, leaving interpretation of metabolomics results ambiguous. The chemical diversity of metabolism is vast, making structure identification arduous and time consuming. Currently, comprehensive analysis of mass spectra in metabolomics is limited to library matching, but tandem mass spectral libraries are small compared to the large number of compounds found in the biosphere, including xenobiotics. Resolving this bottleneck requires richer data acquisition and better computational tools. Multi-stage mass spectrometry (MSn) trees show promise to aid in this regard. Fragmentation trees explore the fragmentation process, generate fragmentation rules and aid in sub-structure identification, while mass spectral trees delineate the dependencies in multi-stage MS of collision-induced dissociations. This review covers advancements over the past 10 years as a tool for metabolite identification, including algorithms, software and databases used to build and to implement fragmentation trees and mass spectral annotations.

Archiving Spectral Libraries in the Planetary Data System

Science.gov (United States)

Slavney, S.; Guinness, E. A.; Scholes, D.; Zastrow, A.

2017-12-01

Spectral libraries are becoming popular candidates for archiving in PDS. With the increase in the number of individual investigators funded by programs such as NASA's PDART, the PDS Geosciences Node is receiving many requests for support from proposers wishing to archive various forms of laboratory spectra. To accommodate the need for a standardized approach to archiving spectra, the Geosciences Node has designed the PDS Spectral Library Data Dictionary, which contains PDS4 classes and attributes specifically for labeling spectral data, including a classification scheme for samples. The Reflectance Experiment Laboratory (RELAB) at Brown University, which has long been a provider of spectroscopy equipment and services to the science community, has provided expert input into the design of the dictionary. Together the Geosciences Node and RELAB are preparing the whole of the RELAB Spectral Library, consisting of many thousands of spectra collected over the years, to be archived in PDS. An online interface for searching, displaying, and downloading selected spectra is planned, using the Spectral Library metadata recorded in the PDS labels. The data dictionary and online interface will be extended to include spectral libraries submitted by other data providers. The Spectral Library Data Dictionary is now available from PDS at https://pds.nasa.gov/pds4/schema/released/. It can be used in PDS4 labels for reflectance spectra as well as for Raman, XRF, XRD, LIBS, and other types of spectra. Ancillary data such as images, chemistry, and abundance data are also supported. To help generate PDS4-compliant labels for spectra, the Geosciences Node provides a label generation program called MakeLabels (http://pds-geosciences.wustl.edu/tools/makelabels.html) which creates labels from a template, and which can be used for any kind of PDS4 label. For information, contact the Geosciences Node at geosci@wunder.wustl.edu.

Identification of Leishmania by Matrix-Assisted Laser Desorption Ionization-Time of Flight (MALDI-TOF) Mass Spectrometry Using a Free Web-Based Application and a Dedicated Mass-Spectral Library.

Science.gov (United States)

Lachaud, Laurence; Fernández-Arévalo, Anna; Normand, Anne-Cécile; Lami, Patrick; Nabet, Cécile; Donnadieu, Jean Luc; Piarroux, Martine; Djenad, Farid; Cassagne, Carole; Ravel, Christophe; Tebar, Silvia; Llovet, Teresa; Blanchet, Denis; Demar, Magalie; Harrat, Zoubir; Aoun, Karim; Bastien, Patrick; Muñoz, Carmen; Gállego, Montserrat; Piarroux, Renaud

2017-10-01

Human leishmaniases are widespread diseases with different clinical forms caused by about 20 species within the Leishmania genus. Leishmania species identification is relevant for therapeutic management and prognosis, especially for cutaneous and mucocutaneous forms. Several methods are available to identify Leishmania species from culture, but they have not been standardized for the majority of the currently described species, with the exception of multilocus enzyme electrophoresis. Moreover, these techniques are expensive, time-consuming, and not available in all laboratories. Within the last decade, mass spectrometry (MS) has been adapted for the identification of microorganisms, including Leishmania However, no commercial reference mass-spectral database is available. In this study, a reference mass-spectral library (MSL) for Leishmania isolates, accessible through a free Web-based application (mass-spectral identification [MSI]), was constructed and tested. It includes mass-spectral data for 33 different Leishmania species, including species that infect humans, animals, and phlebotomine vectors. Four laboratories on two continents evaluated the performance of MSI using 268 samples, 231 of which were Leishmania strains. All Leishmania strains, but one, were correctly identified at least to the complex level. A risk of species misidentification within the Leishmania donovani , L. guyanensis , and L. braziliensis complexes was observed, as previously reported for other techniques. The tested application was reliable, with identification results being comparable to those obtained with reference methods but with a more favorable cost-efficiency ratio. This free online identification system relies on a scalable database and can be implemented directly in users' computers. Copyright © 2017 American Society for Microbiology.

The Infrared Telescope Facility (IRTF) Spectral Library: Cool Stars

Science.gov (United States)

Rayner, John T.; Cushing, Michael C.; Vacca, William D.

2009-12-01

We present a 0.8-5 μm spectral library of 210 cool stars observed at a resolving power of R ≡ λ/Δλ ~ 2000 with the medium-resolution infrared spectrograph, SpeX, at the 3.0 m NASA Infrared Telescope Facility (IRTF) on Mauna Kea, Hawaii. The stars have well-established MK spectral classifications and are mostly restricted to near-solar metallicities. The sample not only contains the F, G, K, and M spectral types with luminosity classes between I and V, but also includes some AGB, carbon, and S stars. In contrast to some other spectral libraries, the continuum shape of the spectra is measured and preserved in the data reduction process. The spectra are absolutely flux calibrated using the Two Micron All Sky Survey photometry. Potential uses of the library include studying the physics of cool stars, classifying and studying embedded young clusters and optically obscured regions of the Galaxy, evolutionary population synthesis to study unresolved stellar populations in optically obscured regions of galaxies and synthetic photometry. The library is available in digital form from the IRTF Web site.

Predicting Soil Organic Carbon at Field Scale Using a National Soil Spectral Library

DEFF Research Database (Denmark)

Peng, Yi; Knadel, Maria; Gislum, René

2013-01-01

and the spectral library, 2718 samples) and (iii) three sub-sets selected from the spectral library. In an attempt to improve prediction accuracy, sub-sets of the soil spectral library were made using three different sample selection methods: those geographically closest (84 samples), those with the same landscape......Visible and near infrared diffuse reflectance (vis-NIR) spectroscopy is a low-cost, efficient and accurate soil analysis technique and is thus becoming increasingly popular. Soil spectral libraries are commonly constructed as the basis for estimating soil texture and properties. In this study......, partial least squares regression was used to develop models to predict the soil organic carbon (SOC) content of 35 soil samples from one field using (i) the Danish soil spectral library (2688 samples), (ii) a spiked spectral library (a combination of 30 samples selected from the local area...

A Spectral Emissivity Library of Spoil Substrates

Czech Academy of Sciences Publication Activity Database

Pivovarník, Marek; Pikl, Miroslav; Frouz, J.; Zemek, František; Kopačková, V.; Notesco, G.; Ben Dor, E.

2016-01-01

Roč. 1, č. 2 (2016) E-ISSN 2306-5729 R&D Projects: GA MŠk(CZ) LO1415 Institutional support: RVO:86652079 Keywords : post-mining sites * spectral emissivity * spectral library * spoil substrates Subject RIV: EH - Ecology, Behaviour OBOR OECD: Environmental sciences (social aspects to be 5.7)

THE INFRARED TELESCOPE FACILITY (IRTF) SPECTRAL LIBRARY: COOL STARS

International Nuclear Information System (INIS)

Rayner, John T.; Cushing, Michael C.; Vacca, William D.

2009-01-01

We present a 0.8-5 μm spectral library of 210 cool stars observed at a resolving power of R ≡ λ/Δλ ∼ 2000 with the medium-resolution infrared spectrograph, SpeX, at the 3.0 m NASA Infrared Telescope Facility (IRTF) on Mauna Kea, Hawaii. The stars have well-established MK spectral classifications and are mostly restricted to near-solar metallicities. The sample not only contains the F, G, K, and M spectral types with luminosity classes between I and V, but also includes some AGB, carbon, and S stars. In contrast to some other spectral libraries, the continuum shape of the spectra is measured and preserved in the data reduction process. The spectra are absolutely flux calibrated using the Two Micron All Sky Survey photometry. Potential uses of the library include studying the physics of cool stars, classifying and studying embedded young clusters and optically obscured regions of the Galaxy, evolutionary population synthesis to study unresolved stellar populations in optically obscured regions of galaxies and synthetic photometry. The library is available in digital form from the IRTF Web site.

Database and Library Development of Organic Species using Gas Chromatography and Mass Spectral Measurements in Support of the Mars Science Laboratory

Science.gov (United States)

Garcia, Raul; Mahaffy, Paul; Misra, Prabhakar

2010-02-01

Our work involves the development of an organic contaminants database that will allow us to determine which compounds are found here on Earth and would be inadvertently detected in the Mars soil and gaseous samples as impurities. It will be used for the Sample Analysis at Mars (SAM) instrumentation analysis in the Mars Science Laboratory (MSL) rover scheduled for launch in 2011. In order to develop a comprehensive target database, we utilize the NIST Mass Spectral Library, Automated Mass Spectral Deconvolution and Identification System (AMDIS) and Ion Fingerprint Deconvolution (IFD) software to analyze the GC-MS data. We have analyzed data from commercial samples, such as paint and polymers, which have not been implemented into the rover and are now analyzing actual data from pyrolyzation on the rover. We have successfully developed an initial target compound database that will aid SAM in determining whether the components being analyzed come from Mars or are contaminants from either the rover itself or the Earth environment and are continuing to make improvements and adding data to the target contaminants database. )

Computational analyses of spectral trees from electrospray multi-stage mass spectrometry to aid metabolite identification.

Science.gov (United States)

Cao, Mingshu; Fraser, Karl; Rasmussen, Susanne

2013-10-31

Mass spectrometry coupled with chromatography has become the major technical platform in metabolomics. Aided by peak detection algorithms, the detected signals are characterized by mass-over-charge ratio (m/z) and retention time. Chemical identities often remain elusive for the majority of the signals. Multi-stage mass spectrometry based on electrospray ionization (ESI) allows collision-induced dissociation (CID) fragmentation of selected precursor ions. These fragment ions can assist in structural inference for metabolites of low molecular weight. Computational investigations of fragmentation spectra have increasingly received attention in metabolomics and various public databases house such data. We have developed an R package "iontree" that can capture, store and analyze MS2 and MS3 mass spectral data from high throughput metabolomics experiments. The package includes functions for ion tree construction, an algorithm (distMS2) for MS2 spectral comparison, and tools for building platform-independent ion tree (MS2/MS3) libraries. We have demonstrated the utilization of the package for the systematic analysis and annotation of fragmentation spectra collected in various metabolomics platforms, including direct infusion mass spectrometry, and liquid chromatography coupled with either low resolution or high resolution mass spectrometry. Assisted by the developed computational tools, we have demonstrated that spectral trees can provide informative evidence complementary to retention time and accurate mass to aid with annotating unknown peaks. These experimental spectral trees once subjected to a quality control process, can be used for querying public MS2 databases or de novo interpretation. The putatively annotated spectral trees can be readily incorporated into reference libraries for routine identification of metabolites.

The X-shooter Spectral Library and Carbon stars

NARCIS (Netherlands)

Gonneau, A.; Lançon, A.; Trager, S. C.; Chen, Y.; Peletier, R.; Aringer, B.; Nowotny, W.; Cambrésy, L.; Martins, F.; Nuss, E.; Palacios, A.

2013-01-01

Until recently, most empirical stellar spectral libraries were limited to a certain wavelength range or combined data from different stars, taken by different instruments of which some have low spectral resolution, limiting for instance our ability to analyze galaxies jointly in the ultraviolet, the

Towards Spectral Library-free MALDI-TOF MS Bacterial Identification.

Science.gov (United States)

Cheng, Ding; Qiao, Liang; Horvatovich, Péter

2018-05-11

Bacterial identification is of great importance in clinical diagnosis, environmental monitoring and food safety control. Among various strategies, matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) has drawn significant interests, and has been clinically used. Nevertheless, current bioinformatics solutions use spectral libraries for the identification of bacterial strains. Spectral library generation requires acquisition of MALDI-TOF spectra from monoculture bacterial colonies, which is time-consuming and not possible for many species and strains. We propose a strategy for bacterial typing by MALDI-TOF using protein sequences from public database, i.e. UniProt. Ten genes were identified to encode proteins most often observed by MALD-TOF from bacteria through 500 times repeated a 10-fold double cross-validation procedure, using 403 MALDI-TOF spectra corresponding to 14 genera, 81 species and 403 strains, and the protein sequences of 1276 species in UniProt. The 10 genes were then used to annotate peaks on MALDI-TOF spectra of bacteria for bacterial identification. With the approach, bacteria can be identified at the genus level by searching against a database containing the protein sequences of 42 genera of bacteria from UniProt. Our approach identified 84.1% of the 403 spectra correctly at the genus level. Source code of the algorithm is available at https://github.com/dipcarbon/BacteriaMSLF.

Hunting for unexpected post-translational modifications by spectral library searching with tier-wise scoring.

Science.gov (United States)

Ma, Chun Wai Manson; Lam, Henry

2014-05-02

Discovering novel post-translational modifications (PTMs) to proteins and detecting specific modification sites on proteins is one of the last frontiers of proteomics. At present, hunting for post-translational modifications remains challenging in widely practiced shotgun proteomics workflows due to the typically low abundance of modified peptides and the greatly inflated search space as more potential mass shifts are considered by the search engines. Moreover, most popular search methods require that the user specifies the modification(s) for which to search; therefore, unexpected and novel PTMs will not be detected. Here a new algorithm is proposed to apply spectral library searching to the problem of open modification searches, namely, hunting for PTMs without prior knowledge of what PTMs are in the sample. The proposed tier-wise scoring method intelligently looks for unexpected PTMs by allowing mass-shifted peak matches but only when the number of matches found is deemed statistically significant. This allows the search engine to search for unexpected modifications while maintaining its ability to identify unmodified peptides effectively at the same time. The utility of the method is demonstrated using three different data sets, in which the numbers of spectrum identifications to both unmodified and modified peptides were substantially increased relative to a regular spectral library search as well as to another open modification spectral search method, pMatch.

Precision Stellar Characterization of FGKM Stars using an Empirical Spectral Library

Science.gov (United States)

Yee, Samuel W.; Petigura, Erik A.; von Braun, Kaspar

2017-02-01

Classification of stars, by comparing their optical spectra to a few dozen spectral standards, has been a workhorse of observational astronomy for more than a century. Here, we extend this technique by compiling a library of optical spectra of 404 touchstone stars observed with Keck/HIRES by the California Planet Search. The spectra have high resolution (R ≈ 60,000), high signal-to-noise ratio (S/N ≈ 150/pixel), and are registered onto a common wavelength scale. The library stars have properties derived from interferometry, asteroseismology, LTE spectral synthesis, and spectrophotometry. To address a lack of well-characterized late-K dwarfs in the literature, we measure stellar radii and temperatures for 23 nearby K dwarfs, using modeling of the spectral energy distribution and Gaia parallaxes. This library represents a uniform data set spanning the spectral types ˜M5-F1 (T eff ≈ 3000-7000 K, R ⋆ ≈ 0.1-16 R ⊙). We also present “Empirical SpecMatch” (SpecMatch-Emp), a tool for parameterizing unknown spectra by comparing them against our spectral library. For FGKM stars, SpecMatch-Emp achieves accuracies of 100 K in effective temperature (T eff), 15% in stellar radius (R ⋆), and 0.09 dex in metallicity ([Fe/H]). Because the code relies on empirical spectra it performs particularly well for stars ˜K4 and later, which are challenging to model with existing spectral synthesizers, reaching accuracies of 70 K in T eff, 10% in R ⋆, and 0.12 dex in [Fe/H]. We also validate the performance of SpecMatch-Emp, finding it to be robust at lower spectral resolution and S/N, enabling the characterization of faint late-type stars. Both the library and stellar characterization code are publicly available.

Precision Stellar Characterization of FGKM Stars using an Empirical Spectral Library

Energy Technology Data Exchange (ETDEWEB)

Yee, Samuel W.; Petigura, Erik A. [California Institute of Technology (United States); Von Braun, Kaspar, E-mail: syee@caltech.edu [Lowell Observatory, 1400 W. Mars Hill Road, Flagstaff, AZ 86001 (United States)

2017-02-10

Classification of stars, by comparing their optical spectra to a few dozen spectral standards, has been a workhorse of observational astronomy for more than a century. Here, we extend this technique by compiling a library of optical spectra of 404 touchstone stars observed with Keck/HIRES by the California Planet Search. The spectra have high resolution ( R ≈ 60,000), high signal-to-noise ratio (S/N ≈ 150/pixel), and are registered onto a common wavelength scale. The library stars have properties derived from interferometry, asteroseismology, LTE spectral synthesis, and spectrophotometry. To address a lack of well-characterized late-K dwarfs in the literature, we measure stellar radii and temperatures for 23 nearby K dwarfs, using modeling of the spectral energy distribution and Gaia parallaxes. This library represents a uniform data set spanning the spectral types ∼M5–F1 ( T {sub eff} ≈ 3000–7000 K, R {sub ⋆} ≈ 0.1–16 R {sub ⊙}). We also present “Empirical SpecMatch” (SpecMatch-Emp), a tool for parameterizing unknown spectra by comparing them against our spectral library. For FGKM stars, SpecMatch-Emp achieves accuracies of 100 K in effective temperature ( T {sub eff}), 15% in stellar radius ( R {sub ⋆}), and 0.09 dex in metallicity ([Fe/H]). Because the code relies on empirical spectra it performs particularly well for stars ∼K4 and later, which are challenging to model with existing spectral synthesizers, reaching accuracies of 70 K in T {sub eff}, 10% in R {sub ⋆}, and 0.12 dex in [Fe/H]. We also validate the performance of SpecMatch-Emp, finding it to be robust at lower spectral resolution and S/N, enabling the characterization of faint late-type stars. Both the library and stellar characterization code are publicly available.

PECAN: library-free peptide detection for data-independent acquisition tandem mass spectrometry data

Energy Technology Data Exchange (ETDEWEB)

Ting, Ying S.; Egertson, Jarrett D.; Bollinger, James G.; Searle, Brian C.; Payne, Samuel H.; Noble, William Stafford; MacCoss, Michael J.

2017-08-07

Data-independent acquisition (DIA) is an emerging mass spectrometry (MS)-based technique for unbiased and reproducible measurement of protein mixtures. DIA tandem mass spectrometry spectra are often highly multiplexed, containing product ions from multiple cofragmenting precursors. Detecting peptides directly from DIA data is therefore challenging; most DIA data analyses require spectral libraries. Here we present PECECAN (http://pecan.maccosslab.org), a library-free, peptide-centric tool that robustly and accurately detects peptides directly from DIA data. PECECAN reports evidence of detection based on product ion scoring, which enables detection of low-abundance analytes with poor precursor ion signal. We demonstrate the chromatographic peak picking accuracy and peptide detection capability of PECECAN, and we further validate its detection with data-dependent acquisition and targeted analyses. Lastly, we used PECECAN to build a plasma proteome library from DIA data and to query known sequence variants.

Electron-energy-loss spectral library and its application to materials science

Energy Technology Data Exchange (ETDEWEB)

Zaluzec, N.J.

1983-09-01

An electron energy loss spectral library can be an invaluable tool in materials research from a fundamental as well as a practical standpoint. Although it will not alleviate all the complications associated with quantification, this type of library can help to elucidate details of spectral profiles previously found intractable. This work was supported by the US Department of Energy. The author also wishes to express his gratitude to the organizing committee for partial financial support provided to attend this meeting.

Hyperspectral imaging of polymer banknotes for building and analysis of spectral library

Science.gov (United States)

Lim, Hoong-Ta; Murukeshan, Vadakke Matham

2017-11-01

The use of counterfeit banknotes increases crime rates and cripples the economy. New countermeasures are required to stop counterfeiters who use advancing technologies with criminal intent. Many countries started adopting polymer banknotes to replace paper notes, as polymer notes are more durable and have better quality. The research on authenticating such banknotes is of much interest to the forensic investigators. Hyperspectral imaging can be employed to build a spectral library of polymer notes, which can then be used for classification to authenticate these notes. This is however not widely reported and has become a research interest in forensic identification. This paper focuses on the use of hyperspectral imaging on polymer notes to build spectral libraries, using a pushbroom hyperspectral imager which has been previously reported. As an initial study, a spectral library will be built from three arbitrarily chosen regions of interest of five circulated genuine polymer notes. Principal component analysis is used for dimension reduction and to convert the information in the spectral library to principal components. A 99% confidence ellipse is formed around the cluster of principal component scores of each class and then used as classification criteria. The potential of the adopted methodology is demonstrated by the classification of the imaged regions as training samples.

A Spectral Library of Emissivity Spectra for MERTIS on BepiColombo

Science.gov (United States)

Maturilli, A.; Helbert, J.; Varatharajan, I.; D'Amore, M.; Hiesinger, H.

2018-05-01

At PSL we measured emissivity spectra in vacuum for a suite of Mercury surface analogues for temperatures from 100°C to >400°C. The spectral library is completed by reflectance on samples fresh and post-heating (0.2 to 200 µm spectral range).

Spectral unmixing of urban land cover using a generic library approach

Science.gov (United States)

Degerickx, Jeroen; Lordache, Marian-Daniel; Okujeni, Akpona; Hermy, Martin; van der Linden, Sebastian; Somers, Ben

2016-10-01

Remote sensing based land cover classification in urban areas generally requires the use of subpixel classification algorithms to take into account the high spatial heterogeneity. These spectral unmixing techniques often rely on spectral libraries, i.e. collections of pure material spectra (endmembers, EM), which ideally cover the large EM variability typically present in urban scenes. Despite the advent of several (semi-) automated EM detection algorithms, the collection of such image-specific libraries remains a tedious and time-consuming task. As an alternative, we suggest the use of a generic urban EM library, containing material spectra under varying conditions, acquired from different locations and sensors. This approach requires an efficient EM selection technique, capable of only selecting those spectra relevant for a specific image. In this paper, we evaluate and compare the potential of different existing library pruning algorithms (Iterative Endmember Selection and MUSIC) using simulated hyperspectral (APEX) data of the Brussels metropolitan area. In addition, we develop a new hybrid EM selection method which is shown to be highly efficient in dealing with both imagespecific and generic libraries, subsequently yielding more robust land cover classification results compared to existing methods. Future research will include further optimization of the proposed algorithm and additional tests on both simulated and real hyperspectral data.

Combination of Multiple Spectral Libraries Improves the Current Search Methods Used to Identify Missing Proteins in the Chromosome-Centric Human Proteome Project.

Science.gov (United States)

Cho, Jin-Young; Lee, Hyoung-Joo; Jeong, Seul-Ki; Kim, Kwang-Youl; Kwon, Kyung-Hoon; Yoo, Jong Shin; Omenn, Gilbert S; Baker, Mark S; Hancock, William S; Paik, Young-Ki

2015-12-04

Approximately 2.9 billion long base-pair human reference genome sequences are known to encode some 20 000 representative proteins. However, 3000 proteins, that is, ~15% of all proteins, have no or very weak proteomic evidence and are still missing. Missing proteins may be present in rare samples in very low abundance or be only temporarily expressed, causing problems in their detection and protein profiling. In particular, some technical limitations cause missing proteins to remain unassigned. For example, current mass spectrometry techniques have high limits and error rates for the detection of complex biological samples. An insufficient proteome coverage in a reference sequence database and spectral library also raises major issues. Thus, the development of a better strategy that results in greater sensitivity and accuracy in the search for missing proteins is necessary. To this end, we used a new strategy, which combines a reference spectral library search and a simulated spectral library search, to identify missing proteins. We built the human iRefSPL, which contains the original human reference spectral library and additional peptide sequence-spectrum match entries from other species. We also constructed the human simSPL, which contains the simulated spectra of 173 907 human tryptic peptides determined by MassAnalyzer (version 2.3.1). To prove the enhanced analytical performance of the combination of the human iRefSPL and simSPL methods for the identification of missing proteins, we attempted to reanalyze the placental tissue data set (PXD000754). The data from each experiment were analyzed using PeptideProphet, and the results were combined using iProphet. For the quality control, we applied the class-specific false-discovery rate filtering method. All of the results were filtered at a false-discovery rate of libraries, iRefSPL and simSPL, were designed to ensure no overlap of the proteome coverage. They were shown to be complementary to spectral library

The volatile compound BinBase mass spectral database.

Science.gov (United States)

Skogerson, Kirsten; Wohlgemuth, Gert; Barupal, Dinesh K; Fiehn, Oliver

2011-08-04

Volatile compounds comprise diverse chemical groups with wide-ranging sources and functions. These compounds originate from major pathways of secondary metabolism in many organisms and play essential roles in chemical ecology in both plant and animal kingdoms. In past decades, sampling methods and instrumentation for the analysis of complex volatile mixtures have improved; however, design and implementation of database tools to process and store the complex datasets have lagged behind. The volatile compound BinBase (vocBinBase) is an automated peak annotation and database system developed for the analysis of GC-TOF-MS data derived from complex volatile mixtures. The vocBinBase DB is an extension of the previously reported metabolite BinBase software developed to track and identify derivatized metabolites. The BinBase algorithm uses deconvoluted spectra and peak metadata (retention index, unique ion, spectral similarity, peak signal-to-noise ratio, and peak purity) from the Leco ChromaTOF software, and annotates peaks using a multi-tiered filtering system with stringent thresholds. The vocBinBase algorithm assigns the identity of compounds existing in the database. Volatile compound assignments are supported by the Adams mass spectral-retention index library, which contains over 2,000 plant-derived volatile compounds. Novel molecules that are not found within vocBinBase are automatically added using strict mass spectral and experimental criteria. Users obtain fully annotated data sheets with quantitative information for all volatile compounds for studies that may consist of thousands of chromatograms. The vocBinBase database may also be queried across different studies, comprising currently 1,537 unique mass spectra generated from 1.7 million deconvoluted mass spectra of 3,435 samples (18 species). Mass spectra with retention indices and volatile profiles are available as free download under the CC-BY agreement (http://vocbinbase.fiehnlab.ucdavis.edu). The Bin

The volatile compound BinBase mass spectral database

Directory of Open Access Journals (Sweden)

Barupal Dinesh K

2011-08-01

Full Text Available Abstract Background Volatile compounds comprise diverse chemical groups with wide-ranging sources and functions. These compounds originate from major pathways of secondary metabolism in many organisms and play essential roles in chemical ecology in both plant and animal kingdoms. In past decades, sampling methods and instrumentation for the analysis of complex volatile mixtures have improved; however, design and implementation of database tools to process and store the complex datasets have lagged behind. Description The volatile compound BinBase (vocBinBase is an automated peak annotation and database system developed for the analysis of GC-TOF-MS data derived from complex volatile mixtures. The vocBinBase DB is an extension of the previously reported metabolite BinBase software developed to track and identify derivatized metabolites. The BinBase algorithm uses deconvoluted spectra and peak metadata (retention index, unique ion, spectral similarity, peak signal-to-noise ratio, and peak purity from the Leco ChromaTOF software, and annotates peaks using a multi-tiered filtering system with stringent thresholds. The vocBinBase algorithm assigns the identity of compounds existing in the database. Volatile compound assignments are supported by the Adams mass spectral-retention index library, which contains over 2,000 plant-derived volatile compounds. Novel molecules that are not found within vocBinBase are automatically added using strict mass spectral and experimental criteria. Users obtain fully annotated data sheets with quantitative information for all volatile compounds for studies that may consist of thousands of chromatograms. The vocBinBase database may also be queried across different studies, comprising currently 1,537 unique mass spectra generated from 1.7 million deconvoluted mass spectra of 3,435 samples (18 species. Mass spectra with retention indices and volatile profiles are available as free download under the CC-BY agreement (http

The US Geological Survey, digital spectral reflectance library: version 1: 0.2 to 3.0 microns

Science.gov (United States)

Clark, Roger N.; Swayze, Gregg A.; King, Trude V. V.; Gallagher, Andrea J.; Calvin, Wendy M.

1993-01-01

We have developed a digital reflectance spectral library, with management and spectral analysis software. The library includes 500 spectra of 447 samples (some samples include a series of grain sizes) measured from approximately 0.2 to 3.0 microns. The spectral resolution (Full Width Half Maximum) of the reflectance data is less than or equal to 4 nm in the visible (0.2-0.8 microns) and less than or equal 10 nm in the NIR (0.8-2.35 microns). All spectra were corrected to absolute reflectance using an NBS Halon standard. Library management software lets users search on parameters (e.g. chemical formulae, chemical analyses, purity of samples, mineral groups, etc.) as well as spectral features. Minerals from sulfide, oxide, hydroxide, halide, carbonate, nitrate, borate, phosphate, and silicate groups are represented. X-ray and chemical analyses are tabulated for many of the entries, and all samples have been evaluated for spectral purity. The library also contains end and intermediate members for the olivine, garnet, scapolite, montmorillonite, muscovite, jarosite, and alunite solid-solution series. We have included representative spectra of H2O ice, kerogen, ammonium-bearing minerals, rare-earth oxides, desert varnish coatings, kaolinite crystallinity series, kaolinite-smectite series, zeolite series, and an extensive evaporite series. Because of the importance of vegetation to climate-change studies we have include 17 spectra of tree leaves, bushes, and grasses.

Identification of meat products by shotgun spectral matching

DEFF Research Database (Denmark)

Ohana, D.; Dalebout, H.; Marissen, R. J.

2016-01-01

A new method, based on shotgun spectral matching of peptide tandem mass spectra, was successfully applied to the identification of different food species. The method was demonstrated to work on raw as well as processed samples from 16 mammalian and 10 bird species by counting spectral matches...... to spectral libraries in a reference database with one spectral library per species. A phylogenetic tree could also be constructed directly from the spectra. Nearly all samples could be correctly identified at the species level, and 100% at the genus level. The method does not use any genomic information...

A quantitative infrared spectral library of vapor phase chemicals: applications to environmental monitoring and homeland defense

Science.gov (United States)

Sharpe, Steven W.; Johnson, Timothy J.; Sams, Robert L.

2004-12-01

The utility of infrared spectroscopy for monitoring and early warning of accidental or deliberate chemical releases to the atmosphere is well documented. Regardless of the monitoring technique (open-path or extractive) or weather the spectrometer is passive or active (Fourier transform or lidar) a high quality, quantitative reference library is essential for meaningful interpretation of the data. Pacific Northwest National Laboratory through the support of the Department of Energy has been building a library of pure, vapor phase chemical species for the last 4 years. This infrared spectral library currently contains over 300 chemicals and is expected to grow to over 400 chemicals before completion. The library spectra are based on a statistical fit to many spectra at different concentrations, allowing for rigorous error analysis. The contents of the library are focused on atmospheric pollutants, naturally occurring chemicals, toxic industrial chemicals and chemicals specifically designed to do damage. Applications, limitations and technical details of the spectral library will be discussed.

Using LUCAS topsoil database to estimate soil organic carbon content in local spectral libraries

Science.gov (United States)

Castaldi, Fabio; van Wesemael, Bas; Chabrillat, Sabine; Chartin, Caroline

2017-04-01

The quantification of the soil organic carbon (SOC) content over large areas is mandatory to obtain accurate soil characterization and classification, which can improve site specific management at local or regional scale exploiting the strong relationship between SOC and crop growth. The estimation of the SOC is not only important for agricultural purposes: in recent years, the increasing attention towards global warming highlighted the crucial role of the soil in the global carbon cycle. In this context, soil spectroscopy is a well consolidated and widespread method to estimate soil variables exploiting the interaction between chromophores and electromagnetic radiation. The importance of spectroscopy in soil science is reflected by the increasing number of large soil spectral libraries collected in the world. These large libraries contain soil samples derived from a consistent number of pedological regions and thus from different parent material and soil types; this heterogeneity entails, in turn, a large variability in terms of mineralogical and organic composition. In the light of the huge variability of the spectral responses to SOC content and composition, a rigorous classification process is necessary to subset large spectral libraries and to avoid the calibration of global models failing to predict local variation in SOC content. In this regard, this study proposes a method to subset the European LUCAS topsoil database into soil classes using a clustering analysis based on a large number of soil properties. The LUCAS database was chosen to apply a standardized multivariate calibration approach valid for large areas without the need for extensive field and laboratory work for calibration of local models. Seven soil classes were detected by the clustering analyses and the samples belonging to each class were used to calibrate specific partial least square regression (PLSR) models to estimate SOC content of three local libraries collected in Belgium (Loam belt

A global spectral library to characterize the world's soil

DEFF Research Database (Denmark)

A. Viscarra Rossel, Raphael; Behrens, T.; Ben Dor, E.

2016-01-01

to sustainably manage and preserve it for future generations. To this end, we developed and analyzed a global soil visible–near infrared (vis–NIR) spectral library. It is currently the largest and most diverse database of its kind. We show that the information encoded in the spectra can describe soil composition...... help to deal with the shortage of data on soil to better understand it and to meet the growing demand for information to assess andmonitor soil at scales ranging fromregional to global.New contributions to the library are encouraged so that this work and our collaboration might progress to develop......Soil provides ecosystemservices, supports human health and habitation, stores carbon and regulatesemissions of greenhouse gases. Unprecedented pressures on soil from degradation and urbanization are threatening agroecological balances and food security. It is important that we learn more about soil...

Organic Contaminants Library for the Sample Analysis at Mars

Science.gov (United States)

Misra, P.; Garcia-Sanchez, R.; Canham, J.; Mahaffy, P. R.

2012-12-01

A library containing mass spectra for Sample Analysis at Mars (SAM) materials has been developed with the purpose of contamination identification and control. Based on analysis of the Gas Chromatography-Mass Spectrometric (GCMS) data through thermal desorption, organic compounds were successfully identified from material samples, such as polymers, paints and adhesives. The library contains the spectra for all the compounds found in each of these analyzed files and is supplemented by a file information spreadsheet, a spreadsheet-formatted library for easy searching, and a Perfluorotributylamine (PFTBA) based normalization protocol to make corrections to SAM data in order to meet the standard set by commercial libraries. An example of the library in use can be seen in Figure 1, where the abundances match closely, the spectral shape is retained, and the library picks up on it with an 88% identification probability. Of course, there are also compounds that have not been identified and are retained as unknowns. The library we have developed, along with its supplemental materials, is useful from both organizational and practical viewpoints. Through them we are able to organize large volumes of GCMS data, while at the same time breaking down the components that each material sample is made of. This approach in turn allows us straightforward and fast access to information that will be critical while performing analysis on the data recorded by the SAM instrumentation. In addition, the normalization protocol dramatically increased the identification probability. In SAM GCMS, PFTBA signals were obfuscated, resulting in library matches far away from PFTBA; by using the normalization protocol we were able to transform it into a 92% probable spectral match for PFTBA. The project has demonstrated conclusively that the library is successful in identifying unknown compounds utilizing both the Automated Mass Spectral Deconvolution & Identification System (AMDIS) and the Ion

Computational mass spectrometry for small molecules

Science.gov (United States)

2013-01-01

The identification of small molecules from mass spectrometry (MS) data remains a major challenge in the interpretation of MS data. This review covers the computational aspects of identifying small molecules, from the identification of a compound searching a reference spectral library, to the structural elucidation of unknowns. In detail, we describe the basic principles and pitfalls of searching mass spectral reference libraries. Determining the molecular formula of the compound can serve as a basis for subsequent structural elucidation; consequently, we cover different methods for molecular formula identification, focussing on isotope pattern analysis. We then discuss automated methods to deal with mass spectra of compounds that are not present in spectral libraries, and provide an insight into de novo analysis of fragmentation spectra using fragmentation trees. In addition, this review shortly covers the reconstruction of metabolic networks using MS data. Finally, we list available software for different steps of the analysis pipeline. PMID:23453222

Revived STIS. II. Properties of Stars in the Next Generation Spectral Library

Science.gov (United States)

Heap, Sara R.; Lindler, D.

2010-01-01

Spectroscopic surveys of galaxies at high redshift will bring the rest-frame ultraviolet into view of large, ground-based telescopes. The UV-blue spectral region is rich in diagnostics, but these diagnostics have not yet been calibrated in terms of the properties of the responsible stellar population(s). Such calibrations are now possible with Hubble's Next Generation Spectral Library (NGSL). The NGSL contains UV-optical spectra (0.2 - 1.0 microns) of 374 stars having a wide range in temperature, luminosity, and metallicity. We will describe our work to derive basic stellar parameters from NGSL spectra using modern model spectra and to use these stellar parameters to develop UV-blue spectral diagnostics.

Towards a full reference library of MS(n) spectra. II: A perspective from the library of pesticide spectra extracted from the literature/Internet.

Science.gov (United States)

Milman, Boris L; Zhurkovich, Inna K

2011-12-30

To gain perspective on building full transferable libraries of MS(n) spectra from their diverse/numerous collections, a new library was built from 1723 MS(>1) spectra (mainly MS² spectra) of 490 pesticides and related compounds. Spectra acquired on different types of tandem instruments in various experimental conditions were extracted from 168 literature articles and Internet sites. Testing of the library was based on searches where 'unknown' and reference spectra originated from different sources (mainly from different laboratories) were cross-compared. The NIST 05 MS² library was added to the reference spectra. The library searches were performed with all the test spectra or were divided into different subsamples containing (a) various numbers of replicate spectra of test compounds or (b) spectra acquired from different instrument types. Thus, the dependence of true/false search (identification) result rates on different factors was explored. The percentage of 1st rank correct identifications (true positives) for the only 'unknown' mass spectrum and two and more reference spectra and matching precursor ion m/z values was 89%. For qualified matches, above the cut-off match factor, that rate decreased to 80%. The corresponding rates based on the best match for two and more 'unknown' and reference spectral replicates were 89-94%. For quadrupole instruments, the rates were even higher: 91-95% (one 'unknown' spectrum) and 90-100% (two and more such spectra). This study shows that MS² spectral libraries generated from the numerous literature/Internet sources are not less efficient for the goal of identification of unknown compounds including pesticides than very common EI-MS¹ libraries and are almost as efficient as the most productive from current MS² spectral databases. Such libraries may be used as individual reference databases or supplements to large experimental spectral collections covering many groups of abundant compounds and different types of tandem

Tracking juniper berry content in oils and distillates by spectral deconvolution of gas chromatography/mass spectrometry data.

Science.gov (United States)

Robbat, Albert; Kowalsick, Amanda; Howell, Jessalin

2011-08-12

The complex nature of botanicals and essential oils makes it difficult to identify all of the constituents by gas chromatography/mass spectrometry (GC/MS) alone. In this paper, automated sequential, multidimensional gas chromatography/mass spectrometry (GC-GC/MS) was used to obtain a matrix-specific, retention time/mass spectrometry library of 190 juniper berry oil compounds. GC/MS analysis on stationary phases with different polarities confirmed the identities of each compound when spectral deconvolution software was used to analyze the oil. Also analyzed were distillates of juniper berry and its oil as well as gin from four different manufacturers. Findings showed the chemical content of juniper berry can be traced from starting material to final product and can be used to authenticate and differentiate brands. Copyright © 2011 Elsevier B.V. All rights reserved.

Comparative Analysis of Mass Spectral Similarity Measures on Peak Alignment for Comprehensive Two-Dimensional Gas Chromatography Mass Spectrometry

Science.gov (United States)

2013-01-01

Peak alignment is a critical procedure in mass spectrometry-based biomarker discovery in metabolomics. One of peak alignment approaches to comprehensive two-dimensional gas chromatography mass spectrometry (GC×GC-MS) data is peak matching-based alignment. A key to the peak matching-based alignment is the calculation of mass spectral similarity scores. Various mass spectral similarity measures have been developed mainly for compound identification, but the effect of these spectral similarity measures on the performance of peak matching-based alignment still remains unknown. Therefore, we selected five mass spectral similarity measures, cosine correlation, Pearson's correlation, Spearman's correlation, partial correlation, and part correlation, and examined their effects on peak alignment using two sets of experimental GC×GC-MS data. The results show that the spectral similarity measure does not affect the alignment accuracy significantly in analysis of data from less complex samples, while the partial correlation performs much better than other spectral similarity measures when analyzing experimental data acquired from complex biological samples. PMID:24151524

Study of old ecological hazards, oil seeps and contaminations using earth observation methods – spectral library for oil seep

Directory of Open Access Journals (Sweden)

Smejkalová Eva

2017-03-01

Full Text Available The possibilities of remote sensing techniques in the field of the Earth surface monitoring and protection specifically for the problems caused by petroleum contaminations, for the mapping of insufficiently plugged and abandoned old oil wells and for the analysis of onshore oil seeps are described. Explained is the methodology for analyzing and detection of potential hydrocarbon contaminations using the Earth observation in the area of interest in Slovakia (Korňa and in Czech Republic (Nesyt, mainly building and calibrating the spectral library for oil seeps. The acquisition of the in-situ field data (ASD, Cropscan spectroradiometers for this purpose, the successful building and verification of hydrocarbon spectral library, the application of hydrocarbon indexes and use of shift in red-edge part of electromagnetic spectra, the spectral analysis of input data are clarified in the paper. Described is approach which could innovate the routine methods for investigating the occurrence of hydrocarbons and can assist during the mapping and locating the potential oil seep sites. Important outcome is the successful establishment of a spectral library (database with calibration data suitable for further application in data classification for identifying the occurrence of hydrocarbons.

Protocol for an electrospray ionization tandem mass spectral product ion library: development and application for identification of 240 pesticides in foods.

Science.gov (United States)

Zhang, Kai; Wong, Jon W; Yang, Paul; Hayward, Douglas G; Sakuma, Takeo; Zou, Yunyun; Schreiber, André; Borton, Christopher; Nguyen, Tung-Vi; Kaushik, Banerjee; Oulkar, Dasharath

2012-07-03

Modern determination techniques for pesticides must yield identification quickly with high confidence for timely enforcement of tolerances. A protocol for the collection of liquid chromatography (LC) electrospray ionization (ESI)-quadruple linear ion trap (Q-LIT) mass spectrometry (MS) library spectra was developed. Following the protocol, an enhanced product ion (EPI) library of 240 pesticides was developed by use of spectra collected from two laboratories. A LC-Q-LIT-MS workflow using scheduled multiple reaction monitoring (sMRM) survey scan, information-dependent acquisition (IDA) triggered collection of EPI spectra, and library search was developed and tested to identify the 240 target pesticides in one single LC-Q-LIT MS analysis. By use of LC retention time, one sMRM survey scan transition, and a library search, 75-87% of the 240 pesticides were identified in a single LC/MS analysis at fortified concentrations of 10 ng/g in 18 different foods. A conventional approach with LC-MS/MS using two MRM transitions produced the same identifications and comparable quantitative results with the same incurred foods as the LC-Q-LIT using EPI library search, finding 1.2-49 ng/g of either carbaryl, carbendazim, fenbuconazole, propiconazole, or pyridaben in peaches; carbendazim, imazalil, terbutryn, and thiabendazole in oranges; terbutryn in salmon; and azoxystrobin in ginseng. Incurred broccoli, cabbage, and kale were screened with the same EPI library using three LC-Q-LIT and a LC-quadruple time-of-flight (Q-TOF) instruments. The library search identified azoxystrobin, cyprodinil, fludioxinil, imidacloprid, metalaxyl, spinosyn A, D, and J, amd spirotetramat with each instrument. The approach has a broad application in LC-MS/MS type targeted screening in food analysis.

On the construction of a new stellar classification template library for the LAMOST spectral analysis pipeline

Energy Technology Data Exchange (ETDEWEB)

Wei, Peng; Luo, Ali; Li, Yinbi; Tu, Liangping; Wang, Fengfei; Zhang, Jiannan; Chen, Xiaoyan; Hou, Wen; Kong, Xiao; Wu, Yue; Zuo, Fang; Yi, Zhenping; Zhao, Yongheng; Chen, Jianjun; Du, Bing; Guo, Yanxin; Ren, Juanjuan [Key Laboratory of Optical Astronomy, National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012 (China); Pan, Jingchang; Jiang, Bin; Liu, Jie, E-mail: lal@nao.cas.cn, E-mail: weipeng@nao.cas.cn [School of Mechanical, Electrical, and Information Engineering, Shandong University, Weihai 264209 (China); and others

2014-05-01

The LAMOST spectral analysis pipeline, called the 1D pipeline, aims to classify and measure the spectra observed in the LAMOST survey. Through this pipeline, the observed stellar spectra are classified into different subclasses by matching with template spectra. Consequently, the performance of the stellar classification greatly depends on the quality of the template spectra. In this paper, we construct a new LAMOST stellar spectral classification template library, which is supposed to improve the precision and credibility of the present LAMOST stellar classification. About one million spectra are selected from LAMOST Data Release One to construct the new stellar templates, and they are gathered in 233 groups by two criteria: (1) pseudo g – r colors obtained by convolving the LAMOST spectra with the Sloan Digital Sky Survey ugriz filter response curve, and (2) the stellar subclass given by the LAMOST pipeline. In each group, the template spectra are constructed using three steps. (1) Outliers are excluded using the Local Outlier Probabilities algorithm, and then the principal component analysis method is applied to the remaining spectra of each group. About 5% of the one million spectra are ruled out as outliers. (2) All remaining spectra are reconstructed using the first principal components of each group. (3) The weighted average spectrum is used as the template spectrum in each group. Using the previous 3 steps, we initially obtain 216 stellar template spectra. We visually inspect all template spectra, and 29 spectra are abandoned due to low spectral quality. Furthermore, the MK classification for the remaining 187 template spectra is manually determined by comparing with 3 template libraries. Meanwhile, 10 template spectra whose subclass is difficult to determine are abandoned. Finally, we obtain a new template library containing 183 LAMOST template spectra with 61 different MK classes by combining it with the current library.

Neutrino mass hierarchy and three-flavor spectral splits of supernova neutrinos

International Nuclear Information System (INIS)

Dasgupta, Basudeb; Mirizzi, Alessandro; Tomas, Ricard; Tamborra, Irene

2010-01-01

It was recently realized that three-flavor effects could peculiarly modify the development of spectral splits induced by collective oscillations, for supernova neutrinos emitted during the cooling phase of a protoneutron star. We systematically explore this case, explaining how the impact of these three-flavor effects depends on the ordering of the neutrino masses. In inverted mass hierarchy, the solar mass splitting gives rise to instabilities in regions of the (anti)neutrino energy spectra that were otherwise stable under the leading two-flavor evolution governed by the atmospheric mass splitting and by the 1-3 mixing angle. As a consequence, the high-energy spectral splits found in the electron (anti)neutrino spectra disappear, and are transferred to other flavors. Imperfect adiabaticity leads to smearing of spectral swap features. In normal mass hierarchy, the three-flavor and the two-flavor instabilities act in the same region of the neutrino energy spectrum, leading to only minor departures from the two-flavor treatment.

Atmospheric and Fundamental Parameters of Stars in Hubble's Next Generation Spectral Library

Science.gov (United States)

Heap, Sally

2010-01-01

Hubble's Next Generation Spectral Library (NGSL) consists of R approximately 1000 spectra of 374 stars of assorted temperature, gravity, and metallicity. We are presently working to determine the atmospheric and fundamental parameters of the stars from the NGSL spectra themselves via full-spectrum fitting of model spectra to the observed (extinction-corrected) spectrum over the full wavelength range, 0.2-1.0 micron. We use two grids of model spectra for this purpose: the very low-resolution spectral grid from Castelli-Kurucz (2004), and the grid from MARCS (2008). Both the observed spectrum and the MARCS spectra are first degraded in resolution to match the very low resolution of the Castelli-Kurucz models, so that our fitting technique is the same for both model grids. We will present our preliminary results with a comparison with those from the Sloan/Segue Stellar Parameter Pipeline, ELODIE, and MILES, etc.

Novel search algorithms for a mid-infrared spectral library of cotton contaminants.

Science.gov (United States)

Loudermilk, J Brian; Himmelsbach, David S; Barton, Franklin E; de Haseth, James A

2008-06-01

During harvest, a variety of plant based contaminants are collected along with cotton lint. The USDA previously created a mid-infrared, attenuated total reflection (ATR), Fourier transform infrared (FT-IR) spectral library of cotton contaminants for contaminant identification as the contaminants have negative impacts on yarn quality. This library has shown impressive identification rates for extremely similar cellulose based contaminants in cases where the library was representative of the samples searched. When spectra of contaminant samples from crops grown in different geographic locations, seasons, and conditions and measured with a different spectrometer and accessories were searched, identification rates for standard search algorithms decreased significantly. Six standard algorithms were examined: dot product, correlation, sum of absolute values of differences, sum of the square root of the absolute values of differences, sum of absolute values of differences of derivatives, and sum of squared differences of derivatives. Four categories of contaminants derived from cotton plants were considered: leaf, stem, seed coat, and hull. Experiments revealed that the performance of the standard search algorithms depended upon the category of sample being searched and that different algorithms provided complementary information about sample identity. These results indicated that choosing a single standard algorithm to search the library was not possible. Three voting scheme algorithms based on result frequency, result rank, category frequency, or a combination of these factors for the results returned by the standard algorithms were developed and tested for their capability to overcome the unpredictability of the standard algorithms' performances. The group voting scheme search was based on the number of spectra from each category of samples represented in the library returned in the top ten results of the standard algorithms. This group algorithm was able to identify

Topological susceptibility from twisted mass fermions using spectral projectors

Energy Technology Data Exchange (ETDEWEB)

Cichy, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Poznan Univ. (Poland). Faculty of Physics; Garcia-Ramos, E. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Humboldt-Universitaet, Berlin (Germany); Jansen, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Shindler, A. [Forschungszentrum Juelich (Germany). IAS; Forschungszentrum Juelich (Germany). IKP; Forschungszentrum Juelich (Germany). JCHP; Collaboration: European Twisted Mass Collaboration

2013-12-15

We discuss the computation of the topological susceptibility using the method of spectral projectors and dynamical twisted mass fermions. We present our analysis concerning the O(a)- improvement of the topological susceptibility and we show numerical results for N{sub f}=2 and N{sub f}=2+1+1 flavours, performing a study of the quark mass dependence in terms of leading order chiral perturbation theory.

SWATH Mass Spectrometry Performance Using Extended Peptide MS/MS Assay Libraries*

Science.gov (United States)

Wu, Jemma X.; Song, Xiaomin; Pascovici, Dana; Zaw, Thiri; Care, Natasha; Krisp, Christoph; Molloy, Mark P.

2016-01-01

The use of data-independent acquisition methods such as SWATH for mass spectrometry based proteomics is usually performed with peptide MS/MS assay libraries which enable identification and quantitation of peptide peak areas. Reference assay libraries can be generated locally through information dependent acquisition, or obtained from community data repositories for commonly studied organisms. However, there have been no studies performed to systematically evaluate how locally generated or repository-based assay libraries affect SWATH performance for proteomic studies. To undertake this analysis, we developed a software workflow, SwathXtend, which generates extended peptide assay libraries by integration with a local seed library and delivers statistical analysis of SWATH-quantitative comparisons. We designed test samples using peptides from a yeast extract spiked into peptides from human K562 cell lysates at three different ratios to simulate protein abundance change comparisons. SWATH-MS performance was assessed using local and external assay libraries of varying complexities and proteome compositions. These experiments demonstrated that local seed libraries integrated with external assay libraries achieve better performance than local assay libraries alone, in terms of the number of identified peptides and proteins and the specificity to detect differentially abundant proteins. Our findings show that the performance of extended assay libraries is influenced by the MS/MS feature similarity of the seed and external libraries, while statistical analysis using multiple testing corrections increases the statistical rigor needed when searching against large extended assay libraries. PMID:27161445

A large synthetic peptide and phosphopeptide reference library for mass spectrometry–based proteomics

NARCIS (Netherlands)

Marx, H.; Lemeer, S.; Schliep, J.E.; Matheron, L.I.; Mohammed, S.; Cox, J.; Mann, M.; Heck, A.J.R.; Kuster, B.

2013-01-01

We present a peptide library and data resource of >100,000 synthetic, unmodified peptides and their phosphorylated counterparts with known sequences and phosphorylation sites. Analysis of the library by mass spectrometry yielded a data set that we used to evaluate the merits of different search

Spectral Variability of Two Rapidly Rotating Brown Dwarfs: 2MASS J08354256-0819237 and 2MASS J18212815+1414010

OpenAIRE

Schlawin, Everett; Burgasser, Adam J.; Karalidi, Theodora; Gizis, John; Teske, Johanna

2017-01-01

L dwarfs exhibit low-level, rotationally-modulated photometric variability generally associated with heterogeneous, cloud-covered atmospheres. The spectral character of these variations yields insight into the particle sizes and vertical structure of the clouds. Here we present the results of a high precision, ground-based, near-infrared, spectral monitoring study of two mid-type L dwarfs that have variability reported in the literature, 2MASS J08354256-0819237 and 2MASS J18212815+1414010, us...

A spectral differential characterization of low-mass companions

Directory of Open Access Journals (Sweden)

Lyubchik Y.

2013-04-01

Full Text Available We present a new approach with which the dynamical mass of low-mass companions around cool stars can be found. In order to discover companions to late-type stars the stellar spectrum is removed. For this we substract two spectra obtained at different orbital phases from each other in order to discover the companion spectrum in the difference spectrum in which the companion lines appear twice (positive and negative signal. The resulting radial velocity difference of these two signals provides the true mass of the companion. For our test case GJ1046, an M2V dwarf with a low-mass companion that most likely is a brown dwarf we select the CO line region in the K-band. We show that the dynamical mass of a faint companion to an M dwarf can be determined using our spectral differential technique. Only if the companion rotates rapidly and has a small radial velocity amplitude due to a high mass, does blending occur for all lines so that our approach fails. In addition to determining the companion mass, we restore the single companion spectrum from the difference spectrum using singular value decomposition.

Separation and characterization of metallosupramolecular libraries by ion mobility mass spectrometry.

Science.gov (United States)

Li, Xiaopeng; Chan, Yi-Tsu; Casiano-Maldonado, Madalis; Yu, Jing; Carri, Gustavo A; Newkome, George R; Wesdemiotis, Chrys

2011-09-01

The self-assembly of Zn(II) ions and bis(terpyridine) (tpy) ligands carrying 120° or 180° angles between their metal binding sites was utilized to prepare metallosupramolecular libraries with the connectivity. These combinatorial libraries were separated and characterized by ion mobility mass spectrometry (IM MS) and tandem mass spectrometry (MS(2)). The 180°-angle building blocks generate exclusively linear complexes, which were used as standards to determine the architectures of the assemblies resulting from the 120°-angle ligands. The latter ligand geometry promotes the formation of macrocyclic hexamers, but other n-mers with smaller (n = 5) or larger ring sizes (n = 7-9) were identified as minor products, indicating that the angles in the bis(terpyridine) ligand and within the coordinative tpy-Zn(II)-tpy bonds are not as rigid, as previously believed. Macrocyclic and linear isomers were detected in penta- and heptameric assemblies; in the larger octa- and nonameric assemblies, ring-opened conformers with compact and folded geometries were observed in addition to linear extended and cyclic architectures. IM MS(2) experiments provided strong evidence that the macrocycles present in the libraries were already formed in solution, during the self-assembly process, not by dissociation of larger complexes in the gas phase. The IM MS/MS(2) methods provide a means to analyze, based on size and shape (architecture), supramolecular libraries that are not amenable to liquid chromatography, LC-MS, NMR, and/or X-ray techniques.

Metabolite Identification Using Automated Comparison of High-Resolution Multistage Mass Spectral Trees

NARCIS (Netherlands)

Rojas-Cherto, M.; Peironcely, J.E.; Kasper, P.T.; Hooft, van der J.J.J.; Vos, de R.C.H.; Vreeken, R.; Hankemeier, T.; Reijmers, T.

2012-01-01

Multistage mass spectrometry (MSn) generating so-called spectral trees is a powerful tool in the annotation and structural elucidation of metabolites and is increasingly used in the area of accurate mass LC/MS-based metabolomics to identify unknown, but biologically relevant, compounds. As a

Spectral quality requirements for effluent identification

Science.gov (United States)

Czerwinski, R. N.; Seeley, J. A.; Wack, E. C.

2005-11-01

We consider the problem of remotely identifying gaseous materials using passive sensing of long-wave infrared (LWIR) spectral features at hyperspectral resolution. Gaseous materials are distinguishable in the LWIR because of their unique spectral fingerprints. A sensor degraded in capability by noise or limited spectral resolution, however, may be unable to positively identify contaminants, especially if they are present in low concentrations or if the spectral library used for comparisons includes materials with similar spectral signatures. This paper will quantify the relative importance of these parameters and express the relationships between them in a functional form which can be used as a rule of thumb in sensor design or in assessing sensor capability for a specific task. This paper describes the simulation of remote sensing datacontaining a gas cloud.In each simulation, the spectra are degraded in spectral resolution and through the addition of noise to simulate spectra collected by sensors of varying design and capability. We form a trade space by systematically varying the number of sensor spectral channels and signal-to-noise ratio over a range of values. For each scenario, we evaluate the capability of the sensor for gas identification by computing the ratio of the F-statistic for the truth gas tothe same statistic computed over the rest of the library.The effect of the scope of the library is investigated as well, by computing statistics on the variability of the identification capability as the library composition is varied randomly.

An Empirical Template Library of Stellar Spectra for a Wide Range of Spectral Classes, Luminosity Classes, and Metallicities Using SDSS BOSS Spectra

Energy Technology Data Exchange (ETDEWEB)

Kesseli, Aurora Y.; West, Andrew A.; Veyette, Mark; Harrison, Brandon; Feldman, Dan [Boston University Astronomy Department, 725 Commonwealth Ave., Boston, MA 02215 (United States); Bochanski, John J., E-mail: aurorak@bu.edu [Rider University, 2083 Lawrenceville Rd., Lawrence Township, NJ 08648 (United States)

2017-06-01

We present a library of empirical stellar spectra created using spectra from the Sloan Digital Sky Survey’s Baryon Oscillation Spectroscopic Survey. The templates cover spectral types O5 through L3, are binned by metallicity from −2.0 dex through +1.0 dex, and are separated into main-sequence (dwarf) stars and giant stars. With recently developed M dwarf metallicity indicators, we are able to extend the metallicity bins down through the spectral subtype M8, making this the first empirical library with this degree of temperature and metallicity coverage. The wavelength coverage for the templates is from 3650 to 10200 Å at a resolution of better than R  ∼ 2000. Using the templates, we identify trends in color space with metallicity and surface gravity, which will be useful for analyzing large data sets from upcoming missions like the Large Synoptic Survey Telescope. Along with the templates, we are releasing a code for automatically (and/or visually) identifying the spectral type and metallicity of a star.

The SpeX Prism Library Analysis Toolkit: Design Considerations and First Results

Science.gov (United States)

Burgasser, Adam J.; Aganze, Christian; Escala, Ivana; Lopez, Mike; Choban, Caleb; Jin, Yuhui; Iyer, Aishwarya; Tallis, Melisa; Suarez, Adrian; Sahi, Maitrayee

2016-01-01

Various observational and theoretical spectral libraries now exist for galaxies, stars, planets and other objects, which have proven useful for classification, interpretation, simulation and model development. Effective use of these libraries relies on analysis tools, which are often left to users to develop. In this poster, we describe a program to develop a combined spectral data repository and Python-based analysis toolkit for low-resolution spectra of very low mass dwarfs (late M, L and T dwarfs), which enables visualization, spectral index analysis, classification, atmosphere model comparison, and binary modeling for nearly 2000 library spectra and user-submitted data. The SpeX Prism Library Analysis Toolkit (SPLAT) is being constructed as a collaborative, student-centered, learning-through-research model with high school, undergraduate and graduate students and regional science teachers, who populate the database and build the analysis tools through quarterly challenge exercises and summer research projects. In this poster, I describe the design considerations of the toolkit, its current status and development plan, and report the first published results led by undergraduate students. The combined data and analysis tools are ideal for characterizing cool stellar and exoplanetary atmospheres (including direct exoplanetary spectra observations by Gemini/GPI, VLT/SPHERE, and JWST), and the toolkit design can be readily adapted for other spectral datasets as well.This material is based upon work supported by the National Aeronautics and Space Administration under Grant No. NNX15AI75G. SPLAT code can be found at https://github.com/aburgasser/splat.

Optimization of search algorithms for a mass spectra library

International Nuclear Information System (INIS)

Domokos, L.; Henneberg, D.; Weimann, B.

1983-01-01

The SISCOM mass spectra library search is mainly an interpretative system producing a ''hit list'' of similar spectra based on six comparison factors. This paper deals with extension of the system; the aim is exact identification (retrieval) of those reference spectra in the SISCOM hit list that correspond to the unknown compounds or components of the mixture. Thus, instead of a similarity measure, a decision (retrieval) function is needed to establish the identity of reference and unknown compounds by comparison of their spectra. To facilitate estimation of the weightings of the different variables in the retrieval function, pattern recognition algorithms were applied. Numerous statistical evaluations of three different library collections were made to check the quality of data bases and to derive appropriate variables for the retrieval function. (Auth.)

phpMs: A PHP-Based Mass Spectrometry Utilities Library.

Science.gov (United States)

Collins, Andrew; Jones, Andrew R

2018-03-02

The recent establishment of cloud computing, high-throughput networking, and more versatile web standards and browsers has led to a renewed interest in web-based applications. While traditionally big data has been the domain of optimized desktop and server applications, it is now possible to store vast amounts of data and perform the necessary calculations offsite in cloud storage and computing providers, with the results visualized in a high-quality cross-platform interface via a web browser. There are number of emerging platforms for cloud-based mass spectrometry data analysis; however, there is limited pre-existing code accessible to web developers, especially for those that are constrained to a shared hosting environment where Java and C applications are often forbidden from use by the hosting provider. To remedy this, we provide an open-source mass spectrometry library for one of the most commonly used web development languages, PHP. Our new library, phpMs, provides objects for storing and manipulating spectra and identification data as well as utilities for file reading, file writing, calculations, peptide fragmentation, and protein digestion as well as a software interface for controlling search engines. We provide a working demonstration of some of the capabilities at http://pgb.liv.ac.uk/phpMs .

BL Lacertae: X-ray spectral evolution and a black-hole mass estimate

Science.gov (United States)

Titarchuk, Lev; Seifina, Elena

2017-06-01

We present an analysis of the spectral properties observed in X-rays from active galactic nucleus BL Lacertae using RXTE, Suzaku, ASCA, BeppoSAX, and Swift observations. The total time covered by these observations is approximately 20 yr. We show strong observational evidence that this source undergoes X-ray spectral transitions from the low hard state (LHS) through the intermediate state (IS) to the high soft state (HSS) during these observations. During the RXTE observations (1997-2001, 180 ks, for a total 145 datasets), the source was approximately 75%, 20% and only 5% of the time in the IS, LHS, and HSS, respectively. We also used Swift observations (470 datasets, for a total 800 ks), which occurred during 12 yr (2005-2016), the broadband (0.3-200 keV) data of BeppoSAX (1997-2000, 160 ks), and the low X-ray energy (0.3-10 keV) data of ASCA (1995-1999, 160 ks). Two observations of Suzaku (2006, 2013; 50 ks) in combinations with long-term RXTE and Swift data-sets fortunately allow us to describe all spectral states of BL Lac. The spectra of BL Lac are well fitted by the so-called bulk motion Comptonization (BMC) model for all spectral states. We have established the photon index saturation level, Γsat = 2.2 ± 0.1, in the Γ versus mass accretion rate (Ṁ) correlation. This Γ - Ṁ correlation allows us to estimate the black-hole (BH) mass in BL Lac to be MBH 3 × 107M⊙ for a distance of 300 Mpc. For the BH mass estimate, we use the scaling method taking stellar-mass Galactic BHs 4U 1543-47 and GX 339-4 as reference sources. The Γ - Ṁ correlation revealed in BL Lac is similar to those in a number of stellar-mass Galactic BHs and two recently studied intermediate-mass extragalactic BHs. It clearly shows the correlation along with the very extended Γ saturation at 2.2. This is robust observational evidence for the presence of a BH in BL Lac. We also reveal that the seed (disk) photon temperatures are relatively low, of order of 100 eV, which are consistent

The Python Spectral Analysis Tool (PySAT): A Powerful, Flexible, Preprocessing and Machine Learning Library and Interface

Science.gov (United States)

Anderson, R. B.; Finch, N.; Clegg, S. M.; Graff, T. G.; Morris, R. V.; Laura, J.; Gaddis, L. R.

2017-12-01

Machine learning is a powerful but underutilized approach that can enable planetary scientists to derive meaningful results from the rapidly-growing quantity of available spectral data. For example, regression methods such as Partial Least Squares (PLS) and Least Absolute Shrinkage and Selection Operator (LASSO), can be used to determine chemical concentrations from ChemCam and SuperCam Laser-Induced Breakdown Spectroscopy (LIBS) data [1]. Many scientists are interested in testing different spectral data processing and machine learning methods, but few have the time or expertise to write their own software to do so. We are therefore developing a free open-source library of software called the Python Spectral Analysis Tool (PySAT) along with a flexible, user-friendly graphical interface to enable scientists to process and analyze point spectral data without requiring significant programming or machine-learning expertise. A related but separately-funded effort is working to develop a graphical interface for orbital data [2]. The PySAT point-spectra tool includes common preprocessing steps (e.g. interpolation, normalization, masking, continuum removal, dimensionality reduction), plotting capabilities, and capabilities to prepare data for machine learning such as creating stratified folds for cross validation, defining training and test sets, and applying calibration transfer so that data collected on different instruments or under different conditions can be used together. The tool leverages the scikit-learn library [3] to enable users to train and compare the results from a variety of multivariate regression methods. It also includes the ability to combine multiple "sub-models" into an overall model, a method that has been shown to improve results and is currently used for ChemCam data [4]. Although development of the PySAT point-spectra tool has focused primarily on the analysis of LIBS spectra, the relevant steps and methods are applicable to any spectral data. The

Topological susceptibility from twisted mass fermions using spectral projectors and the gradient flow

Science.gov (United States)

Alexandrou, Constantia; Athenodorou, Andreas; Cichy, Krzysztof; Constantinou, Martha; Horkel, Derek P.; Jansen, Karl; Koutsou, Giannis; Larkin, Conor

2018-04-01

We compare lattice QCD determinations of topological susceptibility using a gluonic definition from the gradient flow and a fermionic definition from the spectral-projector method. We use ensembles with dynamical light, strange and charm flavors of maximally twisted mass fermions. For both definitions of the susceptibility we employ ensembles at three values of the lattice spacing and several quark masses at each spacing. The data are fitted to chiral perturbation theory predictions with a discretization term to determine the continuum chiral condensate in the massless limit and estimate the overall discretization errors. We find that both approaches lead to compatible results in the continuum limit, but the gluonic ones are much more affected by cutoff effects. This finally yields a much smaller total error in the spectral-projector results. We show that there exists, in principle, a value of the spectral cutoff which would completely eliminate discretization effects in the topological susceptibility.

Bayesian approach to peak deconvolution and library search for high resolution gas chromatography - Mass spectrometry.

Science.gov (United States)

Barcaru, A; Mol, H G J; Tienstra, M; Vivó-Truyols, G

2017-08-29

A novel probabilistic Bayesian strategy is proposed to resolve highly coeluting peaks in high-resolution GC-MS (Orbitrap) data. Opposed to a deterministic approach, we propose to solve the problem probabilistically, using a complete pipeline. First, the retention time(s) for a (probabilistic) number of compounds for each mass channel are estimated. The statistical dependency between m/z channels was implied by including penalties in the model objective function. Second, Bayesian Information Criterion (BIC) is used as Occam's razor for the probabilistic assessment of the number of components. Third, a probabilistic set of resolved spectra, and their associated retention times are estimated. Finally, a probabilistic library search is proposed, computing the spectral match with a high resolution library. More specifically, a correlative measure was used that included the uncertainties in the least square fitting, as well as the probability for different proposals for the number of compounds in the mixture. The method was tested on simulated high resolution data, as well as on a set of pesticides injected in a GC-Orbitrap with high coelution. The proposed pipeline was able to detect accurately the retention times and the spectra of the peaks. For our case, with extremely high coelution situation, 5 out of the 7 existing compounds under the selected region of interest, were correctly assessed. Finally, the comparison with the classical methods of deconvolution (i.e., MCR and AMDIS) indicates a better performance of the proposed algorithm in terms of the number of correctly resolved compounds. Copyright © 2017 Elsevier B.V. All rights reserved.

The management-retrieval code of the sub-library of atomic mass and characteristic constants for nuclear ground state

International Nuclear Information System (INIS)

Su Zongdi; Ma Lizhen

1994-01-01

The management code of the sub-library of atomic mass and characteristic constants for nuclear ground state (MCC) is used for displaying the basic information on the MCC sub-library on the screen, and retrieving the required data. The MCC data file contains the data of 4800 nuclides ranging from Z 0, A = 1 to Z = 122, A = 318. The MCC sub-library has been set up at Chinese Nuclear Data Center (CNDC), and has been used to provide the atomic masses and characteristic constants of nuclear ground states for the nuclear model calculation, nuclear data evaluations and other fields

Open source libraries and frameworks for mass spectrometry based proteomics: a developer's perspective.

Science.gov (United States)

Perez-Riverol, Yasset; Wang, Rui; Hermjakob, Henning; Müller, Markus; Vesada, Vladimir; Vizcaíno, Juan Antonio

2014-01-01

Data processing, management and visualization are central and critical components of a state of the art high-throughput mass spectrometry (MS)-based proteomics experiment, and are often some of the most time-consuming steps, especially for labs without much bioinformatics support. The growing interest in the field of proteomics has triggered an increase in the development of new software libraries, including freely available and open-source software. From database search analysis to post-processing of the identification results, even though the objectives of these libraries and packages can vary significantly, they usually share a number of features. Common use cases include the handling of protein and peptide sequences, the parsing of results from various proteomics search engines output files, and the visualization of MS-related information (including mass spectra and chromatograms). In this review, we provide an overview of the existing software libraries, open-source frameworks and also, we give information on some of the freely available applications which make use of them. This article is part of a Special Issue entitled: Computational Proteomics in the Post-Identification Era. Guest Editors: Martin Eisenacher and Christian Stephan. Copyright © 2013 Elsevier B.V. All rights reserved.

Open source libraries and frameworks for mass spectrometry based proteomics: A developer's perspective☆

Science.gov (United States)

Perez-Riverol, Yasset; Wang, Rui; Hermjakob, Henning; Müller, Markus; Vesada, Vladimir; Vizcaíno, Juan Antonio

2014-01-01

Data processing, management and visualization are central and critical components of a state of the art high-throughput mass spectrometry (MS)-based proteomics experiment, and are often some of the most time-consuming steps, especially for labs without much bioinformatics support. The growing interest in the field of proteomics has triggered an increase in the development of new software libraries, including freely available and open-source software. From database search analysis to post-processing of the identification results, even though the objectives of these libraries and packages can vary significantly, they usually share a number of features. Common use cases include the handling of protein and peptide sequences, the parsing of results from various proteomics search engines output files, and the visualization of MS-related information (including mass spectra and chromatograms). In this review, we provide an overview of the existing software libraries, open-source frameworks and also, we give information on some of the freely available applications which make use of them. This article is part of a Special Issue entitled: Computational Proteomics in the Post-Identification Era. Guest Editors: Martin Eisenacher and Christian Stephan. PMID:23467006

The Herschel/HIFI unbiased spectral survey of the solar-mass protostar IRAS16293

Science.gov (United States)

Bottinelli, S.; Caux, E.; Cecarelli, C.; Kahane, C.

2012-03-01

Unbiased spectral surveys are powerful tools to study the chemistry and the physics of star forming regions, because they can provide a complete census of the molecular content and the observed lines probe the physical structure of the source. While unbiased surveys at the millimeter and sub-millimeter wavelengths observable from ground-based telescopes have previously been performed towards several high-mass protostars, very little data exist on low-mass protostars, with only one such ground-based survey carried out towards this kind of object. However, since low-mass protostars are believed to resemble our own Sun's progenitor, the information provided by spectral surveys is crucial in order to uncover the birth mechanisms of low-mass stars and hence of our Sun. To help fill up this gap in our understanding, we carried out an almost complete spectral survey towards the solar-type protostar IRAS16293-2422 with the HIFI instrument onboard Herschel. The observations covered a range of about 700 GHz, in which a few hundreds lines were detected with more than 3σ confidence interval certainty and identified. All the detected lines which were free from obvious blending effects were fitted with Gaussians to estimate their basic kinematic properties. Contrarily to what is observed in the millimeter range, no lines from complex organic molecules have been observed. In this work, we characterize the different components of IRAS16293-2422 (a known binary at least) by analyzing the numerous emission and absorption lines identified.

Advanced Spectral Library (ASTRAL): Atomic Fluorescence in Cool, Evolved Stars

Science.gov (United States)

Carpenter, Ken G.; Nielsen, Krister E.; Kober, Gladys V.; Rau, Gioia

2018-01-01

The "Advanced Spectral Library (ASTRAL) Project: Cool Stars" (PI = T. Ayres) collected a definitive set of representative, high-resolution (R~46,000 in the FUV up to ~1700 Å, R~30,000 for 1700-2150 Å, and R~114,000 >2150 Å) and high signal/noise (S/N>100) UV spectra of eight F-M evolved cool stars. These extremely high-quality STIS UV echelle spectra are available from the HST archive and from the Univ. of Colorado (http://casa.colorado.edu/~ayres/ASTRAL/) and will enable investigations of a broad range of problems -- stellar, interstellar, and beyond -- for many years. In this paper, we extend our study of the very rich emission-line spectra of the four evolved K-M stars in the sample, Beta Gem (K0 IIIb), Gamma Dra (K5 III), Gamma Cru (M3.4 III), and Alpha Ori (M2 Iab), to study the atomic fluorescence processes operating in their outer atmospheres. We summarize the pumping transitions and fluorescent line products known on the basis of previous work (e.g. Carpenter 1988, etc.) and newly identified in our current, on-going analysis of these extraordinary ASTRAL STIS spectra.

Identification of Highly Pathogenic Microorganisms by Matrix-Assisted Laser Desorption Ionization–Time of Flight Mass Spectrometry: Results of an Interlaboratory Ring Trial

DEFF Research Database (Denmark)

Lasch, Peter; Wahab, Tara; Weil, Sandra

2015-01-01

In the case of a release of highly pathogenic bacteria (HPB), there is an urgent need for rapid, accurate, and reliable diagnostics. MALDI-TOF mass spectrometry is a rapid, accurate, and relatively inexpensive technique that is becoming increasingly important in microbiological diagnostics...... mallei, Burkholderia pseudomallei, and Yersinia pestis, were characterized under blinded conditions. Microbial strains were inactivated by high-dose gamma irradiation before shipment. Preparatory investigations ensured that this type of inactivation induced only subtle spectral changes with negligible...... by the individual laboratories on the basis of spectral libraries available on site. All mass spectra were also tested against an in-house HPB library at the Robert Koch Institute (RKI). The averaged identification accuracy was 77% in the first case and improved to >93% when the spectral diagnoses were obtained...

Development of a Trypanosoma cruzi strain typing assay using MS2 peptide spectral libraries (Tc-STAMS2).

Science.gov (United States)

de Oliveira, Gilberto Santos; Kawahara, Rebeca; Rosa-Fernandes, Livia; Mule, Simon Ngao; Avila, Carla Cristi; Teixeira, Marta M G; Larsen, Martin R; Palmisano, Giuseppe

2018-04-01

Chagas disease also known as American trypanosomiasis is caused by the protozoan Trypanosoma cruzi. Over the last 30 years, Chagas disease has expanded from a neglected parasitic infection of the rural population to an urbanized chronic disease, becoming a potentially emergent global health problem. T. cruzi strains were assigned to seven genetic groups (TcI-TcVI and TcBat), named discrete typing units (DTUs), which represent a set of isolates that differ in virulence, pathogenicity and immunological features. Indeed, diverse clinical manifestations (from asymptomatic to highly severe disease) have been attempted to be related to T.cruzi genetic variability. Due to that, several DTU typing methods have been introduced. Each method has its own advantages and drawbacks such as high complexity and analysis time and all of them are based on genetic signatures. Recently, a novel method discriminated bacterial strains using a peptide identification-free, genome sequence-independent shotgun proteomics workflow. Here, we aimed to develop a Trypanosoma cruzi Strain Typing Assay using MS/MS peptide spectral libraries, named Tc-STAMS2. The Tc-STAMS2 method uses shotgun proteomics combined with spectral library search to assign and discriminate T. cruzi strains independently on the genome knowledge. The method is based on the construction of a library of MS/MS peptide spectra built using genotyped T. cruzi reference strains. For identification, the MS/MS peptide spectra of unknown T. cruzi cells are identified using the spectral matching algorithm SpectraST. The Tc-STAMS2 method allowed correct identification of all DTUs with high confidence. The method was robust towards different sample preparations, length of chromatographic gradients and fragmentation techniques. Moreover, a pilot inter-laboratory study showed the applicability to different MS platforms. This is the first study that develops a MS-based platform for T. cruzi strain typing. Indeed, the Tc-STAMS2 method

Analysis of human plasma metabolites across different liquid chromatography/mass spectrometry platforms: Cross-platform transferable chemical signatures.

Science.gov (United States)

Telu, Kelly H; Yan, Xinjian; Wallace, William E; Stein, Stephen E; Simón-Manso, Yamil

2016-03-15

The metabolite profiling of a NIST plasma Standard Reference Material (SRM 1950) on different liquid chromatography/mass spectrometry (LC/MS) platforms showed significant differences. Although these findings suggest caution when interpreting metabolomics results, the degree of overlap of both profiles allowed us to use tandem mass spectral libraries of recurrent spectra to evaluate to what extent these results are transferable across platforms and to develop cross-platform chemical signatures. Non-targeted global metabolite profiles of SRM 1950 were obtained on different LC/MS platforms using reversed-phase chromatography and different chromatographic scales (conventional HPLC, UHPLC and nanoLC). The data processing and the metabolite differential analysis were carried out using publically available (XCMS), proprietary (Mass Profiler Professional) and in-house software (NIST pipeline). Repeatability and intermediate precision showed that the non-targeted SRM 1950 profiling was highly reproducible when working on the same platform (relative standard deviation (RSD) HPLC, UHPLC and nanoLC) on the same platform. A substantial degree of overlap (common molecular features) was also found. A procedure to generate consistent chemical signatures using tandem mass spectral libraries of recurrent spectra is proposed. Different platforms rendered significantly different metabolite profiles, but the results were highly reproducible when working within one platform. Tandem mass spectral libraries of recurrent spectra are proposed to evaluate the degree of transferability of chemical signatures generated on different platforms. Chemical signatures based on our procedure are most likely cross-platform transferable. Published in 2016. This article is a U.S. Government work and is in the public domain in the USA.

Spectral Irradiance Calibration in the Infrared. XIV: the Absolute Calibration of 2MASS

OpenAIRE

Cohen, Martin; Wheaton, Wm. A.; Megeath, S. T.

2003-01-01

Element-by-element we have combined the optical components in the three 2MASS cameras, and incorporated detector quantum efficiency curves and site-specific atmospheric transmissions, to create three relative spectral response curves (RSRs). We provide absolute 2MASS attributes associated with "zero magnitude" in the JHKs bands so that these RSRs may be used for synthetic photometry. The RSRs tie 2MASS to the Cohen-Walker-Witteborn framework of absolute photometry and spectra for the purpose ...

In silico fragmentation for computer assisted identification of metabolite mass spectra

Directory of Open Access Journals (Sweden)

Müller-Hannemann Matthias

2010-03-01

Full Text Available Abstract Background Mass spectrometry has become the analytical method of choice in metabolomics research. The identification of unknown compounds is the main bottleneck. In addition to the precursor mass, tandem MS spectra carry informative fragment peaks, but the coverage of spectral libraries of measured reference compounds are far from covering the complete chemical space. Compound libraries such as PubChem or KEGG describe a larger number of compounds, which can be used to compare their in silico fragmentation with spectra of unknown metabolites. Results We created the MetFrag suite to obtain a candidate list from compound libraries based on the precursor mass, subsequently ranked by the agreement between measured and in silico fragments. In the evaluation MetFrag was able to rank most of the correct compounds within the top 3 candidates returned by an exact mass query in KEGG. Compared to a previously published study, MetFrag obtained better results than the commercial MassFrontier software. Especially for large compound libraries, the candidates with a good score show a high structural similarity or just different stereochemistry, a subsequent clustering based on chemical distances reduces this redundancy. The in silico fragmentation requires less than a second to process a molecule, and MetFrag performs a search in KEGG or PubChem on average within 30 to 300 seconds, respectively, on an average desktop PC. Conclusions We presented a method that is able to identify small molecules from tandem MS measurements, even without spectral reference data or a large set of fragmentation rules. With today's massive general purpose compound libraries we obtain dozens of very similar candidates, which still allows a confident estimate of the correct compound class. Our tool MetFrag improves the identification of unknown substances from tandem MS spectra and delivers better results than comparable commercial software. MetFrag is available through a web

Evaluation of spectral libraries and sample preparation for DIA-LC-MS analysis of host cell proteins

DEFF Research Database (Denmark)

Heissel, Søren; Bunkenborg, Jakob; Kristiansen, Max Per

2018-01-01

in the field of tuberculosis and has not previously been studied by LC-MS. The developed method and acquired experiences served to develop a generalized strategy for HCP-characterization in our laboratory. We evaluated the use of different spectral libraries, recorded in data-dependent mode for obtaining...... the highest HCP coverage, combined with SWATH-based absolute quantification. The accuracy of two label-free absolute quantification strategies was evaluated using stable isotope peptides. Two different sample preparation workflows were evaluated for optimal HCP yield. . The label-free strategy produced...... accurate quantification across several orders of magnitude, and the calculated purity was found to be in agreement with previously obtained ELISA data....

Suspected-target pesticide screening using gas chromatography-quadrupole time-of-flight mass spectrometry with high resolution deconvolution and retention index/mass spectrum library.

Science.gov (United States)

Zhang, Fang; Wang, Haoyang; Zhang, Li; Zhang, Jing; Fan, Ruojing; Yu, Chongtian; Wang, Wenwen; Guo, Yinlong

2014-10-01

A strategy for suspected-target screening of pesticide residues in complicated matrices was exploited using gas chromatography in combination with hybrid quadrupole time-of-flight mass spectrometry (GC-QTOF MS). The screening workflow followed three key steps of, initial detection, preliminary identification, and final confirmation. The initial detection of components in a matrix was done by a high resolution mass spectrum deconvolution; the preliminary identification of suspected pesticides was based on a special retention index/mass spectrum (RI/MS) library that contained both the first-stage mass spectra (MS(1) spectra) and retention indices; and the final confirmation was accomplished by accurate mass measurements of representative ions with their response ratios from the MS(1) spectra or representative product ions from the second-stage mass spectra (MS(2) spectra). To evaluate the applicability of the workflow in real samples, three matrices of apple, spinach, and scallion, each spiked with 165 test pesticides in a set of concentrations, were selected as the models. The results showed that the use of high-resolution TOF enabled effective extractions of spectra from noisy chromatograms, which was based on a narrow mass window (5 mDa) and suspected-target compounds identified by the similarity match of deconvoluted full mass spectra and filtering of linear RIs. On average, over 74% of pesticides at 50 ng/mL could be identified using deconvolution and the RI/MS library. Over 80% of pesticides at 5 ng/mL or lower concentrations could be confirmed in each matrix using at least two representative ions with their response ratios from the MS(1) spectra. In addition, the application of product ion spectra was capable of confirming suspected pesticides with specificity for some pesticides in complicated matrices. In conclusion, GC-QTOF MS combined with the RI/MS library seems to be one of the most efficient tools for the analysis of suspected-target pesticide residues

Design and Development of a Spectral Library for Different Vegetation and Landcover Types for Arctic, Antarctic and Chihuahua Desert Ecosystem

Science.gov (United States)

Matharasi, K.; Goswami, S.; Gamon, J.; Vargas, S.; Marin, R.; Lin, D.; Tweedie, C. E.

2008-12-01

All objects on the Earth's surface absorb and reflect portions of the electromagnetic spectrum. Depending on the composition of the material, every material has its characteristic spectral profile. The characteristic spectral profile for vegetation is often used to study how vegetation patterns at large spatial scales affect ecosystem structure and function. Analysis of spectroscopic data from the laboratory, and from various other platforms like aircraft or spacecraft, requires a knowledge base that consists of different characteristic spectral profiles for known different materials. This study reports on establishment of an online and searchable spectral library for a range of plant species and landcover types in the Arctic, Anatarctic and Chihuahuan desert ecosystems. Field data were collected from Arctic Alaska, the Antarctic Peninsula and the Chihuahuan desert in the visible to near infrared (IR) range using a handheld portable spectrometer. The data have been archived in a database created using postgre sql with have been made publicly available on a plone web-interface. This poster describes the data collected in more detail and offers instruction to users who wish to make use of this free online resource.

MzJava: An open source library for mass spectrometry data processing.

Science.gov (United States)

Horlacher, Oliver; Nikitin, Frederic; Alocci, Davide; Mariethoz, Julien; Müller, Markus; Lisacek, Frederique

2015-11-03

Mass spectrometry (MS) is a widely used and evolving technique for the high-throughput identification of molecules in biological samples. The need for sharing and reuse of code among bioinformaticians working with MS data prompted the design and implementation of MzJava, an open-source Java Application Programming Interface (API) for MS related data processing. MzJava provides data structures and algorithms for representing and processing mass spectra and their associated biological molecules, such as metabolites, glycans and peptides. MzJava includes functionality to perform mass calculation, peak processing (e.g. centroiding, filtering, transforming), spectrum alignment and clustering, protein digestion, fragmentation of peptides and glycans as well as scoring functions for spectrum-spectrum and peptide/glycan-spectrum matches. For data import and export MzJava implements readers and writers for commonly used data formats. For many classes support for the Hadoop MapReduce (hadoop.apache.org) and Apache Spark (spark.apache.org) frameworks for cluster computing was implemented. The library has been developed applying best practices of software engineering. To ensure that MzJava contains code that is correct and easy to use the library's API was carefully designed and thoroughly tested. MzJava is an open-source project distributed under the AGPL v3.0 licence. MzJava requires Java 1.7 or higher. Binaries, source code and documentation can be downloaded from http://mzjava.expasy.org and https://bitbucket.org/sib-pig/mzjava. This article is part of a Special Issue entitled: Computational Proteomics. Copyright © 2015 Elsevier B.V. All rights reserved.

MS2Analyzer: A Software for Small Molecule Substructure Annotations from Accurate Tandem Mass Spectra

Science.gov (United States)

2015-01-01

Systematic analysis and interpretation of the large number of tandem mass spectra (MS/MS) obtained in metabolomics experiments is a bottleneck in discovery-driven research. MS/MS mass spectral libraries are small compared to all known small molecule structures and are often not freely available. MS2Analyzer was therefore developed to enable user-defined searches of thousands of spectra for mass spectral features such as neutral losses, m/z differences, and product and precursor ions from MS/MS spectra in MSP/MGF files. The software is freely available at http://fiehnlab.ucdavis.edu/projects/MS2Analyzer/. As the reference query set, 147 literature-reported neutral losses and their corresponding substructures were collected. This set was tested for accuracy of linking neutral loss analysis to substructure annotations using 19 329 accurate mass tandem mass spectra of structurally known compounds from the NIST11 MS/MS library. Validation studies showed that 92.1 ± 6.4% of 13 typical neutral losses such as acetylations, cysteine conjugates, or glycosylations are correct annotating the associated substructures, while the absence of mass spectra features does not necessarily imply the absence of such substructures. Use of this tool has been successfully demonstrated for complex lipids in microalgae. PMID:25263576

Global Learning Spectral Archive- A new Way to deal with Unknown Urban Spectra -

Science.gov (United States)

Jilge, M.; Heiden, U.; Habermeyer, M.; Jürgens, C.

2015-12-01

Rapid urbanization processes and the need of identifying urban materials demand urban planners and the remote sensing community since years. Urban planners cannot overcome the issue of up-to-date information of urban materials due to time-intensive fieldwork. Hyperspectral remote sensing can facilitate this issue by interpreting spectral signals to provide information of occurring materials. However, the complexity of urban areas and the occurrence of diverse urban materials vary due to regional and cultural aspects as well as the size of a city, which makes identification of surface materials a challenging analysis task. For the various surface material identification approaches, spectral libraries containing pure material spectra are commonly used, which are derived from field, laboratory or the hyperspectral image itself. One of the requirements for successful image analysis is that all spectrally different surface materials are represented by the library. Currently, a universal library, applicable in every urban area worldwide and taking each spectral variability into account, is and will not be existent. In this study, the issue of unknown surface material spectra and the demand of an urban site-specific spectral library is tackled by the development of a learning spectral archive tool. Starting with an incomplete library of labelled image spectra from several German cities, surface materials of pure image pixels will be identified in a hyperspectral image based on a similarity measure (e.g. SID-SAM). Additionally, unknown image spectra of urban objects are identified based on an object- and spectral-based-rule set. The detected unknown surface material spectra are entered with additional metadata, such as regional occurrence into the existing spectral library and thus, are reusable for further studies. Our approach is suitable for pure surface material detection of urban hyperspectral images that is globally applicable by taking incompleteness into account

The optical + infrared L dwarf spectral sequence of young planetary-mass objects in the Upper Scorpius association

Science.gov (United States)

Lodieu, N.; Zapatero Osorio, M. R.; Béjar, V. J. S.; Peña Ramírez, K.

2018-01-01

We present the results of photometric and spectroscopic follow-ups of the lowest mass member candidates in the nearest OB association, Upper Scorpius (∼5-10 Myr; 145 ± 17 pc), with the Gran Telescopio de Canarias (GTC) and European Southern Observatory (ESO) Very Large Telescope (VLT). We confirm the membership of the large majority (>80 per cent) of candidates originally selected photometrically and astrometrically based on their spectroscopic features, weak equivalent widths of gravity-sensitive doublets and radial velocities. Confirmed members follow a sequence over a wide magnitude range (J = 17.0-19.3 mag) in several colour-magnitude diagrams with optical, near- and mid-infrared photometry and have near-infrared spectral types in the L1-L7 interval with likely masses below 15 Jupiter masses. We find that optical spectral types tend to be earlier than near-infrared spectral types by a few subclasses for spectral types later than M9. We investigate the behaviour of spectral indices, defined in the literature as a function of spectral type and gravity, by comparison with values reported in the literature for young and old dwarfs. We also derive effective temperatures in the 1900-1600 K range from fits of synthetic model-atmosphere spectra to the observed photometry, but we caution that the procedure carries large uncertainties. We determine bolometric corrections for young L dwarfs with ages of ∼5-10 Myr (Upper Sco association) and find them to be similar in the J band but larger by 0.1-0.4 mag in the K band with respect to field L dwarfs. Finally, we discover two faint young L dwarfs, Visible and Infrared Survey Telescope for Astronomy (VISTA) J1607-2146 (L4.5) and VISTA J1611-2215 (L5), that have Hα emission and possible flux excesses at 4.5 μm, pointing to the presence of accretion from a disc on to the central objects of mass below ∼15MJup at an age of 5-10 Myr.

Library Design-Facilitated High-Throughput Sequencing of Synthetic Peptide Libraries.

Science.gov (United States)

Vinogradov, Alexander A; Gates, Zachary P; Zhang, Chi; Quartararo, Anthony J; Halloran, Kathryn H; Pentelute, Bradley L

2017-11-13

A methodology to achieve high-throughput de novo sequencing of synthetic peptide mixtures is reported. The approach leverages shotgun nanoliquid chromatography coupled with tandem mass spectrometry-based de novo sequencing of library mixtures (up to 2000 peptides) as well as automated data analysis protocols to filter away incorrect assignments, noise, and synthetic side-products. For increasing the confidence in the sequencing results, mass spectrometry-friendly library designs were developed that enabled unambiguous decoding of up to 600 peptide sequences per hour while maintaining greater than 85% sequence identification rates in most cases. The reliability of the reported decoding strategy was additionally confirmed by matching fragmentation spectra for select authentic peptides identified from library sequencing samples. The methods reported here are directly applicable to screening techniques that yield mixtures of active compounds, including particle sorting of one-bead one-compound libraries and affinity enrichment of synthetic library mixtures performed in solution.

SPAM- SPECTRAL ANALYSIS MANAGER (UNIX VERSION)

Science.gov (United States)

Solomon, J. E.

1994-01-01

The Spectral Analysis Manager (SPAM) was developed to allow easy qualitative analysis of multi-dimensional imaging spectrometer data. Imaging spectrometers provide sufficient spectral sampling to define unique spectral signatures on a per pixel basis. Thus direct material identification becomes possible for geologic studies. SPAM provides a variety of capabilities for carrying out interactive analysis of the massive and complex datasets associated with multispectral remote sensing observations. In addition to normal image processing functions, SPAM provides multiple levels of on-line help, a flexible command interpretation, graceful error recovery, and a program structure which can be implemented in a variety of environments. SPAM was designed to be visually oriented and user friendly with the liberal employment of graphics for rapid and efficient exploratory analysis of imaging spectrometry data. SPAM provides functions to enable arithmetic manipulations of the data, such as normalization, linear mixing, band ratio discrimination, and low-pass filtering. SPAM can be used to examine the spectra of an individual pixel or the average spectra over a number of pixels. SPAM also supports image segmentation, fast spectral signature matching, spectral library usage, mixture analysis, and feature extraction. High speed spectral signature matching is performed by using a binary spectral encoding algorithm to separate and identify mineral components present in the scene. The same binary encoding allows automatic spectral clustering. Spectral data may be entered from a digitizing tablet, stored in a user library, compared to the master library containing mineral standards, and then displayed as a timesequence spectral movie. The output plots, histograms, and stretched histograms produced by SPAM can be sent to a lineprinter, stored as separate RGB disk files, or sent to a Quick Color Recorder. SPAM is written in C for interactive execution and is available for two different

A mass and energy conserving spectral element atmospheric dynamical core on the cubed-sphere grid

International Nuclear Information System (INIS)

Taylor, M A; Edwards, J; Thomas, S; Nair, R

2007-01-01

We present results from a conservative formulation of the spectral element method applied to global atmospheric circulation modeling. Exact local conservation of both mass and energy is obtained via a new compatible formulation of the spectral element method. Compatibility insures that the key integral property of the divergence and gradient operators required to show conservation also hold in discrete form. The spectral element method is used on a cubed-sphere grid to discretize the horizontal directions on the sphere. It can be coupled to any conservative vertical/radial discretization. The accuracy and conservation properties of the method are illustrated using a baroclinic instability test case

TOF plotter - a program to perform routine analysis time-of-flight mass spectral data

International Nuclear Information System (INIS)

Knippel, Brad C.; Padgett, Clifford W.; Marcus, R. Kenneth

2004-01-01

The main article discusses the operation and application of the program to mass spectral data files. This laboratory has recently reported the construction and characterization of a linear time-of-flight mass spectrometer (ToF-MS) utilizing a radio frequency glow discharge ionization source. Data acquisition and analysis was performed using a digital oscilloscope and Microsoft Excel, respectively. Presently, no software package is available that is specifically designed for time-of-flight mass spectral analysis that is not instrument dependent. While spreadsheet applications such as Excel offer tremendous utility, they can be cumbersome when repeatedly performing tasks which are too complex or too user intensive for macros to be viable. To address this situation and make data analysis a faster, simpler task, our laboratory has developed a Microsoft Windows-based software program coded in Microsoft Visual Basic. This program enables the user to rapidly perform routine data analysis tasks such as mass calibration, plotting and smoothing on x-y data sets. In addition to a suite of tools for data analysis, a number of calculators are built into the software to simplify routine calculations pertaining to linear ToF-MS. These include mass resolution, ion kinetic energy and single peak identification calculators. A detailed description of the software and its associated functions is presented followed by a characterization of its performance in the analysis of several representative ToF-MS spectra obtained from different GD-ToF-MS systems

The mass spectral density in quantitative time-of-flight mass spectrometry of polymers

Science.gov (United States)

Tate, Ranjeet S.; Ebeling, Dan; Smith, Lloyd M.

2001-03-01

Time-of-flight mass spectrometry (TOF-MS) is being increasingly used for the study of polymers, for example to obtain the distribution of molecular masses for polymer samples. Serious efforts have also been underway to use TOF-MS for DNA sequencing. In TOF-MS the data is obtained in the form of a time-series that represents the distribution in arrival times of ions of various m/z ratios. This time-series data is then converted to a "mass-spectrum" via a coordinate transformation from the arrival time (t) to the corresponding mass-to-charge ratio (m/z = const. t^2). In this transformation, it is important to keep in mind that spectra are distributions, or densities of weight +1, and thus do not transform as functions. To obtain the mass-spectral density, it is necessary to include a multiplicative factor of √m/z. Common commercial instruments do not take this factor into account. Dropping this factor has no effect on qualitative analysis (detection) or local quantitative measurements, since S/N or signal-to-baseline ratios are unaffected for peaks with small dispersions. However, there are serious consequences for general quantitative analyses. In DNA sequencing applications, loss of signal intensity is in part attributed to multiple charging; however, since the √m/z factor is not taken into account, this conclusion is based on an overestimate (by a factor of √z) of the relative amount of the multiply charged species. In the study of polymers, the normalized dispersion is underestimated by approximately (M_w/Mn -1)/2. In terms of M_w/Mn itself, for example, a M_w/M_n=1.5 calculated without the √m factor corresponds in fact to a M_w/M_n=1.88.

Mass anomalous dimension of SU(2) with Nf=8 using the spectral density method

DEFF Research Database (Denmark)

Suorsa, Joni M.; Leino, Viljami; Rantaharju, Jarno

2015-01-01

SU(2) with Nf=8 is believed to have an infrared conformal fixed point. We use the spectral density method to evaluate the coupling constant dependence of the mass anomalous dimension for massless HEX smeared, clover improved Wilson fermions with Schr\\"odinger functional boundary conditions....

Morphological Interpretation of Reflectance Spectrum (MIRS using libraries looking towards soil classification

Directory of Open Access Journals (Sweden)

José Alexandre Melo Demattê

2014-12-01

Full Text Available The search for tools to perform soil surveying faster and cheaper has led to the development of technological innovations such as remote sensing (RS and the so-called spectral libraries in recent years. However, there are no studies which collate all the RS background to demonstrate how to use this technology for soil classification. The present study aims to describe a simple method of how to classify soils by the morphology of spectra associated with a quantitative view (400-2,500 nm. For this, we constructed three spectral libraries: (i one for quantitative model performance; (ii a second to function as the spectral patterns; and (iii a third to serve as a validation stage. All samples had their chemical and granulometric attributes determined by laboratory analysis and prediction models were created based on soil spectra. The system is based on seven steps summarized as follows: i interpretation of the spectral curve intensity; ii observation of the general shape of curves; iii evaluation of absorption features; iv comparison of spectral curves between the same profile horizons; v quantification of soil attributes by spectral library models; vi comparison of a pre-existent spectral library with unknown profile spectra; vii most probable soil classification. A soil cannot be classified from one spectral curve alone. The behavior between the horizons of a profile, however, was correlated with its classification. In fact, the validation showed 85 % accuracy between the Morphological Interpretation of Reflectance Spectrum (MIRS method and the traditional classification, showing the importance and potential of a combination of descriptive and quantitative evaluations.

Novel strategy for the determination of illegal adulterants in health foods and herbal medicines using high-performance liquid chromatography with high-resolution mass spectrometry.

Science.gov (United States)

Wang, Zhe; Wu, Caisheng; Wang, Gangli; Zhang, Qingsheng; Zhang, Jinlan

2015-03-01

The detection, confirmation, and quantification of multiple illegal adulterants in health foods and herbal medicines by using a single analytical method are a challenge. This paper reports on a new strategy to meet this challenge by employing high-performance liquid chromatography coupled with high-resolution mass spectrometry and a mass spectral tree similarity filter technique. This analytical method can rapidly collect high-resolution, high-accuracy, optionally multistage mass data for compounds in samples. After a preliminary screening by retention time and high-resolution mass spectral data, known illegal adulterants can be detected. The mass spectral tree similarity filter technique has been applied to rapidly confirm these adulterants and simultaneously discover unknown ones. By using full-scan mass spectra as stem and data-dependent subsequent stage mass spectra to form branches, mass spectrometry data from detected compounds are converted into mass spectral trees. The known or unknown illegal adulterants in the samples are confirmed or discovered based on the similarity between their mass spectral trees and those of the references in a library, and they are finally quantified against standard curves. This new strategy has been tested by using 50 samples, and the illegal adulterants were rapidly and effectively detected, confirmed and quantified. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An open-source library for the numerical modeling of mass-transfer in solid oxide fuel cells

Science.gov (United States)

Novaresio, Valerio; García-Camprubí, María; Izquierdo, Salvador; Asinari, Pietro; Fueyo, Norberto

2012-01-01

The generation of direct current electricity using solid oxide fuel cells (SOFCs) involves several interplaying transport phenomena. Their simulation is crucial for the design and optimization of reliable and competitive equipment, and for the eventual market deployment of this technology. An open-source library for the computational modeling of mass-transport phenomena in SOFCs is presented in this article. It includes several multicomponent mass-transport models ( i.e. Fickian, Stefan-Maxwell and Dusty Gas Model), which can be applied both within porous media and in porosity-free domains, and several diffusivity models for gases. The library has been developed for its use with OpenFOAM ®, a widespread open-source code for fluid and continuum mechanics. The library can be used to model any fluid flow configuration involving multicomponent transport phenomena and it is validated in this paper against the analytical solution of one-dimensional test cases. In addition, it is applied for the simulation of a real SOFC and further validated using experimental data. Program summaryProgram title: multiSpeciesTransportModels Catalogue identifier: AEKB_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKB_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License No. of lines in distributed program, including test data, etc.: 18 140 No. of bytes in distributed program, including test data, etc.: 64 285 Distribution format: tar.gz Programming language:: C++ Computer: Any x86 (the instructions reported in the paper consider only the 64 bit case for the sake of simplicity) Operating system: Generic Linux (the instructions reported in the paper consider only the open-source Ubuntu distribution for the sake of simplicity) Classification: 12 External routines: OpenFOAM® (version 1.6-ext) ( http://www.extend-project.de) Nature of problem: This software provides a library of models for

MRM screening/biomarker discovery with linear ion trap MS: a library of human cancer-specific peptides

International Nuclear Information System (INIS)

Yang, Xu; Lazar, Iulia M

2009-01-01

The discovery of novel protein biomarkers is essential in the clinical setting to enable early disease diagnosis and increase survivability rates. To facilitate differential expression analysis and biomarker discovery, a variety of tandem mass spectrometry (MS/MS)-based protein profiling techniques have been developed. For achieving sensitive detection and accurate quantitation, targeted MS screening approaches, such as multiple reaction monitoring (MRM), have been implemented. MCF-7 breast cancer protein cellular extracts were analyzed by 2D-strong cation exchange (SCX)/reversed phase liquid chromatography (RPLC) separations interfaced to linear ion trap MS detection. MS data were interpreted with the Sequest-based Bioworks software (Thermo Electron). In-house developed Perl-scripts were used to calculate the spectral counts and the representative fragment ions for each peptide. In this work, we report on the generation of a library of 9,677 peptides (p < 0.001), representing ~1,572 proteins from human breast cancer cells, that can be used for MRM/MS-based biomarker screening studies. For each protein, the library provides the number and sequence of detectable peptides, the charge state, the spectral count, the molecular weight, the parameters that characterize the quality of the tandem mass spectrum (p-value, DeltaM, Xcorr, DeltaCn, Sp, no. of matching a, b, y ions in the spectrum), the retention time, and the top 10 most intense product ions that correspond to a given peptide. Only proteins identified by at least two spectral counts are listed. The experimental distribution of protein frequencies, as a function of molecular weight, closely matched the theoretical distribution of proteins in the human proteome, as provided in the SwissProt database. The amino acid sequence coverage of the identified proteins ranged from 0.04% to 98.3%. The highest-abundance proteins in the cellular extract had a molecular weight (MW)<50,000. Preliminary experiments have

Medium-resolution Isaac Newton Telescope library of empirical spectra - II. The stellar atmospheric parameters

NARCIS (Netherlands)

Cenarro, A. J.; Peletier, R. F.; Sanchez-Blazquez, P.; Selam, S. O.; Toloba, E.; Cardiel, N.; Falcon-Barroso, J.; Gorgas, J.; Jimenez-Vicente, J.; Vazdekis, A.

2007-01-01

We present a homogeneous set of stellar atmospheric parameters (T-eff, log g, [Fe/H]) for MILES, a new spectral stellar library covering the range lambda lambda 3525-7500 angstrom at 2.3 angstrom (FWHM) spectral resolution. The library consists of 985 stars spanning a large range in atmospheric

A Global Spectral Study of Stellar-Mass Black Holes with Unprecedented Sensitivity

Science.gov (United States)

Garci, Javier

There are two well established populations of black holes: (i) stellar-mass black holes with masses in the range 5 to 30 solar masses, many millions of which are present in each galaxy in the universe, and (ii) supermassive black holes with masses in the range millions to billions of solar masses, which reside in the nucleus of most galaxies. Supermassive black holes play a leading role in shaping galaxies and are central to cosmology. However, they are hard to study because they are dim and they scarcely vary on a human timescale. Luckily, their variability and full range of behavior can be very effectively studied by observing their stellar-mass cousins, which display in miniature the full repertoire of a black hole over the course of a single year. The archive of data collected by NASA's Rossi X-ray Timing Explorer (RXTE) during its 16 year mission is of first importance for the study of stellar-mass black holes. While our ultimate goal is a complete spectral analysis of all the stellar-mass black hole data in the RXTE archive, the goal of this proposal is the global study of six of these black holes. The two key methodologies we bring to the study are: (1) Our recently developed calibration tool that increases the sensitivity of RXTE's detector by up to an order of magnitude; and (2) the leading X-ray spectral "reflection" models that are arguably the most effective means currently available for probing the effects of strong gravity near the event horizon of a black hole. For each of the six black holes, we will fit our models to all the archived spectral data and determine several key parameters describing the black hole and the 10-million-degree gas that surrounds it. Of special interest will be our measurement of the spin (or rate of rotation) of each black hole, which can be as high as tens of thousands of RPM. Profoundly, all the properties of an astronomical black hole are completely defined by specifying its spin and its mass. The main goal of this

Spectral Mass Gauging of Unsettled Liquid with Acoustic Waves

Science.gov (United States)

Feller, Jeffrey; Kashani, Ali; Khasin, Michael; Muratov, Cyrill; Osipov, Viatcheslav; Sharma, Surendra

2018-01-01

Propellant mass gauging is one of the key technologies required to enable the next step in NASA's space exploration program. At present, there is no reliable method to accurately measure the amount of unsettled liquid propellant of an unknown configuration in a propellant tank in micro- or zero gravity. We propose a new approach to use sound waves to probe the resonance frequencies of the two-phase liquid-gas mixture and take advantage of the mathematical properties of the high frequency spectral asymptotics to determine the volume fraction of the tank filled with liquid. We report the current progress in exploring the feasibility of this approach, both experimental and theoretical. Excitation and detection procedures using solenoids for excitation and both hydrophones and accelerometers for detection have been developed. A 3% uncertainty for mass-gauging was demonstrated for a 200-liter tank partially filled with water for various unsettled configurations, such as tilts and artificial ullages. A new theoretical formula for the counting function associated with axially symmetric modes was derived. Scaling analysis of the approach has been performed to predict an adequate performance for in-space applications.

The Planetary Terrestrial Analogues Library (PTAL)

Science.gov (United States)

Werner, S. C.; Dypvik, H.; Poulet, F.; Rull Perez, F.; Bibring, J.-P.; Bultel, B.; Casanova Roque, C.; Carter, J.; Cousin, A.; Guzman, A.; Hamm, V.; Hellevang, H.; Lantz, C.; Lopez-Reyes, G.; Manrique, J. A.; Maurice, S.; Medina Garcia, J.; Navarro, R.; Negro, J. I.; Neumann, E. R.; Pilorget, C.; Riu, L.; Sætre, C.; Sansano Caramazana, A.; Sanz Arranz, A.; Sobron Grañón, F.; Veneranda, M.; Viennet, J.-C.; PTAL Team

2018-04-01

The Planetary Terrestrial Analogues Library project aims to build and exploit a spectral data base for the characterisation of the mineralogical and geological evolution of terrestrial planets and small solar system bodies.

SPAM- SPECTRAL ANALYSIS MANAGER (DEC VAX/VMS VERSION)

Science.gov (United States)

Solomon, J. E.

1994-01-01

The Spectral Analysis Manager (SPAM) was developed to allow easy qualitative analysis of multi-dimensional imaging spectrometer data. Imaging spectrometers provide sufficient spectral sampling to define unique spectral signatures on a per pixel basis. Thus direct material identification becomes possible for geologic studies. SPAM provides a variety of capabilities for carrying out interactive analysis of the massive and complex datasets associated with multispectral remote sensing observations. In addition to normal image processing functions, SPAM provides multiple levels of on-line help, a flexible command interpretation, graceful error recovery, and a program structure which can be implemented in a variety of environments. SPAM was designed to be visually oriented and user friendly with the liberal employment of graphics for rapid and efficient exploratory analysis of imaging spectrometry data. SPAM provides functions to enable arithmetic manipulations of the data, such as normalization, linear mixing, band ratio discrimination, and low-pass filtering. SPAM can be used to examine the spectra of an individual pixel or the average spectra over a number of pixels. SPAM also supports image segmentation, fast spectral signature matching, spectral library usage, mixture analysis, and feature extraction. High speed spectral signature matching is performed by using a binary spectral encoding algorithm to separate and identify mineral components present in the scene. The same binary encoding allows automatic spectral clustering. Spectral data may be entered from a digitizing tablet, stored in a user library, compared to the master library containing mineral standards, and then displayed as a timesequence spectral movie. The output plots, histograms, and stretched histograms produced by SPAM can be sent to a lineprinter, stored as separate RGB disk files, or sent to a Quick Color Recorder. SPAM is written in C for interactive execution and is available for two different

ZZ-CENPL, Chinese Evaluated Nuclear Parameter Library. ZZ CENPL-DLS, Discrete Level Schemes and Gamma Branching Ratios Library; ZZ CENPL-FBP, Fission Barrier Parameter Library; ZZ CENPL-GDRP, Giant Dipole Resonance Parameter Library; ZZ CENPL-NLD, Nuclear Level Density Parameter Library; ZZ CENPL-MCC, Nuclear Ground State Atomic Masses Library; ZZ CENPL-OMP, Optical Model Parameter Library

International Nuclear Information System (INIS)

Su Zongdi

1995-01-01

Description of program or function: CENPL - GDRP (Giant Dipole Resonance Parameters for Gamma-Ray): - Format: special format described in documentation; - Nuclides: V, Mn, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Rb, Sr, Y, Zr, Nb, Mo, Rh, Pd, Ag, Cd, In, Sn, Sb, Te, I, Cs, Ba, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Ho, Er, Lu, Ta, W, Re, Os, Ir, Pt, Au, Hg, Pb, Bi, Th, U, Np, Pu. - Origin: Experimental values offered by S.S. Dietrich and B.L. Berman. CENPL - FBP (Fission Barrier Parameter Sub-Library): - Format: special format described in documentation; - Nuclides: (1) 51 nuclei region from Th-230 to Cf-255, (2) 46 nuclei region from Th-229 to Cf-253, (3) 24 nuclei region from Pa-232 to Cf-253; - Origin: (1) Lynn, (2) Analysis of experimental data by Back et al., (3) Ohsawa. CENPL - DLS (Discrete level scheme and branch ratio of gamma decay: - Format: Special format described in documentation; - Origin: ENSDF - BNL. CENPL - NLD (Nuclear Level Density): - Format: Special format described in documentation; - Origin: Huang Zhongfu et al. CENPL - OMP (Optical model parameter sub-library): - Format: special format described in documentation ; - Origin: CENDL, ENDF/B-VI, JENDL-3. CENPL - MC (I) and (II) (Atomic masses and characteristic constants for nuclear ground states) : - Format: Brief table format; - Nuclides: 4760 nuclides ranging from Z=0 A=1 to Z=122 A=318. - Origin: Experimental data and systematic results evaluated by Wapstra, theoretical results calculated by Moller, ENSDF - BNL and Nuclear Wallet Cards. CENPL contains the following six sub-libraries: 1. Atomic Masses and Characteristic Constants for nuclear ground states (MCC). This data consists of calculated and in most cases also measured mass excesses, atomic masses, total binding energies, spins, parities, and half-lives of nuclear ground states, abundances, etc. for 4800 nuclides. 2. Discrete Level Schemes and branching ratios of gamma decay (DLS). The data on nuclear discrete levels are based on the Evaluated

Extension of least squares spectral resolution algorithm to high-resolution lipidomics data

Energy Technology Data Exchange (ETDEWEB)

Zeng, Ying-Xu [Department of Chemistry, University of Bergen, PO Box 7803, N-5020 Bergen (Norway); Mjøs, Svein Are, E-mail: svein.mjos@kj.uib.no [Department of Chemistry, University of Bergen, PO Box 7803, N-5020 Bergen (Norway); David, Fabrice P.A. [Bioinformatics and Biostatistics Core Facility, School of Life Sciences, Ecole Polytechnique Fédérale de Lausanne (EPFL) and Swiss Institute of Bioinformatics (SIB), Lausanne (Switzerland); Schmid, Adrien W. [Proteomics Core Facility, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne (Switzerland)

2016-03-31

Lipidomics, which focuses on the global study of molecular lipids in biological systems, has been driven tremendously by technical advances in mass spectrometry (MS) instrumentation, particularly high-resolution MS. This requires powerful computational tools that handle the high-throughput lipidomics data analysis. To address this issue, a novel computational tool has been developed for the analysis of high-resolution MS data, including the data pretreatment, visualization, automated identification, deconvolution and quantification of lipid species. The algorithm features the customized generation of a lipid compound library and mass spectral library, which covers the major lipid classes such as glycerolipids, glycerophospholipids and sphingolipids. Next, the algorithm performs least squares resolution of spectra and chromatograms based on the theoretical isotope distribution of molecular ions, which enables automated identification and quantification of molecular lipid species. Currently, this methodology supports analysis of both high and low resolution MS as well as liquid chromatography-MS (LC-MS) lipidomics data. The flexibility of the methodology allows it to be expanded to support more lipid classes and more data interpretation functions, making it a promising tool in lipidomic data analysis. - Highlights: • A flexible strategy for analyzing MS and LC-MS data of lipid molecules is proposed. • Isotope distribution spectra of theoretically possible compounds were generated. • High resolution MS and LC-MS data were resolved by least squares spectral resolution. • The method proposed compounds that are likely to occur in the analyzed samples. • The proposed compounds matched results from manual interpretation of fragment spectra.

Extension of least squares spectral resolution algorithm to high-resolution lipidomics data

International Nuclear Information System (INIS)

Zeng, Ying-Xu; Mjøs, Svein Are; David, Fabrice P.A.; Schmid, Adrien W.

2016-01-01

Lipidomics, which focuses on the global study of molecular lipids in biological systems, has been driven tremendously by technical advances in mass spectrometry (MS) instrumentation, particularly high-resolution MS. This requires powerful computational tools that handle the high-throughput lipidomics data analysis. To address this issue, a novel computational tool has been developed for the analysis of high-resolution MS data, including the data pretreatment, visualization, automated identification, deconvolution and quantification of lipid species. The algorithm features the customized generation of a lipid compound library and mass spectral library, which covers the major lipid classes such as glycerolipids, glycerophospholipids and sphingolipids. Next, the algorithm performs least squares resolution of spectra and chromatograms based on the theoretical isotope distribution of molecular ions, which enables automated identification and quantification of molecular lipid species. Currently, this methodology supports analysis of both high and low resolution MS as well as liquid chromatography-MS (LC-MS) lipidomics data. The flexibility of the methodology allows it to be expanded to support more lipid classes and more data interpretation functions, making it a promising tool in lipidomic data analysis. - Highlights: • A flexible strategy for analyzing MS and LC-MS data of lipid molecules is proposed. • Isotope distribution spectra of theoretically possible compounds were generated. • High resolution MS and LC-MS data were resolved by least squares spectral resolution. • The method proposed compounds that are likely to occur in the analyzed samples. • The proposed compounds matched results from manual interpretation of fragment spectra.

Spectral-Timing Analysis of Kilohetrz Quasi-Periodic Osciallations in Neutron Star Low-Mass X-ray Binaries

Science.gov (United States)

Cackett, Edward; Troyer, Jon; Peille, Philippe; Barret, Didier

2018-01-01

Kilohertz quasi-periodic oscillations or kHz QPOs are intensity variations that occur in the X-ray band observed in neutron star low-mass X-ray binary (LMXB) systems. In such systems, matter is transferred from a secondary low-mass star to a neutron star via the process of accretion. kHz QPOs occur on the timescale of the inner accretion flow and may carry signatures of the physics of strong gravity (c2 ~ GM/R) and possibly clues to constraining the neutron star equation of state (EOS). Both the timing behavior of kHz QPOs and the time-averaged spectra of these systems have been studied extensively. No model derived from these techniques has been able to illuminate the origin of kHz QPOs. Spectral-timing is an analysis technique that can be used to derive information about the nature of physical processes occurring within the accretion flow on the timescale of the kHz QPO. To date, kHz QPOs of (4) neutron star LMXB systems have been studied with spectral-timing techniques. We present a comprehensive study of spectral-timing products of kHz QPOs from systems where data is available in the RXTE archive to demonstrate the promise of this technique to gain insights regarding the origin of kHz QPOs. Using data averaged over the entire RXTE archive, we show correlated time-lags as a function of QPO frequency and energy, as well as energy-dependent covariance spectra for the various LMXB systems where spectral-timing analysis is possible. We find similar trends in all average spectral-timing products for the objects studied. This suggests a common origin of kHz QPOs.

Black Hole Mass Determination In the X-Ray Binary 4U 1630-47: Scaling of Spectral and Variability Characteristics

Science.gov (United States)

Seifina, Elena; Titarchuk, Lev; Shaposhnikov, Nikolai

2014-01-01

We present the results of a comprehensive investigation on the evolution of spectral and timing properties of the Galactic black hole candidate 4U 1630-47 during its spectral transitions. In particular, we show how a scaling of the correlation of the photon index of the Comptonized spectral component gamma with low-frequency quasi-periodic oscillations (QPOs), ?(sub L), and mass accretion rate, M, can be applied to the black hole mass and the inclination angle estimates.We analyze the transition episodes observed with the Rossi X-Ray Timing Explorer and BeppoSAX satellites.We find that the broadband X-ray energy spectra of 4U 1630-47 during all spectral states can be modeled by a combination of a thermal component, a Comptonized component, and a red-skewed iron-line component. We also establish that gamma monotonically increases during transition from the low-hard state to the high-soft state and then saturates for high mass accretion rates. The index saturation levels vary for different transition episodes. Correlations of gamma versus ?(sub L) also show saturation at gamma (is) approximately 3. Gamma -M and gamma -?(sub L) correlations with their index saturation revealed in 4U 1630-47 are similar to those established in a number of other black hole candidates and can be considered as an observational evidence for the presence of a black hole in these sources. The scaling technique, which relies on XTE J1550-564, GRO 1655-40, and H1743-322 as reference sources, allows us to evaluate a black hole mass in 4U 1630-47 yielding M(sub BH) (is) approximately 10 +/- 0.1 solar masses and to constrain the inclination angle of i (is) approximately less than 70 deg.

High-throughput screening of small molecule libraries using SAMDI mass spectrometry.

Science.gov (United States)

Gurard-Levin, Zachary A; Scholle, Michael D; Eisenberg, Adam H; Mrksich, Milan

2011-07-11

High-throughput screening is a common strategy used to identify compounds that modulate biochemical activities, but many approaches depend on cumbersome fluorescent reporters or antibodies and often produce false-positive hits. The development of "label-free" assays addresses many of these limitations, but current approaches still lack the throughput needed for applications in drug discovery. This paper describes a high-throughput, label-free assay that combines self-assembled monolayers with mass spectrometry, in a technique called SAMDI, as a tool for screening libraries of 100,000 compounds in one day. This method is fast, has high discrimination, and is amenable to a broad range of chemical and biological applications.

Organization of GC/MS and LC/MS metabolomics data into chemical libraries

Directory of Open Access Journals (Sweden)

DeHaven Corey D

2010-10-01

Full Text Available Abstract Background Metabolomics experiments involve generating and comparing small molecule (metabolite profiles from complex mixture samples to identify those metabolites that are modulated in altered states (e.g., disease, drug treatment, toxin exposure. One non-targeted metabolomics approach attempts to identify and interrogate all small molecules in a sample using GC or LC separation followed by MS or MSn detection. Analysis of the resulting large, multifaceted data sets to rapidly and accurately identify the metabolites is a challenging task that relies on the availability of chemical libraries of metabolite spectral signatures. A method for analyzing spectrometry data to identify and Quantify Individual Components in a Sample, (QUICS, enables generation of chemical library entries from known standards and, importantly, from unknown metabolites present in experimental samples but without a corresponding library entry. This method accounts for all ions in a sample spectrum, performs library matches, and allows review of the data to quality check library entries. The QUICS method identifies ions related to any given metabolite by correlating ion data across the complete set of experimental samples, thus revealing subtle spectral trends that may not be evident when viewing individual samples and are likely to be indicative of the presence of one or more otherwise obscured metabolites. Results LC-MS/MS or GC-MS data from 33 liver samples were analyzed simultaneously which exploited the inherent biological diversity of the samples and the largely non-covariant chemical nature of the metabolites when viewed over multiple samples. Ions were partitioned by both retention time (RT and covariance which grouped ions from a single common underlying metabolite. This approach benefitted from using mass, time and intensity data in aggregate over the entire sample set to reject outliers and noise thereby producing higher quality chemical identities. The

Fragment-Based Screening of a Natural Product Library against 62 Potential Malaria Drug Targets Employing Native Mass Spectrometry

Science.gov (United States)

2018-01-01

Natural products are well known for their biological relevance, high degree of three-dimensionality, and access to areas of largely unexplored chemical space. To shape our understanding of the interaction between natural products and protein targets in the postgenomic era, we have used native mass spectrometry to investigate 62 potential protein targets for malaria using a natural-product-based fragment library. We reveal here 96 low-molecular-weight natural products identified as binding partners of 32 of the putative malarial targets. Seventy-nine (79) fragments have direct growth inhibition on Plasmodium falciparum at concentrations that are promising for the development of fragment hits against these protein targets. This adds a fragment library to the published HTS active libraries in the public domain. PMID:29436819

Library and Education

Directory of Open Access Journals (Sweden)

Gheorghe Buluţă

2011-01-01

Full Text Available The psycho-social phenomena generated by mass-media and the new information and communication technologies at the level of the young generations have led to new communication practices that bypass libraries and revolutionized the intellectual labor practices, with texts being rather used than read. In this context, our article examines the need to increase the library's role in developing the quality of education and research and brings to attention a few possible solutions which include a partnership between various types of libraries and between librarians' associations and NGOs to facilitate education through library and safeguard reading.

Diagnostic spectral characteristics of damouritization in granite type uranium deposit

International Nuclear Information System (INIS)

He Jianguo; Mao Yuxian; Li Jianzhong; Wang Changliang; Feng Mingyue; Rong Jiashu; Zhu Minqiang; Rao Minghui

2008-01-01

Spectral characteristics of different alteration type in uranium deposit are the prerequisite of selecting remote sensing spectral bands for uranium reconnaissance and exploration. It is also a basis for mapping alteration zone using imaging spectral data. Taking the No. 201 uranium deposit as example, the paper is focused on the spectral characteristics researching of damouritization in granite type uranium deposite. Through extracting diagnostic spectral feature of damourite and analyzing the reason causing absorption valley, it was found that spectral characteristics of damouritization in Chinese uranium deposit is different from that of illite in the spectral library published abroad. (authors)

Diagnostic spectral characteristics of damouritization in granite type uranium deposit

Energy Technology Data Exchange (ETDEWEB)

Jianguo, He; Yuxian, Mao; Jianzhong, Li; Changliang, Wang; Mingyue, Feng; Jiashu, Rong [Beijing Research Inst. of Uranium Geology, Beijing (China); Minqiang, Zhu; Minghui, Rao [East China Univ. of Technology, Fuzhou (China)

2008-07-15

Spectral characteristics of different alteration type in uranium deposit are the prerequisite of selecting remote sensing spectral bands for uranium reconnaissance and exploration. It is also a basis for mapping alteration zone using imaging spectral data. Taking the No. 201 uranium deposit as example, the paper is focused on the spectral characteristics researching of damouritization in granite type uranium deposite. Through extracting diagnostic spectral feature of damourite and analyzing the reason causing absorption valley, it was found that spectral characteristics of damouritization in Chinese uranium deposit is different from that of illite in the spectral library published abroad. (authors)

Use of multispectral satellite imagery and hyperspectral endmember libraries for urban land cover mapping at the metropolitan scale

Science.gov (United States)

Priem, Frederik; Okujeni, Akpona; van der Linden, Sebastian; Canters, Frank

2016-10-01

The value of characteristic reflectance features for mapping urban materials has been demonstrated in many experiments with airborne imaging spectrometry. Analysis of larger areas requires satellite-based multispectral imagery, which typically lacks the spatial and spectral detail of airborne data. Consequently the need arises to develop mapping methods that exploit the complementary strengths of both data sources. In this paper a workflow for sub-pixel quantification of Vegetation-Impervious-Soil urban land cover is presented, using medium resolution multispectral satellite imagery, hyperspectral endmember libraries and Support Vector Regression. A Landsat 8 Operational Land Imager surface reflectance image covering the greater metropolitan area of Brussels is selected for mapping. Two spectral libraries developed for the cities of Brussels and Berlin based on airborne hyperspectral APEX and HyMap data are used. First the combined endmember library is resampled to match the spectral response of the Landsat sensor. The library is then optimized to avoid spectral redundancy and confusion. Subsequently the spectra of the endmember library are synthetically mixed to produce training data for unmixing. Mapping is carried out using Support Vector Regression models trained with spectra selected through stratified sampling of the mixed library. Validation on building block level (mean size = 46.8 Landsat pixels) yields an overall good fit between reference data and estimation with Mean Absolute Errors of 0.06, 0.06 and 0.08 for vegetation, impervious and soil respectively. Findings of this work may contribute to the use of universal spectral libraries for regional scale land cover fraction mapping using regression approaches.

FUNDAMENTAL PARAMETERS AND SPECTRAL ENERGY DISTRIBUTIONS OF YOUNG AND FIELD AGE OBJECTS WITH MASSES SPANNING THE STELLAR TO PLANETARY REGIME

Energy Technology Data Exchange (ETDEWEB)

Filippazzo, Joseph C.; Rice, Emily L. [Department of Engineering Science and Physics, College of Staten Island, City University of New York, 2800 Victory Blvd, Staten Island, NY 10314 (United States); Faherty, Jacqueline; Cruz, Kelle L. [Department of Astrophysics, American Museum of Natural History, New York, NY 10024 (United States); Van Gordon, Mollie M. [Department of Geography, University of California, Berkeley, CA 94720 (United States); Looper, Dagny L. [Tisch School of the Arts, New York University, New York, NY 10003 (United States)

2015-09-10

We combine optical, near-infrared, and mid-infrared spectra and photometry to construct expanded spectral energy distributions for 145 field age (>500 Myr) and 53 young (lower age estimate <500 Myr) ultracool dwarfs (M6-T9). This range of spectral types includes very low mass stars, brown dwarfs, and planetary mass objects, providing fundamental parameters across both the hydrogen and deuterium burning minimum masses for the largest sample assembled to date. A subsample of 29 objects have well constrained ages as probable members of a nearby young moving group. We use 182 parallaxes and 16 kinematic distances to determine precise bolometric luminosities (L{sub bol}) and radius estimates from evolutionary models give semi-empirical effective temperatures (T{sub eff}) for the full range of young and field age late-M, L, and T dwarfs. We construct age-sensitive relationships of luminosity, temperature, and absolute magnitude as functions of spectral type and absolute magnitude to disentangle the effects of degenerate physical parameters such as T{sub eff}, surface gravity, and clouds on spectral morphology. We report bolometric corrections in J for both field age and young objects and find differences of up to a magnitude for late-L dwarfs. Our correction in Ks shows a larger dispersion but not necessarily a different relationship for young and field age sequences. We also characterize the NIR–MIR reddening of low gravity L dwarfs and identify a systematically cooler T{sub eff} of up to 300 K from field age objects of the same spectral type and 400 K cooler from field age objects of the same M{sub H} magnitude.

VO-compliant libraries of high resolution spectra of cool stars

Science.gov (United States)

Montes, D.

2008-10-01

In this contribution we describe a Virtual Observatory (VO) compliant version of the libraries of high resolution spectra of cool stars described by Montes et al. (1997; 1998; and 1999). Since their publication the fully reduced spectra in FITS format have been available via ftp and in the World Wide Web. However, in the VO all the spectra will be accessible using a common web interface following the standards of the International Virtual Observatory Alliance (IVOA). These libraries include F, G, K and M field stars, from dwarfs to giants. The spectral coverage is from 3800 to 10000 Å, with spectral resolution ranging from 0.09 to 3.0 Å.

Measurement of the strangeness spectral function and the mass of the strange quark in hadronic τ decays with the OPAL detector

International Nuclear Information System (INIS)

Mader, W.

2004-03-01

Tau lepton decays with open strangeness in the final state are measured with the Opal detector at LEP to determine the strange hadronic spectral function of the τ lepton and the mass of the strange quark. The decays τ - → (Kπ) - ν τ , (Kππ) - ν τ and (Kπππ) - ν τ with final states consisting of neutral and charged kaons and pions, have been studied. The invariant mass distribution of 93.4% of these final states have been experimentally determined. Monte Carlo simulations have been used for the remaining 6.6% and for the strange final states including η mesons. The reconstructed strange final states, corrected for resolution effects and detection efficiencies, yield the strange spectral function of the τ lepton. The moments of the spectral function and the ratio of strange to non-strange moments, which are important input parameters for theoretical analyses, are determined. Furthermore, the branching fractions B(τ - → K - π 0 ν τ ) = (0.471 ± 0.064 stat ± 0.021 sys )%, B(τ - → K - π + π - ν τ ) = (0.415 ± 0.059 stat ± 0.031 sys )% have been measured. From the CKM weighted difference of strange and non-strange spectral moments, the mass of the strange quark at the τ mass scale has been determined: m s (m τ 2 ) = (84 ± 14 exp ± 6 V us ± 17 theo ) MeV. Evolving this result to customary scales yields m s (1 GeV 2 ) = (111 -35 +26 ) MeV, m s (4 GeV 2 ) = (82 -25 +19 ) MeV. (orig.)

All-Sky Spectrally Matched UBVRI - ZY and u‧ g‧ r‧ i‧ z‧ Magnitudes for Stars in the Tycho2 Catalog

Science.gov (United States)

Pickles, A.; Depagne, É.

2010-12-01

We present fitted UBVRI - ZY and u‧ g‧ r‧ i‧ z‧ magnitudes, spectral types, and distances for 2.4 million stars, derived from synthetic photometry of a library spectrum that best matches the Tycho2 BT VT, NOMAD RN, and 2MASS JHK2/S catalog magnitudes. We present similarly synthesized multifilter magnitudes, types, and distances for 4.8 million stars with 2MASS and SDSS photometry to g digital images with fields of view of 0.5° or more. Using several such standards per field, automatic flux calibration can be achieved to a few percent in any filter, at any air mass, in most workable observing conditions, to facilitate intercomparison of data from different sites, telescopes, and instruments.

Rapid identification and quantitation of compounds with forensic interest using fast liquid chromatography-ion trap mass spectrometry and library searching.

Science.gov (United States)

Pihlainen, Katja; Sippola, Erkki; Kostiainen, Risto

2003-04-25

A fast liquid chromatography-electrospray tandem mass spectrometric (LC-ESI-MS-MS) method by using a monolithic column, gradient elution and ion trap mass spectrometer was developed for 14 forensically interesting and chemically different compounds. All compounds were eluted within 2.5 min and the total analysis time was 5 min including stabilisation time required for the next injection. All the compounds, basics, neutrals and acids were efficiently ionised by positive ion ESI. A laboratory library including MS-MS spectra and retention times was developed and tested. Results with 476 standard samples and 50 authentic samples showed that the compounds studied can be unambiguously identified with the library. A quantitative method was developed for the compounds using external calibration. The evaluation process showed good linearity of the method and reasonable repeatability. Limits of detection ranged from 10.0 to 50.0 ng/ml.

Integrated spectral study of small angular diameter galactic open clusters

Science.gov (United States)

Clariá, J. J.; Ahumada, A. V.; Bica, E.; Pavani, D. B.; Parisi, M. C.

2017-10-01

This paper presents flux-calibrated integrated spectra obtained at Complejo Astronómico El Leoncito (CASLEO, Argentina) for a sample of 9 Galactic open clusters of small angular diameter. The spectra cover the optical range (3800-6800 Å), with a resolution of ˜14 Å. With one exception (Ruprecht 158), the selected clusters are projected into the fourth Galactic quadrant (282o evaluate their membership status. The current cluster sample complements that of 46 open clusters previously studied by our group in an effort to gather a spectral library with several clusters per age bin. The cluster spectral library that we have been building is an important tool to tie studies of resolved and unresolved stellar content.

CARS Spectral Fitting with Multiple Resonant Species using Sparse Libraries

Science.gov (United States)

Cutler, Andrew D.; Magnotti, Gaetano

2010-01-01

The dual pump CARS technique is often used in the study of turbulent flames. Fast and accurate algorithms are needed for fitting dual-pump CARS spectra for temperature and multiple chemical species. This paper describes the development of such an algorithm. The algorithm employs sparse libraries, whose size grows much more slowly with number of species than a conventional library. The method was demonstrated by fitting synthetic "experimental" spectra containing 4 resonant species (N2, O2, H2 and CO2), both with noise and without it, and by fitting experimental spectra from a H2-air flame produced by a Hencken burner. In both studies, weighted least squares fitting of signal, as opposed to least squares fitting signal or square-root signal, was shown to produce the least random error and minimize bias error in the fitted parameters.

SpeX spectroscopy of unresolved very low mass binaries. II. Identification of 14 candidate binaries with late-M/early-L and T dwarf components

International Nuclear Information System (INIS)

Bardalez Gagliuffi, Daniella C.; Burgasser, Adam J.; Nicholls, Christine P.; Gelino, Christopher R.; Looper, Dagny L.; Schmidt, Sarah J.; Cruz, Kelle; West, Andrew A.; Gizis, John E.; Metchev, Stanimir

2014-01-01

Multiplicity is a key statistic for understanding the formation of very low mass (VLM) stars and brown dwarfs. Currently, the separation distribution of VLM binaries remains poorly constrained at small separations (≤1 AU), leading to uncertainty in the overall binary fraction. We approach this problem by searching for late-M/early-L plus T dwarf spectral binaries whose combined light spectra exhibit distinct peculiarities, allowing for separation-independent identification. We define a set of spectral indices designed to identify these systems, and we use a spectral template fitting method to confirm and characterize spectral binary candidates from a library of 815 spectra from the SpeX Prism Spectral Libraries. We present 11 new binary candidates, confirm 3 previously reported candidates, and rule out 2 previously identified candidates, all with primary and secondary spectral types in the range M7-L7 and T1-T8, respectively. We find that subdwarfs and blue L dwarfs are the primary contaminants in our sample and propose a method for segregating these sources. If confirmed by follow-up observations, these systems may add to the growing list of tight separation binaries, whose orbital properties may yield further insight into brown dwarf formation scenarios.

VizieR Online Data Catalog: A library of high-S/N optical spectra of FGKM stars (Yee+, 2017)

Science.gov (United States)

Yee, S. W.; Petigura, E. A.; von Braun, K.

2017-09-01

Classification of stars, by comparing their optical spectra to a few dozen spectral standards, has been a workhorse of observational astronomy for more than a century. Here, we extend this technique by compiling a library of optical spectra of 404 touchstone stars observed with Keck/HIRES by the California Planet Search. The spectra have high resolution (R~60000), high signal-to-noise ratio (S/N~150/pixel), and are registered onto a common wavelength scale. The library stars have properties derived from interferometry, asteroseismology, LTE spectral synthesis, and spectrophotometry. To address a lack of well-characterized late-K dwarfs in the literature, we measure stellar radii and temperatures for 23 nearby K dwarfs, using modeling of the spectral energy distribution and Gaia parallaxes. This library represents a uniform data set spanning the spectral types ~M5-F1 (Teff~3000-7000K, R*~0.1-16R{Sun}). We also present "Empirical SpecMatch" (SpecMatch-Emp), a tool for parameterizing unknown spectra by comparing them against our spectral library. For FGKM stars, SpecMatch-Emp achieves accuracies of 100K in effective temperature (Teff), 15% in stellar radius (R*), and 0.09dex in metallicity ([Fe/H]). Because the code relies on empirical spectra it performs particularly well for stars ~K4 and later, which are challenging to model with existing spectral synthesizers, reaching accuracies of 70K in Teff, 10% in R*, and 0.12dex in [Fe/H]. We also validate the performance of SpecMatch-Emp, finding it to be robust at lower spectral resolution and S/N, enabling the characterization of faint late-type stars. Both the library and stellar characterization code are publicly available. (2 data files).

Mass Digitisation by Libraries: Issues concerning Organisation, Quality and Efficiency

Directory of Open Access Journals (Sweden)

Astrid Verheusen

2008-03-01

Full Text Available Ever since the world-wide web made it possible to display graphics on the Internet, libraries have been scanning their older documents and pictures to provide access to them. From the middle of the 1990s thousands of libraries of all sizes began scanning parts of their collections, provided these with metadata and made them available on the web. The emphasis in these first, rather small, digitisation projects was on experimenting with different techniques for both scanning and building interfaces for the Internet. Along the way, methods for quality assurance, project management and business models became more professional. In line with the progress made in the field of digitisation, a profound knowledge of best practices has been developed. However, this knowledge is not available for all cultural heritage institutions who want to digitise their collections. Most of the smaller institutions lack experience and, moreover, the means to digitise in an efficient way. At the same time, the larger libraries are moving towards large-scale digitisation of historical texts while Google has already digitised millions of books from several libraries around the world. Although many libraries welcome the unprecedented access to all this information, Google has also been criticized for the inferior quality of their images, the emphasis on the English language, the violation of copyright laws and the lack of attention for preservation issues. The question therefore arises: can libraries do better than Google?

Non-targeted screening for contaminants in paper and board food-contact materials using effect-directed analysis and accurate mass spectrometry

DEFF Research Database (Denmark)

Bengtström, Linda; Rosenmai, Anna Kjerstine; Trier, Xenia

2016-01-01

Due to large knowledge gaps in chemical composition and toxicological data for substances involved, paper and board food-contact materials (P&B FCM) have been emerging as a FCM type of particular concern for consumer safety. This study describes the development of a step-by-step strategy, including......R) activity. These fractions were analysed by gas chromatography (GC) and ultra-HPLC (UHPLC) coupled to quadrupole time-of-flight mass spectrometers (QTOF MS) in order tentatively to identify substances. The elemental composition was determined for peaks above a threshold, and compared with entries...... in a commercial mass spectral library for GC-MS (GC-EI-QTOF MS) analysis and an in-house built library of accurate masses for substances known to be used in P&B packaging for UHPLC-QTOF analysis. Of 75 tentatively identified substances, 15 were initially selected for further testing in vitro; however, only seven...

Measurement of the strangeness spectral function and the mass of the strange quark in hadronic {tau} decays with the OPAL detector

Energy Technology Data Exchange (ETDEWEB)

Mader, W.

2004-03-01

Tau lepton decays with open strangeness in the final state are measured with the Opal detector at LEP to determine the strange hadronic spectral function of the {tau} lepton and the mass of the strange quark. The decays {tau}{sup -} {yields} (K{pi}){sup -}{nu}{sub {tau}}, (K{pi}{pi}){sup -}{nu}{sub {tau}} and (K{pi}{pi}{pi}){sup -}{nu}{sub {tau}} with final states consisting of neutral and charged kaons and pions, have been studied. The invariant mass distribution of 93.4% of these final states have been experimentally determined. Monte Carlo simulations have been used for the remaining 6.6% and for the strange final states including {eta} mesons. The reconstructed strange final states, corrected for resolution effects and detection efficiencies, yield the strange spectral function of the {tau} lepton. The moments of the spectral function and the ratio of strange to non-strange moments, which are important input parameters for theoretical analyses, are determined. Furthermore, the branching fractions B({tau}{sup -} {yields} K{sup -}{pi}{sup 0}{nu}{sub {tau}}) = (0.471 {+-} 0.064{sub stat} {+-} 0.021{sub sys})%, B({tau}{sup -} {yields} K{sup -}{pi}{sup +}{pi}{sup -}{nu}{sub {tau}}) = (0.415 {+-} 0.059{sub stat} {+-} 0.031{sub sys})% have been measured. From the CKM weighted difference of strange and non-strange spectral moments, the mass of the strange quark at the {tau} mass scale has been determined: m{sub s}(m{sub {tau}}{sup 2}) = (84 {+-} 14{sub exp} {+-} 6{sub V{sub us}} {+-} 17{sub theo}) MeV. Evolving this result to customary scales yields m{sub s}(1 GeV{sup 2}) = (111{sub -35}{sup +26}) MeV, m{sub s}(4 GeV{sup 2}) = (82{sub -25}{sup +19}) MeV. (orig.)

An extensive VLT/X-shooter library of photospheric templates of pre-main sequence stars

Science.gov (United States)

Manara, C. F.; Frasca, A.; Alcalá, J. M.; Natta, A.; Stelzer, B.; Testi, L.

2017-09-01

mass, and decreases with decreasing temperatures for lower-mass stars. For stars with masses of 1.5 M⊙ and ages of 1-5 Myr, the chromospheric noise converts to a limit of measurable mass accretion rates of 3 × 10-10M⊙/yr. The limit on the mass accretion rate set by the chromospheric noise is of the order of the lowest measured values of mass accretion rates in Class II objects. Based on observations made with ESO Telescopes at the La Silla Paranal Observatory under programme ID 096.C-0979.The spectral library is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/605/A86

INTRIGOSS: A new Library of High Resolution Synthetic Spectra

Science.gov (United States)

Franchini, Mariagrazia; Morossi, Carlo; Di Marcancantonio, Paolo; Chavez, Miguel; GES-Builders

2018-01-01

INTRIGOSS (INaf Trieste Grid Of Synthetic Spectra) is a new High Resolution (HiRes) synthetic spectral library designed for studying F, G, and K stars. The library is based on atmosphere models computed with specified individual element abundances via ATLAS12 code. Normalized SPectra (NSP) and surface Flux SPectra (FSP), in the 4800-5400 Å wavelength range, were computed by means of the SPECTRUM code. The synthetic spectra are computed with an atomic and bi-atomic molecular line list including "bona fide" Predicted Lines (PLs) built by tuning loggf to reproduce very high SNR Solar spectrum and the UVES-U580 spectra of five cool giants extracted from the Gaia-ESO survey (GES). The astrophysical gf-values were then assessed by using more than 2000 stars with homogenous and accurate atmosphere parameters and detailed chemical composition from GES. The validity and greater accuracy of INTRIGOSS NSPs and FSPs with respect to other available spectral libraries is discussed. INTRIGOSS will be available on the web and will be a valuable tool for both stellar atmospheric parameters and stellar population studies.

Dwarfs Cooler Than M: The Definition of Spectral Type L Using Discoveries from the 2-Micron All-Sky Survey (2MASS)

Science.gov (United States)

Kirkpatrick, J.; Reid, I.; Liebert, J.; Cutri, R.; Nelson, B.; Beichman, C.; Dahn, C.; Monet, D.; Gizis, J.; Skrutskie, M.

1998-01-01

Before the 2-Micron All-Sky Survey (2MASS) began, only six objects were known with spectral types later than M9.5 V. In the first 371 sq. deg. of actual 2MASS survey data, we have identified another twenty such objects spectroscopically confirmed using the Low Resolution Imaging Spectrograph (LRIS) at the W.M. Keck Observatory.

Parameters optimization for wavelet denoising based on normalized spectral angle and threshold constraint machine learning

Science.gov (United States)

Li, Hao; Ma, Yong; Liang, Kun; Tian, Yong; Wang, Rui

2012-01-01

Wavelet parameters (e.g., wavelet type, level of decomposition) affect the performance of the wavelet denoising algorithm in hyperspectral applications. Current studies select the best wavelet parameters for a single spectral curve by comparing similarity criteria such as spectral angle (SA). However, the method to find the best parameters for a spectral library that contains multiple spectra has not been studied. In this paper, a criterion named normalized spectral angle (NSA) is proposed. By comparing NSA, the best combination of parameters for a spectral library can be selected. Moreover, a fast algorithm based on threshold constraint and machine learning is developed to reduce the time of a full search. After several iterations of learning, the combination of parameters that constantly surpasses a threshold is selected. The experiments proved that by using the NSA criterion, the SA values decreased significantly, and the fast algorithm could save 80% time consumption, while the denoising performance was not obviously impaired.

CHEMICAL EVOLUTION LIBRARY FOR GALAXY FORMATION SIMULATION

International Nuclear Information System (INIS)

Saitoh, Takayuki R.

2017-01-01

We have developed a software library for chemical evolution simulations of galaxy formation under the simple stellar population (SSP) approximation. In this library, all of the necessary components concerning chemical evolution, such as initial mass functions, stellar lifetimes, yields from Type II and Type Ia supernovae, asymptotic giant branch stars, and neutron star mergers, are compiled from the literature. Various models are pre-implemented in this library so that users can choose their favorite combination of models. Subroutines of this library return released energy and masses of individual elements depending on a given event type. Since the redistribution manner of these quantities depends on the implementation of users’ simulation codes, this library leaves it up to the simulation code. As demonstrations, we carry out both one-zone, closed-box simulations and 3D simulations of a collapsing gas and dark matter system using this library. In these simulations, we can easily compare the impact of individual models on the chemical evolution of galaxies, just by changing the control flags and parameters of the library. Since this library only deals with the part of chemical evolution under the SSP approximation, any simulation codes that use the SSP approximation—namely, particle-base and mesh codes, as well as semianalytical models—can use it. This library is named “CELib” after the term “Chemical Evolution Library” and is made available to the community.

CHEMICAL EVOLUTION LIBRARY FOR GALAXY FORMATION SIMULATION

Energy Technology Data Exchange (ETDEWEB)

Saitoh, Takayuki R., E-mail: saitoh@elsi.jp [Earth-Life Science Institute, Tokyo Institute of Technology, 2-12-1, Ookayama, Meguro, Tokyo, 152-8551 (Japan)

2017-02-01

We have developed a software library for chemical evolution simulations of galaxy formation under the simple stellar population (SSP) approximation. In this library, all of the necessary components concerning chemical evolution, such as initial mass functions, stellar lifetimes, yields from Type II and Type Ia supernovae, asymptotic giant branch stars, and neutron star mergers, are compiled from the literature. Various models are pre-implemented in this library so that users can choose their favorite combination of models. Subroutines of this library return released energy and masses of individual elements depending on a given event type. Since the redistribution manner of these quantities depends on the implementation of users’ simulation codes, this library leaves it up to the simulation code. As demonstrations, we carry out both one-zone, closed-box simulations and 3D simulations of a collapsing gas and dark matter system using this library. In these simulations, we can easily compare the impact of individual models on the chemical evolution of galaxies, just by changing the control flags and parameters of the library. Since this library only deals with the part of chemical evolution under the SSP approximation, any simulation codes that use the SSP approximation—namely, particle-base and mesh codes, as well as semianalytical models—can use it. This library is named “CELib” after the term “Chemical Evolution Library” and is made available to the community.

Measurement of the Strangeness Spectral Function and the Mass of the Strange Quark in Hadronic tau Decays with the OPAL Detector

CERN Document Server

Mader, Wolfgang Franz

2004-01-01

Tau lepton decays with open strangeness in the final state are measured with the Opal detector at LEP to determine the strange hadronic spectral function of the τ lepton and the mass of the strange quark. The decays τ −→ (Kπ) −ντ , (Kππ) −ντ and (Kπππ) −ντ with final states consisting of neutral and charged kaons and pions, have been studied. The invariant mass distribution of 93.4% of these final states have been experimentally determined. Monte Carlo simulations have been used for the remaining 6.6% and for the strange final states including η mesons. The reconstructed strange final states, corrected for resolution effects and detection efficiencies, yield the strange spectral function of the τ lepton. The moments of the spectral function and the ratio of strange to non-strange moments, which are important input parameters for theoretical analyses, are determined. Furthermore, the branching fractions B(τ − → K −π 0 ντ ) = (0.471 ± 0.064stat ± 0.021sys) % B(τ − → K ...

Authentication of Closely Related Fish and Derived Fish Products Using Tandem Mass Spectrometry and Spectral Library Matching

NARCIS (Netherlands)

Nessen, Merel A.; Zwaan, van der Dennis J.; Grevers, Sander; Dalebout, Hans; Staats, Martijn; Kok, Esther; Palmblad, Magnus

2016-01-01

Proteomics methodology has seen increased application in food authentication, including tandem mass spectrometry of targeted species-specific peptides in raw, processed, or mixed food products. We have previously described an alternative principle that uses untargeted data acquisition and

Multi-material decomposition of spectral CT images

Science.gov (United States)

Mendonça, Paulo R. S.; Bhotika, Rahul; Maddah, Mahnaz; Thomsen, Brian; Dutta, Sandeep; Licato, Paul E.; Joshi, Mukta C.

2010-04-01

Spectral Computed Tomography (Spectral CT), and in particular fast kVp switching dual-energy computed tomography, is an imaging modality that extends the capabilities of conventional computed tomography (CT). Spectral CT enables the estimation of the full linear attenuation curve of the imaged subject at each voxel in the CT volume, instead of a scalar image in Hounsfield units. Because the space of linear attenuation curves in the energy ranges of medical applications can be accurately described through a two-dimensional manifold, this decomposition procedure would be, in principle, limited to two materials. This paper describes an algorithm that overcomes this limitation, allowing for the estimation of N-tuples of material-decomposed images. The algorithm works by assuming that the mixing of substances and tissue types in the human body has the physicochemical properties of an ideal solution, which yields a model for the density of the imaged material mix. Under this model the mass attenuation curve of each voxel in the image can be estimated, immediately resulting in a material-decomposed image triplet. Decomposition into an arbitrary number of pre-selected materials can be achieved by automatically selecting adequate triplets from an application-specific material library. The decomposition is expressed in terms of the volume fractions of each constituent material in the mix; this provides for a straightforward, physically meaningful interpretation of the data. One important application of this technique is in the digital removal of contrast agent from a dual-energy exam, producing a virtual nonenhanced image, as well as in the quantification of the concentration of contrast observed in a targeted region, thus providing an accurate measure of tissue perfusion.

Progress on Chinese evaluated nuclear parameters library (CENPL). Pt. 3

International Nuclear Information System (INIS)

Su Zongdi; Ge Zhigang; Zhou Chunmei

1994-01-01

The progress on Chinese evaluated nuclear parameters library (CENPL) is introduced. The setting up work of each sub-library of CENPL has got some new progresses at the past period. These sub-libraries are atomic mass and characteristic constant for nuclear ground state sub-library, discrete level scheme and batch ratio of γ decay sub-library, level density parameter sub-library, giant dipole resonance parameter for γ-ray strength function sub-library and optical model parameter sub-library

FURTHER DEFINING SPECTRAL TYPE 'Y' AND EXPLORING THE LOW-MASS END OF THE FIELD BROWN DWARF MASS FUNCTION

International Nuclear Information System (INIS)

Davy Kirkpatrick, J.; Gelino, Christopher R.; Griffith, Roger L.; Marsh, Kenneth A.; Cushing, Michael C.; Mace, Gregory N.; Wright, Edward L.; McLean, Ian S.; Skrutskie, Michael F.; Eisenhardt, Peter R.; Mainzer, Amanda K.; Burgasser, Adam J.; Tinney, C. G.; Parker, Stephen; Salter, Graeme

2012-01-01

We present the discovery of another seven Y dwarfs from the Wide-field Infrared Survey Explorer (WISE). Using these objects, as well as the first six WISE Y dwarf discoveries from Cushing et al., we further explore the transition between spectral types T and Y. We find that the T/Y boundary roughly coincides with the spot where the J – H colors of brown dwarfs, as predicted by models, turn back to the red. Moreover, we use preliminary trigonometric parallax measurements to show that the T/Y boundary may also correspond to the point at which the absolute H (1.6 μm) and W2 (4.6 μm) magnitudes plummet. We use these discoveries and their preliminary distances to place them in the larger context of the solar neighborhood. We present a table that updates the entire stellar and substellar constituency within 8 pc of the Sun, and we show that the current census has hydrogen-burning stars outnumbering brown dwarfs by roughly a factor of six. This factor will decrease with time as more brown dwarfs are identified within this volume, but unless there is a vast reservoir of cold brown dwarfs invisible to WISE, the final space density of brown dwarfs is still expected to fall well below that of stars. We also use these new Y dwarf discoveries, along with newly discovered T dwarfs from WISE, to investigate the field substellar mass function. We find that the overall space density of late-T and early-Y dwarfs matches that from simulations describing the mass function as a power law with slope –0.5 < α < 0.0; however, a power law may provide a poor fit to the observed object counts as a function of spectral type because there are tantalizing hints that the number of brown dwarfs continues to rise from late-T to early-Y. More detailed monitoring and characterization of these Y dwarfs, along with dedicated searches aimed at identifying more examples, are certainly required.

Comprehensive gas chromatography coupled to mass spectrometry for the separation of pesticides in a very complex matrix.

Science.gov (United States)

Mondello, Luigi; Casilli, Alessandro; Tranchida, Peter Quinto; Lo Presti, Maria; Dugo, Paola; Dugo, Giovanni

2007-11-01

The present research is focused on the development of a comprehensive two-dimensional gas chromatography-rapid scanning quadrupole mass spectrometric (GC x GC-qMS) methodology for the analysis of trace-amount pesticides contained in a complex real-world sample. Reliable peak assignment was carried out by using a recently developed, dedicated pesticide MS library (for comprehensive GC analysis), characterized by a twin-filter search procedure, the first based on a minimum degree of spectral similarity and the second on the interactive use of linear retention indices (LRI). The library was constructed by subjecting mixtures of commonly used pesticides to GC x GC-qMS analysis and then deriving their pure mass spectra and LRI values. In order to verify the effectiveness of the approach, a pesticide-contaminated red grapefruit extract was analysed. The certainty of peak assignment was attained by exploiting both the enhanced separation power of dual-oven GC x GC and the highly effective search procedure.

Identification of acetates in elasmopalpulus lignosellus pheromone glands using a newly created mass spectral database and kóvats retention indices

OpenAIRE

Jham, Gulab N.; Silva, Alexsandro A. da; Lima, Eraldo R.; Viana, Paulo A.

2007-01-01

Based on a specially created mass spectral database utilizing 23 tetradecenyl and 22 hexadecenyl acetate standards along with Kóvats retention indices obtained on a very polar stationary phase [poly (biscyanopropyl siloxane)] (SP 2340), (Z)-9-hexadecenyl acetate, (Z)-11-hexadecenyl acetate and (E)-8-hexadecenyl acetate were identified in active pheromone extracts of Elasmopalpus lignosellus. This identification was more efficient than our previous study using gas chromatography/mass spectrome...

Gas Chromatography and Mass Spectrometry Measurements and Protocols for Database and Library Development Relating to Organic Species in Support of the Mars Science Laboratory

Science.gov (United States)

Misra, P.; Garcia, R.; Mahaffy, P. R.

2010-04-01

An organic contaminant database and library has been developed for use with the Sample Analysis at Mars (SAM) instrumentation utilizing laboratory-based Gas Chromatography-Mass Spectrometry measurements of pyrolyzed and baked material samples.

Astrophysical opacity library

International Nuclear Information System (INIS)

Huebner, W.F.; Merts, A.L.; Magee, N.H. Jr.; Argo, M.F.

1977-08-01

The astrophysical elements opacity library includes equation of state data, various mean opacities, and 2000 values of the frequency-dependent extinction coefficients in equally spaced intervals u identical with hν/kT from 0 to 20 for 41 degeneracy parameters eta from -28 (nondegenerate) to 500 and 46 temperatures kT from 1 eV to 100 keV. Among available auxiliary quantities are the free electron density, mass density, and plasma cutoff frequency. A library-associated program can produce opacities for mixtures with up to 20 astrophysically abundant constituent elements at 4 levels of utility for the user

Dereplication of Natural Products Using GC-TOF Mass Spectrometry: Improved Metabolite Identification By Spectral Deconvolution Ratio Analysis

Directory of Open Access Journals (Sweden)

Fausto Carnevale Neto

2016-09-01

Full Text Available Dereplication based on hyphenated techniques has been extensively applied in plant metabolomics, avoiding re-isolation of known natural products. However, due to the complex nature of biological samples and their large concentration range, dereplication requires the use of chemometric tools to comprehensively extract information from the acquired data. In this work we developed a reliable GC-MS-based method for the identification of non-targeted plant metabolites by combining the Ratio Analysis of Mass Spectrometry deconvolution tool (RAMSY with Automated Mass Spectral Deconvolution and Identification System software (AMDIS. Plants species from Solanaceae, Chrysobalanaceae and Euphorbiaceae were selected as model systems due to their molecular diversity, ethnopharmacological potential and economical value. The samples were analyzed by GC-MS after methoximation and silylation reactions. Dereplication initiated with the use of a factorial design of experiments to determine the best AMDIS configuration for each sample, considering linear retention indices and mass spectral data. A heuristic factor (CDF, compound detection factor was developed and applied to the AMDIS results in order to decrease the false-positive rates. Despite the enhancement in deconvolution and peak identification, the empirical AMDIS method was not able to fully deconvolute all GC-peaks, leading to low MF values and/or missing metabolites. RAMSY was applied as a complementary deconvolution method to AMDIS to peaks exhibiting substantial overlap, resulting in recovery of low-intensity co-eluted ions. The results from this combination of optimized AMDIS with RAMSY attested to the ability of this approach as an improved dereplication method for complex biological samples such as plant extracts.

Nuclear data library table (Version November 1998)

International Nuclear Information System (INIS)

Baard, J.H.

1998-11-01

This report presents the edition of the Nuclear Data Library Table, valid from 1998-11-01. This library contains data for conversion of activity values to fluence rate and fluence values. The revised table is a modified version of the older library coded 1990-12-12. The older library has been extended with 23 reaction; the special 'background' reaction has been deleted. A table has been incorporated in this report which indicates the changes in this revised library data in comparison to previously used data. The data has been incorporated in this report which indicates the changes in this revised library data in comparison to previously used data. The data are presented as obtained as output from the program SAPNDLT. A table with half-lives of product nuclides is presented; in Appendix 2 these values have been calculated using the decay constants from this library. Surveys of thermal and fast cross sections are given for the various reactions in Appendix 3 and 4 respectively. Also a table with activities per mg mass for a fluence rate of 10 1 8 m -2 .s -1 is presented in Appendix 3 and 4 respectively. Also a table with activities per mg mass for a fluence rate of 10 1 8 m -1 is presented in Appendix 5 for various irradiation intervals. Appendix 6 gives for the various reactions the Kerma rate value. 8 refs

Application of visual basic in high-throughput mass spectrometry-directed purification of combinatorial libraries.

Science.gov (United States)

Li, B; Chan, E C Y

2003-01-01

We present an approach to customize the sample submission process for high-throughput purification (HTP) of combinatorial parallel libraries using preparative liquid chromatography electrospray ionization mass spectrometry. In this study, Visual Basic and Visual Basic for Applications programs were developed using Microsoft Visual Basic 6 and Microsoft Excel 2000, respectively. These programs are subsequently applied for the seamless electronic submission and handling of data for HTP. Functions were incorporated into these programs where medicinal chemists can perform on-line verification of the purification status and on-line retrieval of postpurification data. The application of these user friendly and cost effective programs in our HTP technology has greatly increased our work efficiency by reducing paper work and manual manipulation of data.

jmzReader: A Java parser library to process and visualize multiple text and XML-based mass spectrometry data formats.

Science.gov (United States)

Griss, Johannes; Reisinger, Florian; Hermjakob, Henning; Vizcaíno, Juan Antonio

2012-03-01

We here present the jmzReader library: a collection of Java application programming interfaces (APIs) to parse the most commonly used peak list and XML-based mass spectrometry (MS) data formats: DTA, MS2, MGF, PKL, mzXML, mzData, and mzML (based on the already existing API jmzML). The library is optimized to be used in conjunction with mzIdentML, the recently released standard data format for reporting protein and peptide identifications, developed by the HUPO proteomics standards initiative (PSI). mzIdentML files do not contain spectra data but contain references to different kinds of external MS data files. As a key functionality, all parsers implement a common interface that supports the various methods used by mzIdentML to reference external spectra. Thus, when developing software for mzIdentML, programmers no longer have to support multiple MS data file formats but only this one interface. The library (which includes a viewer) is open source and, together with detailed documentation, can be downloaded from http://code.google.com/p/jmzreader/. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comparison of neutron fluxes obtained by 2-D and 3-D geometry with different shielding libraries in biological shield of the TRIGA MARK II reactor

International Nuclear Information System (INIS)

Bozic, M.; Zagar, T.; Ravnik, M.

2003-01-01

Neutron fluxes in different spatial locations in biological shield are obtained with TORT code (TORT-Three Dimensional Oak Ridge Discrete Ordinates Neutron/Photon Transport Code). Libraries used with TORT code were BUGLE-96 library (coupled library with 47 neutron groups and 20 gamma groups) and VITAMIN-B6 library (coupled library with 199 neutron groups and 42 gamma groups). BUGLE-96 library is derived from VITAMIN-B6 library. 2-D and 3-D models for homogeneous type of problem (without inserted beam port 4) and problem with asymmetry (non-homogeneous problem; inserted beam port 4, filled with different materials) were of interest for neutron flux calculation. The main purpose is to verify the possibility for using 2-D approximation model instead of large 3-D model in some calculations. Another purpose of this paper was to compare neutron spectral constants obtained from neutron fluxes (3-D model) determined with smaller BUGLE-96 library with new constants obtained from fluxes calculated with bigger VITAMIN-B6 library. These neutron spectral constants are used in isotopic calculation with SCALE code package (ORIGEN-S). In past only neutron spectral constants determined by neutron fluxes from BUGLE-96 library were used. Experimental results used for isotopic composition comparison are available from irradiation experiment with selected type of concrete and other materials in beam port 4 (irradiation channel 4) in TRIGA Mark II reactor. These experimental results were used as a benchmark in this paper. (author)

Quarkonium spectral function in medium at next-to-leading order for any quark mass

International Nuclear Information System (INIS)

Burnier, Yannis

2015-01-01

The vector channel spectral function at zero spatial momentum is calculated at next-to-leading order in thermal QCD for any quark mass. It corresponds to the imaginary part of the massive quark contribution to the photon polarisation tensor. The spectrum shows a well-defined transport peak in contrast to both the heavy quark limit studied previously, where the low frequency domain is exponentially suppressed at this order, and the naive massless case where it vanishes at leading order and diverges at next-to-leading order. From our general expressions, the massless limit can be taken and we show that no divergences occur if done carefully. Finally, we compare the massless limit to results from lattice simulations. (orig.)

Parallel Programming Application to Matrix Algebra in the Spectral Method for Control Systems Analysis, Synthesis and Identification

Directory of Open Access Journals (Sweden)

V. Yu. Kleshnin

2016-01-01

Full Text Available The article describes the matrix algebra libraries based on the modern technologies of parallel programming for the Spectrum software, which can use a spectral method (in the spectral form of mathematical description to analyse, synthesise and identify deterministic and stochastic dynamical systems. The developed matrix algebra libraries use the following technologies for the GPUs: OmniThreadLibrary, OpenMP, Intel Threading Building Blocks, Intel Cilk Plus for CPUs nVidia CUDA, OpenCL, and Microsoft Accelerated Massive Parallelism.The developed libraries support matrices with real elements (single and double precision. The matrix dimensions are limited by 32-bit or 64-bit memory model and computer configuration. These libraries are general-purpose and can be used not only for the Spectrum software. They can also find application in the other projects where there is a need to perform operations with large matrices.The article provides a comparative analysis of the libraries developed for various matrix operations (addition, subtraction, scalar multiplication, multiplication, powers of matrices, tensor multiplication, transpose, inverse matrix, finding a solution of the system of linear equations through the numerical experiments using different CPU and GPU. The article contains sample programs and performance test results for matrix multiplication, which requires most of all computational resources in regard to the other operations.

Sensitive electrospray mass spectrometry analysis of one-bead-one-compound peptide libraries labeled by quaternary ammonium salts.

Science.gov (United States)

Bąchor, Remigiusz; Cydzik, Marzena; Rudowska, Magdalena; Kluczyk, Alicja; Stefanowicz, Piotr; Szewczuk, Zbigniew

2012-08-01

A rapid and straightforward method for high-throughput analysis of single resin beads from one-bead-one-compound combinatorial libraries with high resolution electrospray ionization tandem mass spectrometry (HR ESI-MS/MS) is presented. The application of an efficient method of peptide derivatization by quaternary ammonium salts (QAS) formation increases ionization efficiency and reduces the detection limit, allowing analysis of trace amounts of compounds by ESI-MS. Peptides, synthesized on solid support, contain a new cleavable linker composed of a Peg spacer (9-aza-3,6,12,15-tetraoxa-10-on-heptadecanoic acid), lysine with ɛ-amino group marked by the N,N,N-triethylglycine salt, and methionine, which makes possible the selective cleavage by cyanogen bromide. Even a small portion of peptides derivatized by QAS cleaved from a single resin bead is sufficient for sequencing by HR ESI-MS/MS experiments. The developed strategy was applied to a small training library of α chymotrypsin substrates. The obtained results confirm the applicability of the proposed method in combinatorial chemistry.

The development of retrosynthetic glycan libraries to profile and classify the human serum N-linked glycome.

Science.gov (United States)

Kronewitter, Scott R; An, Hyun Joo; de Leoz, Maria Lorna; Lebrilla, Carlito B; Miyamoto, Suzanne; Leiserowitz, Gary S

2009-06-01

Annotation of the human serum N-linked glycome is a formidable challenge but is necessary for disease marker discovery. A new theoretical glycan library was constructed and proposed to provide all possible glycan compositions in serum. It was developed based on established glycobiology and retrosynthetic state-transition networks. We find that at least 331 compositions are possible in the serum N-linked glycome. By pairing the theoretical glycan mass library with a high mass accuracy and high-resolution MS, human serum glycans were effectively profiled. Correct isotopic envelope deconvolution to monoisotopic masses and the high mass accuracy instruments drastically reduced the amount of false composition assignments. The high throughput capacity enabled by this library permitted the rapid glycan profiling of large control populations. With the use of the library, a human serum glycan mass profile was developed from 46 healthy individuals. This paper presents a theoretical N-linked glycan mass library that was used for accurate high-throughput human serum glycan profiling. Rapid methods for evaluating a patient's glycome are instrumental for studying glycan-based markers.

Potential of VIS-NIR-SWIR Spectroscopy from the Chinese Soil Spectral Library for Assessment of Nitrogen Fertilization Rates in the Paddy-Rice Region, China

Directory of Open Access Journals (Sweden)

Shuo Li

2015-05-01

Full Text Available To meet growing food demand with limited land and reduced environmental impact, soil testing and formulated fertilization methods have been widely adopted around the world. However, conventional technology for investigating nitrogen fertilization rates (NFR is time consuming and expensive. Here, we evaluated the use of visible near-infrared shortwave-infrared (VIS-NIR-SWIR: 400–2500 nm spectroscopy for the assessment of NFR to provide necessary information for fast, cost-effective and precise fertilization rating. Over 2000 samples were collected from paddy-rice fields in 10 Chinese provinces; samples were added to the Chinese Soil Spectral Library (CSSL. Two kinds of modeling strategies for NFR, quantitative estimation of soil N prior to classification and qualitative by classification, were employed using partial least squares regression (PLSR, locally weighted regression (LWR, and support vector machine discriminant analogy (SVMDA. Overall, both LWR and SVMDA had moderate accuracies with Cohen’s kappa coefficients of 0.47 and 0.48, respectively, while PLSR had fair accuracy (0.37. We conclude that VIS-NIR-SWIR spectroscopy coupled with the CSSL appears to be a viable, rapid means for the assessment of NFR in paddy-rice soil. Based on qualitative classification of soil spectral data only, it is recommended that the SVMDA be adopted for rapid implementation.

AER working group A on improvement extension and validation of parametrized few-group libraries for VVER-440 and VVER-1000

International Nuclear Information System (INIS)

Svarny, J.

1998-01-01

The AER Working Groups A and B held its sixth meeting at SKODA JS, Plzen in April 28 and 29, 1998. There were altogether 13 participants from 6 member organizations. The list of participants and the list of papers are attached. Main topics of the meeting were: A few-group cross-section library preparation methodology (standard few-group libraries, kinetics parameters, SPND signal interpretation parametrization) and its validation; Participation on intercomparisons of spectral codes (spectral codes benchmark); of kinetics parameters calculations (kinetics parameters benchmark). (author)

AS ABOVE, SO BELOW: EXPLOITING MASS SCALING IN BLACK HOLE ACCRETION TO BREAK DEGENERACIES IN SPECTRAL INTERPRETATION

International Nuclear Information System (INIS)

Markoff, Sera; Silva, Catia V.; Nowak, Michael A.; Gallo, Elena; Plotkin, Richard M.; Hynes, Robert; Wilms, Jörn; Maitra, Dipankar; Drappeau, Samia

2015-01-01

Over the past decade, evidence has mounted that several aspects of black hole (BH) accretion physics proceed in a mass-invariant way. One of the best examples of this scaling is the empirical “fundamental plane of BH accretion” relation linking mass, radio, and X-ray luminosity over eight orders of magnitude in BH mass. The currently favored theoretical interpretation of this relation is that the physics governing power output in weakly accreting BHs depends more on relative accretion rate than on mass. In order to test this theory, we explore whether a mass-invariant approach can simultaneously explain the broadband spectral energy distributions from two BHs at opposite ends of the mass scale but that are at similar Eddington accretion fractions. We find that the same model, with the same value of several fitted physical parameters expressed in mass-scaling units to enforce self-similarity, can provide a good description of two data sets from V404 Cyg and M81*, a stellar and supermassive BH, respectively. Furthermore, only one of several potential emission scenarios for the X-ray band is successful, suggesting it is the dominant process driving the fundamental plane relation at this accretion rate. This approach thus holds promise for breaking current degeneracies in the interpretation of BH high-energy spectra and for constructing better prescriptions of BH accretion for use in various local and cosmological feedback applications

A library of IUE white dwarf spectra for stellar population analyses.

Science.gov (United States)

Bica, E.; Bonatto, C.; Giovannini, O.

1996-10-01

We present high Signal to Noise ratio IUE spectra of different classes of white dwarfs, to be used as templates for stellar population analyses in the ultraviolet region. We present average stellar parameters associated to each group. The library contains 6 groups for DA's, 2 for DO's and 5 for DB's. We also present equivalent widths of spectral features, and continuum measurements. We call attention to the spectral characteristics which are promising indicators of the presence of white dwarfs in the spectra of composite stellar populations.

Atmospheric parameters, spectral indexes and their relation to CPV spectral performance

Energy Technology Data Exchange (ETDEWEB)

Núñez, Rubén, E-mail: ruben.nunez@ies-def.upm.es; Antón, Ignacio, E-mail: ruben.nunez@ies-def.upm.es; Askins, Steve, E-mail: ruben.nunez@ies-def.upm.es; Sala, Gabriel, E-mail: ruben.nunez@ies-def.upm.es [Instituto de Energía Solar - Universidad Politécnica de Madrid, Instituto de Energía Solar, ETSI Telecomunicación, Ciudad Universitaria 28040 Madrid (Spain)

2014-09-26

Air Mass and atmosphere components (basically aerosol (AOD) and precipitable water (PW)) define the absorption of the sunlight that arrive to Earth. Radiative models such as SMARTS or MODTRAN use these parameters to generate an equivalent spectrum. However, complex and expensive instruments (as AERONET network devices) are needed to obtain AOD and PW. On the other hand, the use of isotype cells is a convenient way to characterize spectrally a place for CPV considering that they provide the photocurrent of the different internal subcells individually. Crossing data from AERONET station and a Tri-band Spectroheliometer, a model that correlates Spectral Mismatch Ratios and atmospheric parameters is proposed. Considering the amount of stations of AERONET network, this model may be used to estimate the spectral influence on energy performance of CPV systems close to all the stations worldwide.

An in silico MS/MS library for automatic annotation of novel FAHFA lipids.

Science.gov (United States)

Ma, Yan; Kind, Tobias; Vaniya, Arpana; Gennity, Ingrid; Fahrmann, Johannes F; Fiehn, Oliver

2015-01-01

A new lipid class named 'fatty acid esters of hydroxyl fatty acids' (FAHFA) was recently discovered in mammalian adipose tissue and in blood plasma and some FAHFAs were found to be associated with type 2 diabetes. To facilitate the automatic annotation of FAHFAs in biological specimens, a tandem mass spectra (MS/MS) library is needed. Due to the limitation of the commercial available standard compounds, we proposed building an in silico MS/MS library to extend the coverage of molecules. We developed a computer-generated library with 3267 tandem mass spectra (MS/MS) for 1089 FAHFA species. FAHFA spectra were generated based on authentic standards with negative mode electrospray ionization and 10, 20, and 40 V collision induced dissociation at 4 spectra/s as used in in ultra-high performance liquid chromatography-QTOF mass spectrometry studies. However, positional information of the hydroxyl group is only obtained either at lower QTOF spectra acquisition rates of 1 spectrum/s or at the MS(3) level in ion trap instruments. Therefore, an additional set of 4290 fragment-rich MS/MS spectra was created to enable distinguishing positional FAHFA isomers. The library was generated based on ion fragmentations and ion intensities of FAHFA external reference standards, developing a heuristic model for fragmentation rules and extending these rules to large swaths of computer-generated structures of FAHFAs with varying chain lengths, degrees of unsaturation and hydroxyl group positions. Subsequently, we validated the new in silico library by discovering several new FAHFA species in egg yolk, showing that this library enables high-throughput screening of FAHFA lipids in various biological matrices. The developed library and templates are freely available for commercial or noncommercial use at http://fiehnlab.ucdavis.edu/staff/yanma/fahfa-lipid-library. This in silico MS/MS library allows users to annotate FAHFAs from accurate mass tandem mass spectra in an easy and fast manner

Meson spectral functions at finite temperature

International Nuclear Information System (INIS)

Wetzorke, I.; Karsch, F.; Laermann, E.; Petreczky, P.; Stickan, S.

2001-10-01

The Maximum Entropy Method provides a Bayesian approach to reconstruct the spectral functions from discrete points in Euclidean time. The applicability of the approach at finite temperature is probed with the thermal meson correlation function. Furthermore the influence of fuzzing/smearing techniques on the spectral shape is investigated. We present first results for meson spectral functions at several temperatures below and above T c . The correlation functions were obtained from quenched calculations with Clover fermions on large isotropic lattices of the size (24 - 64) 3 x 16. We compare the resulting pole masses with the ones obtained from standard 2-exponential fits of spatial and temporal correlation functions at finite temperature and in the vacuum. The deviation of the meson spectral functions from free spectral functions is examined above the critical temperature. (orig.)

Meson spectral functions at finite temperature

International Nuclear Information System (INIS)

Wetzorke, I.; Karsch, F.; Laermann, E.; Petreczky, P.; Stickan, S.

2002-01-01

The Maximum Entropy Method provides a Bayesian approach to reconstruct the spectral functions from discrete points in Euclidean time. The applicability of the approach at finite temperature is probed with the thermal meson correlation function. Furthermore the influence of fuzzing/smearing techniques on the spectral shape is investigated. We present first results for meson spectral functions at several temperatures below and above T c . The correlation functions were obtained from quenched calculations with Clover fermions on large isotropic lattices of the size (24 - 64) 3 x 16. We compare the resulting pole masses with the ones obtained from standard 2-exponential fits of spatial and temporal correlation functions at finite temperature and in the vacuum. The deviation of the meson spectral functions from free spectral functions is examined above the critical temperature

Meson spectral functions at finite temperature

Energy Technology Data Exchange (ETDEWEB)

Wetzorke, I.; Karsch, F.; Laermann, E.; Petreczky, P.; Stickan, S

2002-03-01

The Maximum Entropy Method provides a Bayesian approach to reconstruct the spectral functions from discrete points in Euclidean time. The applicability of the approach at finite temperature is probed with the thermal meson correlation function. Furthermore the influence of fuzzing/smearing techniques on the spectral shape is investigated. We present first results for meson spectral functions at several temperatures below and above T{sub c}. The correlation functions were obtained from quenched calculations with Clover fermions on large isotropic lattices of the size (24 - 64){sup 3} x 16. We compare the resulting pole masses with the ones obtained from standard 2-exponential fits of spatial and temporal correlation functions at finite temperature and in the vacuum. The deviation of the meson spectral functions from free spectral functions is examined above the critical temperature.

Meson spectral functions at finite temperature

Energy Technology Data Exchange (ETDEWEB)

Wetzorke, I.; Karsch, F.; Laermann, E.; Petreczky, P.; Stickan, S. [Bielefeld Univ. (Germany). Fakultaet fuer Physik

2001-10-01

The Maximum Entropy Method provides a Bayesian approach to reconstruct the spectral functions from discrete points in Euclidean time. The applicability of the approach at finite temperature is probed with the thermal meson correlation function. Furthermore the influence of fuzzing/smearing techniques on the spectral shape is investigated. We present first results for meson spectral functions at several temperatures below and above T{sub c}. The correlation functions were obtained from quenched calculations with Clover fermions on large isotropic lattices of the size (24 - 64){sup 3} x 16. We compare the resulting pole masses with the ones obtained from standard 2-exponential fits of spatial and temporal correlation functions at finite temperature and in the vacuum. The deviation of the meson spectral functions from free spectral functions is examined above the critical temperature. (orig.)

AN INCREASE IN THE MASS OF PLANETARY SYSTEMS AROUND LOWER-MASS STARS

International Nuclear Information System (INIS)

Mulders, Gijs D.; Pascucci, Ilaria; Apai, Dániel

2015-01-01

Trends in the planet population with host star mass provide an avenue to constrain planet formation theories. We derive the planet radius distribution function for Kepler stars of different spectral types, sampling a range in host star masses. We find that M dwarf stars have 3.5 times more small planets (1.0–2.8 R ⨁ ) than main-sequence FGK stars, but two times fewer Neptune-sized and larger (>2.8 R ⨁ ) planets. We find no systematic trend in the planet size distribution between spectral types F, G, and K to explain the increasing occurrence rates. Taking into account the mass–radius relationship and heavy-element mass of observed exoplanets, and assuming those are independent of spectral type, we derive the inventory of the heavy-element mass locked up in exoplanets at short orbits. The overall higher planet occurrence rates around M stars are not consistent with the redistribution of the same mass into more, smaller planets. At the orbital periods and planet radii where Kepler observations are complete for all spectral types, the average heavy-element mass locked up in exoplanets increases roughly inversely with stellar mass from 4 M ⨁ in F stars to 5 M ⨁ in G and K stars to 7 M ⨁ in M stars. This trend stands in stark contrast with observed protoplanetary disk masses that decrease toward lower mass stars, and provides a challenge for current planet formation models. Neither models of in situ formation nor migration of fully formed planets are consistent with these results. Instead, these results are indicative of large-scale inward migration of planetary building blocks—either through type-I migration or radial drift of dust grains—that is more efficient for lower mass stars, but does not result in significantly larger or smaller planets

AN INCREASE IN THE MASS OF PLANETARY SYSTEMS AROUND LOWER-MASS STARS

Energy Technology Data Exchange (ETDEWEB)

Mulders, Gijs D.; Pascucci, Ilaria; Apai, Dániel, E-mail: mulders@lpl.arizona.edu [Lunar and Planetary Laboratory, The University of Arizona, Tucson, AZ 85721 (United States)

2015-12-01

Trends in the planet population with host star mass provide an avenue to constrain planet formation theories. We derive the planet radius distribution function for Kepler stars of different spectral types, sampling a range in host star masses. We find that M dwarf stars have 3.5 times more small planets (1.0–2.8 R{sub ⨁}) than main-sequence FGK stars, but two times fewer Neptune-sized and larger (>2.8 R{sub ⨁}) planets. We find no systematic trend in the planet size distribution between spectral types F, G, and K to explain the increasing occurrence rates. Taking into account the mass–radius relationship and heavy-element mass of observed exoplanets, and assuming those are independent of spectral type, we derive the inventory of the heavy-element mass locked up in exoplanets at short orbits. The overall higher planet occurrence rates around M stars are not consistent with the redistribution of the same mass into more, smaller planets. At the orbital periods and planet radii where Kepler observations are complete for all spectral types, the average heavy-element mass locked up in exoplanets increases roughly inversely with stellar mass from 4 M{sub ⨁} in F stars to 5 M{sub ⨁} in G and K stars to 7 M{sub ⨁} in M stars. This trend stands in stark contrast with observed protoplanetary disk masses that decrease toward lower mass stars, and provides a challenge for current planet formation models. Neither models of in situ formation nor migration of fully formed planets are consistent with these results. Instead, these results are indicative of large-scale inward migration of planetary building blocks—either through type-I migration or radial drift of dust grains—that is more efficient for lower mass stars, but does not result in significantly larger or smaller planets.

Metabolomics by Gas Chromatography-Mass Spectrometry: the combination of targeted and untargeted profiling

Science.gov (United States)

Fiehn, Oliver

2016-01-01

Gas chromatography-mass spectrometry (GC-MS)-based metabolomics is ideal for identifying and quantitating small molecular metabolites (metabolomics easily allows integrating targeted assays for absolute quantification of specific metabolites with untargeted metabolomics to discover novel compounds. Complemented by database annotations using large spectral libraries and validated, standardized standard operating procedures, GC-MS can identify and semi-quantify over 200 compounds per study in human body fluids (e.g., plasma, urine or stool) samples. Deconvolution software enables detection of more than 300 additional unidentified signals that can be annotated through accurate mass instruments with appropriate data processing workflows, similar to liquid chromatography-MS untargeted profiling (LC-MS). Hence, GC-MS is a mature technology that not only uses classic detectors (‘quadrupole’) but also target mass spectrometers (‘triple quadrupole’) and accurate mass instruments (‘quadrupole-time of flight’). This unit covers the following aspects of GC-MS-based metabolomics: (i) sample preparation from mammalian samples, (ii) acquisition of data, (iii) quality control, and (iv) data processing. PMID:27038389

Internal correction of spectral interferences and mass bias for selenium metabolism studies using enriched stable isotopes in combination with multiple linear regression.

Science.gov (United States)

Lunøe, Kristoffer; Martínez-Sierra, Justo Giner; Gammelgaard, Bente; Alonso, J Ignacio García

2012-03-01

The analytical methodology for the in vivo study of selenium metabolism using two enriched selenium isotopes has been modified, allowing for the internal correction of spectral interferences and mass bias both for total selenium and speciation analysis. The method is based on the combination of an already described dual-isotope procedure with a new data treatment strategy based on multiple linear regression. A metabolic enriched isotope ((77)Se) is given orally to the test subject and a second isotope ((74)Se) is employed for quantification. In our approach, all possible polyatomic interferences occurring in the measurement of the isotope composition of selenium by collision cell quadrupole ICP-MS are taken into account and their relative contribution calculated by multiple linear regression after minimisation of the residuals. As a result, all spectral interferences and mass bias are corrected internally allowing the fast and independent quantification of natural abundance selenium ((nat)Se) and enriched (77)Se. In this sense, the calculation of the tracer/tracee ratio in each sample is straightforward. The method has been applied to study the time-related tissue incorporation of (77)Se in male Wistar rats while maintaining the (nat)Se steady-state conditions. Additionally, metabolically relevant information such as selenoprotein synthesis and selenium elimination in urine could be studied using the proposed methodology. In this case, serum proteins were separated by affinity chromatography while reverse phase was employed for urine metabolites. In both cases, (74)Se was used as a post-column isotope dilution spike. The application of multiple linear regression to the whole chromatogram allowed us to calculate the contribution of bromine hydride, selenium hydride, argon polyatomics and mass bias on the observed selenium isotope patterns. By minimising the square sum of residuals for the whole chromatogram, internal correction of spectral interferences and mass

Influence of spectral history on PWR full core calculation results

International Nuclear Information System (INIS)

Bilodid, Y.; Mittag, S.

2011-01-01

The few-group cross section libraries, used by reactor dynamics codes, are affected by the spectral history effect-a dependence of fuel cross sections not only on burnup, but also on local spectral conditions during burnup. A cross section correction method based on Pu-239 concentration was implemented in the reactor dynamic code DYN3D. This paper describes the influence of a cross section correction on full-core calculation results. Steady-state and burnup characteristics of a PWR equilibrium cycle, calculated by DYN3D with and without cross section corrections, are compared. A study has shown a significant influence of spectral history on axial power and burnup distributions as well as on calculated cycle length. An impact of the correction on transient calculations is studied for a control rod ejection example. (Authors)

Mass spectral chemical fingerprints reveal the molecular dependence of exhaust particulate matters on engine speeds.

Science.gov (United States)

Li, Yi; Zhang, Hua; Zhao, Zongshan; Tian, Yong; Liu, Kun; Jie, Feifan; Zhu, Liang; Chen, Huanwen

2018-05-01

Particulate matters (PMs) emitted by automobile exhaust contribute to a significant fraction of the global PMs. Extractive atmospheric pressure chemical ionization mass spectrometry (EAPCI-MS) was developed to explore the molecular dependence of PMs collected from exhaust gases produced at different vehicle engine speeds. The mass spectral fingerprints of the organic compounds embedded in differentially sized PMs (e.g., 0.22-0.45, 0.45-1.00, 1.00-2.00, 2.00-3.00, 3.00-5.00, and 5.00-10.00μm) generated at different engine speeds (e.g., 1000, 1500, 2000, 2500, and 3000r/min) were chemically profiled in the mass range of mass to charge ratio (m/z) 50-800. Organic compounds, including alcohols, aldehydes, and esters, were detected in all the PMs tested, with varied concentration levels for each individual PM sample. At relatively low engine speeds (≤1500r/min), the total amount of organic species embedded in PMs of 0.22-1.00μm was greater than in PMs of other sizes, while more organic species were found in PMs of 5.00-10.00μm at high engine speeds (≥3000r/min), indicating that the organic compounds distributed in different sizes of PMs strongly correlated with the engine speed. The experimental data showed that the EAPCI-MS technique enables molecular characterization of PMs in exhaust, revealing the chemical dependence of PMs on the engine speeds (i.e., the combustion conditions) of automobiles. Copyright © 2017. Published by Elsevier B.V.

The universal library of fission products and delayed neutron group yields

International Nuclear Information System (INIS)

Koldobskiy, A.B.; Zhivun, V.M.

1997-01-01

A new fission product yield library based on the Semiempirical method for the estimation of their mass and charge distribution is described. Contrary to other compilations, this library can be used with all possible excitation energies of fissionable actinides. The library of delayed neutron group yields, based on the fission product yield compilation, is described as well. (author). 15 refs, 4 tabs

Mass dependence of spectral and angular distributions of Cherenkov radiation from relativistic isotopes in solid radiators and its possible application as mass selector

Science.gov (United States)

Bogdanov, O. V.; Rozhkova, E. I.; Pivovarov, Yu. L.; Kuzminchuk-Feuerstein, N.

2018-02-01

The first proof of principle experiment with a prototype of a Time-of-Flight (TOF) - Cherenkov detector of relativistic heavy ions (RHI) exploiting a liquid Iodine Naphthalene radiator has been performed at Cave C at GSI (Darmstadt, Germany). A conceptual design for a liquid Cherenkov detector was proposed as a prototype for the future TOF measurements at the Super-FRS by detection of total number of Cherenkov photons. The ionization energy loss of RHI in a liquid radiator decreases only slightly this number, while in a solid radiator changes sufficiently not the total number of ChR photons, but ChR angular and spectral distributions. By means of computer simulations, we showed that these distributions are very sensitive to the isotope mass, due to different stopping powers of isotopes with initial equal relativistic factors. The results of simulations for light (Li, Be) and heavy (Xe) isotopes at 500-1000 MeV/u are presented indicating the possibility to use the isotopic effect in ChR of RHI as the mass selector.

The Effect of Epidermal Structures on Leaf Spectral Signatures of Ice Plants (Aizoaceae

Directory of Open Access Journals (Sweden)

René Hans-Jürgen Heim

2015-12-01

Full Text Available Epidermal structures (ES of leaves are known to affect the functional properties and spectral responses. Spectral studies focused mostly on the effect of hairs or wax layers only. We studied a wider range of different ES and their impact on spectral properties. Additionally, we identified spectral regions that allow distinguishing different ES. We used a field spectrometer to measure ex situ leaf spectral responses from 350 nm–2500 nm. A spectral library for 25 species of the succulent family Aizoaceae was assembled. Five functional types were defined based on ES: flat epidermal cell surface, convex to papillary epidermal cell surface, bladder cells, hairs and wax cover. We tested the separability of ES using partial least squares discriminant analysis (PLS-DA based on the spectral data. Subsequently, variable importance (VIP was calculated to identify spectral regions relevant for discriminating our functional types (classes. Classification performance was high, with a kappa value of 0.9 indicating well-separable spectral classes. VIP calculations identified six spectral regions of increased importance for the classification. We confirmed and extended previous findings regarding the visible-near-infrared spectral region. Our experiments also confirmed that epidermal leaf traits can be classified due to clearly distinguishable spectral signatures across species and genera within the Aizoaceae.

Peak fitting and identification software library for high resolution gamma-ray spectra

International Nuclear Information System (INIS)

Uher, Josef; Roach, Greg; Tickner, James

2010-01-01

A new gamma-ray spectral analysis software package is under development in our laboratory. It can be operated as a stand-alone program or called as a software library from Java, C, C++ and MATLAB TM environments. It provides an advanced graphical user interface for data acquisition, spectral analysis and radioisotope identification. The code uses a peak-fitting function that includes peak asymmetry, Compton continuum and flexible background terms. Peak fitting function parameters can be calibrated as functions of energy. Each parameter can be constrained to improve fitting of overlapping peaks. All of these features can be adjusted by the user. To assist with peak identification, the code can automatically measure half-lives of single or multiple overlapping peaks from a time series of spectra. It implements library-based peak identification, with options for restricting the search based on radioisotope half-lives and reaction types. The software also improves the reliability of isotope identification by utilizing Monte-Carlo simulation results.

Global Convergence of a Spectral Conjugate Gradient Method for Unconstrained Optimization

Directory of Open Access Journals (Sweden)

Jinkui Liu

2012-01-01

Full Text Available A new nonlinear spectral conjugate descent method for solving unconstrained optimization problems is proposed on the basis of the CD method and the spectral conjugate gradient method. For any line search, the new method satisfies the sufficient descent condition gkTdk<−∥gk∥2. Moreover, we prove that the new method is globally convergent under the strong Wolfe line search. The numerical results show that the new method is more effective for the given test problems from the CUTE test problem library (Bongartz et al., 1995 in contrast to the famous CD method, FR method, and PRP method.

Detection and identification of drugs and toxicants in human body fluids by liquid chromatography-tandem mass spectrometry under data-dependent acquisition control and automated database search.

Science.gov (United States)

Oberacher, Herbert; Schubert, Birthe; Libiseller, Kathrin; Schweissgut, Anna

2013-04-03

Systematic toxicological analysis (STA) is aimed at detecting and identifying all substances of toxicological relevance (i.e. drugs, drugs of abuse, poisons and/or their metabolites) in biological material. Particularly, gas chromatography-mass spectrometry (GC/MS) represents a competent and commonly applied screening and confirmation tool. Herein, we present an untargeted liquid chromatography-tandem mass spectrometry (LC/MS/MS) assay aimed to complement existing GC/MS screening for the detection and identification of drugs in blood, plasma and urine samples. Solid-phase extraction was accomplished on mixed-mode cartridges. LC was based on gradient elution in a miniaturized C18 column. High resolution electrospray ionization-MS/MS in positive ion mode with data-dependent acquisition control was used to generate tandem mass spectral information that enabled compound identification via automated library search in the "Wiley Registry of Tandem Mass Spectral Data, MSforID". Fitness of the developed LC/MS/MS method for application in STA in terms of selectivity, detection capability and reliability of identification (sensitivity/specificity) was demonstrated with blank samples, certified reference materials, proficiency test samples, and authentic casework samples. Copyright © 2013 Elsevier B.V. All rights reserved.

About the Library - Betty Petersen Memorial Library

Science.gov (United States)

branch library of the NOAA Central Library. The library serves the NOAA Science Center in Camp Springs , Maryland. History and Mission: Betty Petersen Memorial Library began as a reading room in the NOAA Science Science Center staff and advises the library on all aspects of the library program. Library Newsletters

In Situ Measurements of Aerosol Mass Concentration and Spectral Absorption at Three Location in and Around Mexico City

Science.gov (United States)

Chaudhry, Z.; Martins, V.; Li, Z.

2006-12-01

As a result of population growth and increasing industrialization, air pollution in heavily populated urban areas is one of the central environmental problems of the century. As a part of the MILAGRO (Megacity Initiative: Local and Global Research Observations) study, Nuclepore filters were collected in two size ranges (PM10 and PM2.5) at 12 hour intervals at three location in Mexico during March, 2006. Sampling stations were located at the Instituto Mexicano del Petroleo (T0), at the Rancho La Bisnago in the State of Hidalgo (T2) and along the Gulf Coast in Tampico (Tam). Each filter was analyzed for mass concentration, aerosol scattering and absorption efficiencies. Mass concentrations at T0 ranged from 47 to 179 μg/m3 for PM10 with an average concentration of 96 μg/m3, and from 20 to 93 μg/m3 for PM2.5 with an average concentration of 41 μg/m3. Mass concentrations at T2 ranged from 12 to 154 μg/m3 for PM10 with an average concentration of 51 μg/m3, and from 7 to 50 μg/m3 for PM2.5 with an average concentration of 25 μg/m3. Mass concentrations at Tam ranged from 34 to 80 μg/m3 for PM10 with an average concentration of 52 μg/m3, and from 8 to 23 μg/m3 for PM2.5 with an average concentration of 13 μg/m3. While some of the extreme values are likely linked to local emissions, regional air pollution episodes also played important roles. Each of the sampling stations experienced a unique atmospheric condition. The site at T0 was influenced by urban air pollution and dust storms, the site at T2 was significantly less affected by air pollution but more affected by regional dust storms and local dust devils while Tam was influenced by air pollution, dust storms and the natural marine environment. The spectral mass absorption efficiency was measured from 350 to 2500 nm and shows large differences between the absorption properties of soil dust, black carbon, and organic aerosols. The strong spectral differences observed can be related to differences in

Application of self-organizing feature maps to analyze the relationships between ignitable liquids and selected mass spectral ions.

Science.gov (United States)

Frisch-Daiello, Jessica L; Williams, Mary R; Waddell, Erin E; Sigman, Michael E

2014-03-01

The unsupervised artificial neural networks method of self-organizing feature maps (SOFMs) is applied to spectral data of ignitable liquids to visualize the grouping of similar ignitable liquids with respect to their American Society for Testing and Materials (ASTM) class designations and to determine the ions associated with each group. The spectral data consists of extracted ion spectra (EIS), defined as the time-averaged mass spectrum across the chromatographic profile for select ions, where the selected ions are a subset of ions from Table 2 of the ASTM standard E1618-11. Utilization of the EIS allows for inter-laboratory comparisons without the concern of retention time shifts. The trained SOFM demonstrates clustering of the ignitable liquid samples according to designated ASTM classes. The EIS of select samples designated as miscellaneous or oxygenated as well as ignitable liquid residues from fire debris samples are projected onto the SOFM. The results indicate the similarities and differences between the variables of the newly projected data compared to those of the data used to train the SOFM. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

America's Star Libraries, 2010: Top-Rated Libraries

Science.gov (United States)

Lyons, Ray; Lance, Keith Curry

2010-01-01

The "LJ" Index of Public Library Service 2010, "Library Journal"'s national rating of public libraries, identifies 258 "star" libraries. Created by Ray Lyons and Keith Curry Lance, and based on 2008 data from the IMLS, it rates 7,407 public libraries. The top libraries in each group get five, four, or three stars. All included libraries, stars or…

Featured Library: Parrish Library

OpenAIRE

Kirkwood, Hal P, Jr

2015-01-01

The Roland G. Parrish Library of Management & Economics is located within the Krannert School of Management at Purdue University. Between 2005 - 2007 work was completed on a white paper that focused on a student-centered vision for the Management & Economics Library. The next step was a massive collection reduction and a re-envisioning of both the services and space of the library. Thus began a 3 phase renovation from a 2 floor standard, collection-focused library into a single floor, 18,000s...

Digital Culture and Digital Library

Directory of Open Access Journals (Sweden)

Yalçın Yalçınkaya

2016-12-01

Full Text Available In this study; digital culture and digital library which have a vital connection with each other are examined together. The content of the research consists of the interaction of culture, information, digital culture, intellectual technologies, and digital library concepts. The study is an entry work to integrity of digital culture and digital library theories and aims to expand the symmetry. The purpose of the study is to emphasize the relation between the digital culture and digital library theories acting intersection of the subjects that are examined. Also the perspective of the study is based on examining the literature and analytical evaluation in both studies (digital culture and digital library. Within this context, the methodology of the study is essentially descriptive and has an attribute for the transmission and synthesis of distributed findings produced in the field of the research. According to the findings of the study results, digital culture is an inclusive term that describes the effects of intellectual technologies in the field of information and communication. Information becomes energy and the spectrum of the information is expanding in the vertical rise through the digital culture. In this context, the digital library appears as a new living space of a new environment. In essence, the digital library is information-oriented; has intellectual technology support and digital platform; is in a digital format; combines information resources and tools in relationship/communication/cooperation by connectedness, and also it is the dynamic face of the digital culture in time and space independence. Resolved with the study is that the digital libraries are active and effective in the formation of global knowing and/or mass wisdom in the process of digital culture.

The mzqLibrary--An open source Java library supporting the HUPO-PSI quantitative proteomics standard.

Science.gov (United States)

Qi, Da; Zhang, Huaizhong; Fan, Jun; Perkins, Simon; Pisconti, Addolorata; Simpson, Deborah M; Bessant, Conrad; Hubbard, Simon; Jones, Andrew R

2015-09-01

The mzQuantML standard has been developed by the Proteomics Standards Initiative for capturing, archiving and exchanging quantitative proteomic data, derived from mass spectrometry. It is a rich XML-based format, capable of representing data about two-dimensional features from LC-MS data, and peptides, proteins or groups of proteins that have been quantified from multiple samples. In this article we report the development of an open source Java-based library of routines for mzQuantML, called the mzqLibrary, and associated software for visualising data called the mzqViewer. The mzqLibrary contains routines for mapping (peptide) identifications on quantified features, inference of protein (group)-level quantification values from peptide-level values, normalisation and basic statistics for differential expression. These routines can be accessed via the command line, via a Java programming interface access or a basic graphical user interface. The mzqLibrary also contains several file format converters, including import converters (to mzQuantML) from OpenMS, Progenesis LC-MS and MaxQuant, and exporters (from mzQuantML) to other standards or useful formats (mzTab, HTML, csv). The mzqViewer contains in-built routines for viewing the tables of data (about features, peptides or proteins), and connects to the R statistical library for more advanced plotting options. The mzqLibrary and mzqViewer packages are available from https://code.google.com/p/mzq-lib/. © 2015 The Authors. PROTEOMICS Published by Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

SLHAplus: A library for implementing extensions of the standard model

Science.gov (United States)

Bélanger, G.; Christensen, Neil D.; Pukhov, A.; Semenov, A.

2011-03-01

We provide a library to facilitate the implementation of new models in codes such as matrix element and event generators or codes for computing dark matter observables. The library contains an SLHA reader routine as well as diagonalisation routines. This library is available in CalcHEP and micrOMEGAs. The implementation of models based on this library is supported by LanHEP and FeynRules. Program summaryProgram title: SLHAplus_1.3 Catalogue identifier: AEHX_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHX_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 6283 No. of bytes in distributed program, including test data, etc.: 52 119 Distribution format: tar.gz Programming language: C Computer: IBM PC, MAC Operating system: UNIX (Linux, Darwin, Cygwin) RAM: 2000 MB Classification: 11.1 Nature of problem: Implementation of extensions of the standard model in matrix element and event generators and codes for dark matter observables. Solution method: For generic extensions of the standard model we provide routines for reading files that adopt the standard format of the SUSY Les Houches Accord (SLHA) file. The procedure has been generalized to take into account an arbitrary number of blocks so that the reader can be used in generic models including non-supersymmetric ones. The library also contains routines to diagonalize real and complex mass matrices with either unitary or bi-unitary transformations as well as routines for evaluating the running strong coupling constant, running quark masses and effective quark masses. Running time: 0.001 sec

reSpect: Software for Identification of High and Low Abundance Ion Species in Chimeric Tandem Mass Spectra

Science.gov (United States)

Shteynberg, David; Mendoza, Luis; Hoopmann, Michael R.; Sun, Zhi; Schmidt, Frank; Deutsch, Eric W.; Moritz, Robert L.

2015-11-01

Most shotgun proteomics data analysis workflows are based on the assumption that each fragment ion spectrum is explained by a single species of peptide ion isolated by the mass spectrometer; however, in reality mass spectrometers often isolate more than one peptide ion within the window of isolation that contribute to additional peptide fragment peaks in many spectra. We present a new tool called reSpect, implemented in the Trans-Proteomic Pipeline (TPP), which enables an iterative workflow whereby fragment ion peaks explained by a peptide ion identified in one round of sequence searching or spectral library search are attenuated based on the confidence of the identification, and then the altered spectrum is subjected to further rounds of searching. The reSpect tool is not implemented as a search engine, but rather as a post-search engine processing step where only fragment ion intensities are altered. This enables the application of any search engine combination in the iterations that follow. Thus, reSpect is compatible with all other protein sequence database search engines as well as peptide spectral library search engines that are supported by the TPP. We show that while some datasets are highly amenable to chimeric spectrum identification and lead to additional peptide identification boosts of over 30% with as many as four different peptide ions identified per spectrum, datasets with narrow precursor ion selection only benefit from such processing at the level of a few percent. We demonstrate a technique that facilitates the determination of the degree to which a dataset would benefit from chimeric spectrum analysis. The reSpect tool is free and open source, provided within the TPP and available at the TPP website.

Multigroup cross section library; WIMS library

International Nuclear Information System (INIS)

Kannan, Umasankari

2000-01-01

The WIMS library has been extensively used in thermal reactor calculations. This multigroup constants library was originally developed from the UKNDL in the late 60's and has been updated in 1986. This library has been distributed with the WIMS-D code by NEA data bank. The references to WIMS library in literature are the 'old' which is the original as developed by the AEA Winfrith and the 'new' which is the current 1986 WIMS library. IAEA has organised a CRP where a new and fully updated WIMS library will soon be available. This paper gives an overview of the definitions of the group constants that go into any basic nuclear data library used for reactor calculations. This paper also outlines the contents of the WIMS library and some of its shortcomings

The yeast metabolome addressed by electrospray ionization mass spectrometry: Initiation of a mass spectral library and its applications for metabolic footprinting by direct infusion mass spectrometry

DEFF Research Database (Denmark)

Højer-Pedersen, Jesper Juul; Smedsgaard, Jørn; Nielsen, Jens

2008-01-01

Mass spectrometry (MS) has been a major driver for metabolomics, and gas chromatography (GC)-MS has been one of the primary techniques used for microbial metabolomics. The use of liquid chromatography (LC)-MS has however been limited, but electrospray ionization (ESI) is very well suited...... for ionization of microbial metabolites without any previous derivatization needed. To address the capabilities of ESI-MS in detecting the metabolome of Saccharomyces cerevisiae, the in silico metabolome of this organism was used as a template to present a theoretical metabolome. This showed that in combination......, which could be assigned using the in silico metabolome. By this approach metabolic footprinting can advance from a classification method that is used to derive biological information based on guilt-by-association, to a tool for extraction of metabolic differences, which can guide new targeted biological...

The spectral imaging facility: Setup characterization

Energy Technology Data Exchange (ETDEWEB)

De Angelis, Simone, E-mail: simone.deangelis@iaps.inaf.it; De Sanctis, Maria Cristina; Manzari, Paola Olga [Institute for Space Astrophysics and Planetology, INAF-IAPS, Via Fosso del Cavaliere, 100, 00133 Rome (Italy); Ammannito, Eleonora [Institute for Space Astrophysics and Planetology, INAF-IAPS, Via Fosso del Cavaliere, 100, 00133 Rome (Italy); Department of Earth, Planetary and Space Sciences, University of California, Los Angeles, Los Angeles, California 90095-1567 (United States); Di Iorio, Tatiana [ENEA, UTMEA-TER, Rome (Italy); Liberati, Fabrizio [Opto Service SrL, Campagnano di Roma (RM) (Italy); Tarchi, Fabio; Dami, Michele; Olivieri, Monica; Pompei, Carlo [Selex ES, Campi Bisenzio (Italy); Mugnuolo, Raffaele [Italian Space Agency, ASI, Spatial Geodesy Center, Matera (Italy)

2015-09-15

The SPectral IMager (SPIM) facility is a laboratory visible infrared spectrometer developed to support space borne observations of rocky bodies of the solar system. Currently, this laboratory setup is used to support the DAWN mission, which is in its journey towards the asteroid 1-Ceres, and to support the 2018 Exo-Mars mission in the spectral investigation of the Martian subsurface. The main part of this setup is an imaging spectrometer that is a spare of the DAWN visible infrared spectrometer. The spectrometer has been assembled and calibrated at Selex ES and then installed in the facility developed at the INAF-IAPS laboratory in Rome. The goal of SPIM is to collect data to build spectral libraries for the interpretation of the space borne and in situ hyperspectral measurements of planetary materials. Given its very high spatial resolution combined with the imaging capability, this instrument can also help in the detailed study of minerals and rocks. In this paper, the instrument setup is first described, and then a series of test measurements, aimed to the characterization of the main subsystems, are reported. In particular, laboratory tests have been performed concerning (i) the radiation sources, (ii) the reference targets, and (iii) linearity of detector response; the instrumental imaging artifacts have also been investigated.

Identification of acetates in elasmopalpulus lignosellus pheromone glands using a newly created mass spectral database and kóvats retention indices

Directory of Open Access Journals (Sweden)

Gulab N. Jham

2007-08-01

Full Text Available Based on a specially created mass spectral database utilizing 23 tetradecenyl and 22 hexadecenyl acetate standards along with Kóvats retention indices obtained on a very polar stationary phase [poly (biscyanopropyl siloxane] (SP 2340, (Z-9-hexadecenyl acetate, (Z-11-hexadecenyl acetate and (E-8-hexadecenyl acetate were identified in active pheromone extracts of Elasmopalpus lignosellus. This identification was more efficient than our previous study using gas chromatography/mass spectrometry with a dimethyl disulfide derivative where we could only identify the first two acetates. The acetate composition of the pheromone gland differed from region to region in Brazil and from that from the Tifton (GA, USA population, suggesting polymorphism or a different sub-species.

MARC and the Library Service Center: Automation at Bargain Rates.

Science.gov (United States)

Pearson, Karl M.

Despite recent research and development in the field of library automation, libraries have been unable to reap the benefits promised by technology due to the high cost of building and maintaining their own computer-based systems. Time-sharing and disc mass storage devices will bring automation costs, if spread over a number of users, within the…

Some properties of spectral binary stars

International Nuclear Information System (INIS)

Krajcheva, Z.T.; Popova, E.I.; Tutukov, A.V.; Yungel'son, L.R.; AN SSSR, Moscow. Astronomicheskij Sovet)

1978-01-01

Statistical investigations of spectra binary stars are carried out. Binary systems consisting of main sequence stars are considered. For 826 binary stars masses of components, ratios of component masses, semiaxes of orbits and orbital angular momenta are calculated. The distributions of these parameters and their correlations are analyzed. The dependences of statistical properties of spectral binary stars on their origin and evolution are discussed

Validation of the 172 group ENDFB7GX library

International Nuclear Information System (INIS)

Khan, Suhail Ahmad; Raj, Devesh; Karthikeyan, R.; Jagannathan, V.

2007-01-01

Full text: Five 172 group libraries, viz., IAEAGX, ENDFB6GX, JENDL3GX, JEFF31GX, and LWRPSGX were obtained as a part of the IAEA WIMS Library Update Project (WLUP). The first four libraries have data available for 173 nuclides up to 244 Cm. The LWRPSGX library based on JEFF3.1 point dataset is an extended library up to 252 Cf. Data for 12 more actinides and the related burnup chain were added. The five libraries were validated against known experiments in an earlier work. In general the LWRPSGX was found to be giving better results. Recently another version of 172 group library 'ENDFB7GX' has been released. In the present work we provide the results of validation of the ENDFB7GX library against the same set of experimental data and a comparison with results of other libraries. The experimental configuration data include a variety of uniform lattices with enriched UO 2 , U- metal, mixed oxide (UO 2 -PuO 2 ) fuels with H 2 O and D 2 O moderators for a wide range of enrichment, fuel diameter and ratio of moderator to fuel volume (V m /V f ). The calculations have been done using the code LATTEST which solves the single pin lattice cell problem by 1-D multi-group transport theory after cylindricalising the square or hexagonal cell boundary. The LATTEST code is an improved version of the MURLI code and is capable of providing a ready testing of any new cross section library against a set of experimental benchmark lattices collected from various sources. The calculated k eff values and certain spectral indices, where available, have been compared for all the libraries for more than hundred critical lattices. There is a general under prediction of k eff values by all libraries. The maximum under prediction is for ENDFB6GX library and the least is for JENDL3GX library. The ENDFB7GX library, in general, is found to over predict in comparison to the k eff values obtained using LWRPSGX library. While scrutinizing the basic nuclear data it was noted that the slowing down cross

Estimation of sub-pixel water area on Tibet plateau using multiple endmembers spectral mixture spectral analysis from MODIS data

Science.gov (United States)

Cui, Qian; Shi, Jiancheng; Xu, Yuanliu

2011-12-01

Water is the basic needs for human society, and the determining factor of stability of ecosystem as well. There are lots of lakes on Tibet Plateau, which will lead to flood and mudslide when the water expands sharply. At present, water area is extracted from TM or SPOT data for their high spatial resolution; however, their temporal resolution is insufficient. MODIS data have high temporal resolution and broad coverage. So it is valuable resource for detecting the change of water area. Because of its low spatial resolution, mixed-pixels are common. In this paper, four spectral libraries are built using MOD09A1 product, based on that, water body is extracted in sub-pixels utilizing Multiple Endmembers Spectral Mixture Analysis (MESMA) using MODIS daily reflectance data MOD09GA. The unmixed result is comparing with contemporaneous TM data and it is proved that this method has high accuracy.

The value of energy spectral CT in the differential diagnosis between benign and malignant soft tissue masses of the musculoskeletal system

Energy Technology Data Exchange (ETDEWEB)

Sun, Xin [Department of Radiology, The Affiliated Hospital of Qingdao University, Qingdao, Shandong (China); Shao, Xiaodong [Department of Radiology, Qingdao Municipal Hospital, Qingdao, Shandong (China); Chen, Haisong, E-mail: chsEJR@163.com [Department of Radiology, The Affiliated Hospital of Qingdao University, Qingdao, Shandong (China)

2015-06-15

Highlights: • Different types of tissues have different types of spectral curves. • We find that spectral curve is useful in the differential diagnosis of benign and malignant tumor of the musculoskeletal system. • Arc shaped curve is a specific sign for tumors containing abundant fat. - Abstract: Objective: To explore the value of energy spectral CT in the differential diagnosis between benign and malignant tumor of the musculoskeletal system. Methods: Energy spectral CT scan was performed on 100 patients with soft tissue mass caused by musculoskeletal tumors found by MRI. Solid areas with homogenous density were chosen as region of interests (ROI), avoiding necrosis, hemorrhage and calcification region. Select the optimal keV on single energy images, and then the keV–CT curve was automatically generated. All 100 cases of tumors proved by histological examination were divided into four groups, 38 cases were in benign group, 10 cases in borderline group, 49 cases in malignant group, and 3 cases of lipoma (that were analyzed separately since its curve was arc shaped, significantly different from other curves). The formula used to calculate the slope of spectral curve was as follows: slope = (Hu40 keV − Hu80 keV)/40. As the slope was steep within the range of 40–80 keV based on preliminary observations, 40 keV and 80 keV were used as the reference points to calculate the slope value of the energy spectral curve. Kruskal–Wallis rank sum test was applied for statistical analysis, and P < 0.05 was considered to indicate a statistically significant difference. Results: The spectral curve of benign group was gradually falling type with a mean slope of 0.75 ± 0.30, that of malignant group was sharply falling type with a mean slope of 1.64 ± 1.00, and that of borderline group was a falling type between the above two groups with a mean slope of 1.34 ± 0.45. The differences of slopes between benign and malignant group, benign and borderline group were of

Library 3.0 intelligent libraries and apomediation

CERN Document Server

Kwanya, Tom; Underwood, Peter

2015-01-01

The emerging generation of research and academic library users expect the delivery of user-centered information services. 'Apomediation' refers to the supporting role librarians can give users by stepping in when users need help. Library 3.0 explores the ongoing debates on the "point oh” phenomenon and its impact on service delivery in libraries. This title analyses Library 3.0 and its potential in creating intelligent libraries capable of meeting contemporary needs, and the growing role of librarians as apomediators. Library 3.0 is divided into four chapters. The first chapter introduces and places the topic in context. The second chapter considers "point oh” libraries. The third chapter covers library 3.0 librarianship, while the final chapter explores ways libraries can move towards '3.0'.

Croatian library leaders’ views on (their library quality

Directory of Open Access Journals (Sweden)

Kornelija Petr Balog

2014-04-01

Full Text Available The purpose of this paper is to determine and describe the library culture in Croatian public libraries. Semi-structured interviews with 14 library directors (ten public and four academic were conducted. The tentative discussion topics were: definition of quality, responsibility for quality, satisfaction with library services, familiarization with user perspective of library and librarians, monitoring of user expectations and opinions. These interviews incorporate some of the findings of the project Evaluation of library and information services: public and academic libraries. The project investigates library culture in Croatian public and academic libraries and their preparedness for activities of performance measurement. The interviews reveal that library culture has changed positively in the past few years and that library leaders have positive attitude towards quality and evaluation activities. Library culture in Croatian libraries is a relatively new concept and as such was not actively developed and/or created. This article looks into the library culture of Croatian libraries, but at the same time investigates whether there is any trace of culture of assessment in them. Also, this article brings the latest update on views, opinions and atmosphere in Croatian public and academic libraries.

The Complex Refractive Index of Volcanic Ash Aerosol Retrieved From Spectral Mass Extinction

Science.gov (United States)

Reed, Benjamin E.; Peters, Daniel M.; McPheat, Robert; Grainger, R. G.

2018-01-01

The complex refractive indices of eight volcanic ash samples, chosen to have a representative range of SiO2 contents, were retrieved from simultaneous measurements of their spectral mass extinction coefficient and size distribution. The mass extinction coefficients, at 0.33-19 μm, were measured using two optical systems: a Fourier transform spectrometer in the infrared and two diffraction grating spectrometers covering visible and ultraviolet wavelengths. The particle size distribution was measured using a scanning mobility particle sizer and an optical particle counter; values for the effective radius of ash particles measured in this study varied from 0.574 to 1.16 μm. Verification retrievals on high-purity silica aerosol demonstrated that the Rayleigh continuous distribution of ellipsoids (CDEs) scattering model significantly outperformed Mie theory in retrieving the complex refractive index, when compared to literature values. Assuming the silica particles provided a good analogue of volcanic ash, the CDE scattering model was applied to retrieve the complex refractive index of the eight ash samples. The Lorentz formulation of the complex refractive index was used within the retrievals as a convenient way to ensure consistency with the Kramers-Kronig relation. The short-wavelength limit of the electric susceptibility was constrained by using independently measured reference values of the complex refractive index of the ash samples at a visible wavelength. The retrieved values of the complex refractive indices of the ash samples showed considerable variation, highlighting the importance of using accurate refractive index data in ash cloud radiative transfer models.

SNSEDextend: SuperNova Spectral Energy Distributions extrapolation toolkit

Science.gov (United States)

Pierel, Justin D. R.; Rodney, Steven A.; Avelino, Arturo; Bianco, Federica; Foley, Ryan J.; Friedman, Andrew; Hicken, Malcolm; Hounsell, Rebekah; Jha, Saurabh W.; Kessler, Richard; Kirshner, Robert; Mandel, Kaisey; Narayan, Gautham; Filippenko, Alexei V.; Scolnic, Daniel; Strolger, Louis-Gregory

2018-05-01

SNSEDextend extrapolates core-collapse and Type Ia Spectral Energy Distributions (SEDs) into the UV and IR for use in simulations and photometric classifications. The user provides a library of existing SED templates (such as those in the authors' SN SED Repository) along with new photometric constraints in the UV and/or NIR wavelength ranges. The software then extends the existing template SEDs so their colors match the input data at all phases. SNSEDextend can also extend the SALT2 spectral time-series model for Type Ia SN for a "first-order" extrapolation of the SALT2 model components, suitable for use in survey simulations and photometric classification tools; as the code does not do a rigorous re-training of the SALT2 model, the results should not be relied on for precision applications such as light curve fitting for cosmology.

Screening of environmental contaminants in honey bee wax comb using gas chromatography-high-resolution time-of-flight mass spectrometry.

Science.gov (United States)

Gómez-Ramos, M M; García-Valcárcel, A I; Tadeo, J L; Fernández-Alba, A R; Hernando, M D

2016-03-01

This study reports an analytical approach intended to be used for investigation of non-targeted environmental contaminants and to characterize the organic pollution pattern of bee wax comb samples. The method comprises a generic extraction followed by detection with gas chromatography coupled to high-resolution time-of-flight mass spectrometry (GC-TOF-MS), operated in electron impact ionization (EI) mode. The screening approach for the investigation of non-targeted contaminants consisted of initial peak detection by deconvolution and matching the first-stage mass spectra EI-MS(1) with a nominal mass spectral library. To gain further confidence in the structural characterization of the contaminants under investigation, the molecular formula of representative ions (molecular ion when present in the EI spectrum) and, for at least other two fragment ions, was provided for those with an accurate mass scoring (mass error contaminants in 50 samples of bee wax comb. This approach has allowed the tentative identification of some GC-amenable contaminants belonging to different chemical groups, among them, phthalates and polycyclic aromatic hydrocarbons (PAHs), along with residues of veterinary treatments used in apiculture.

The value of energy spectral CT in the differential diagnosis between benign and malignant soft tissue masses of the musculoskeletal system.

Science.gov (United States)

Sun, Xin; Shao, Xiaodong; Chen, Haisong

2015-06-01

To explore the value of energy spectral CT in the differential diagnosis between benign and malignant tumor of the musculoskeletal system. Energy spectral CT scan was performed on 100 patients with soft tissue mass caused by musculoskeletal tumors found by MRI. Solid areas with homogenous density were chosen as region of interests (ROI), avoiding necrosis, hemorrhage and calcification region. Select the optimal keV on single energy images, and then the keV-CT curve was automatically generated. All 100 cases of tumors proved by histological examination were divided into four groups, 38 cases were in benign group, 10 cases in borderline group, 49 cases in malignant group, and 3 cases of lipoma (that were analyzed separately since its curve was arc shaped, significantly different from other curves). The formula used to calculate the slope of spectral curve was as follows: slope=(Hu40 keV-Hu80 keV)/40. As the slope was steep within the range of 40-80 keV based on preliminary observations, 40 keV and 80 keV were used as the reference points to calculate the slope value of the energy spectral curve. Kruskal-Wallis rank sum test was applied for statistical analysis, and Pbenign and malignant group, benign and borderline group were of statistical significance (Pbenign and malignant tumor of the musculoskeletal system. Arc shaped curve is a specific sign for tumors containing abundant fat. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

From Libraries to ‘Libratories’

Directory of Open Access Journals (Sweden)

Leo Waaijers

2006-04-01

Full Text Available While the eighties of the last century were a time of local automation for libraries and the nineties the decade in which libraries embraced the internet and the WWW, now is the age in which the big search engines and institutional repositories are gaining a firm footing. This heralds a new era in both the evolution of scholarly communication and its agencies themselves, i.e. the libraries. Until now libraries and publishers have developed a digital variant of existing processes and products, i.e. catalogues posted on the Web, scanned copies of articles, e-mail notification about acquisitions or expired lending periods, or traditional journals in a digital jacket. However, the new OAI repositories and services based upon them have given rise to entirely new processes and products, libraries transforming themselves into partners in setting up virtual learning environments, building an institution’s digital showcase, maintaining academics’ personal websites, designing refereed portals and – further into the future – taking part in organising virtual research environments or collaboratories. Libraries are set to metamorphose into ‘libratories’, an imaginary word to express their combined functions of library, repository and collaboratory. In such environments scholarly communication will be liberated from its current copyright bridle while its coverage will be both broader - including primary data, audiovisuals and dynamic models - and deeper, with cross-disciplinary analyses of methodologies and applications of instruments. Universities will make it compulsory to store in their institutional repositories the results of research conducted within their walls for purposes of academic reporting, review committees, and other modes of clarification and explanation. Big search engines will provide access to this profusion of information and organise its mass customisation.

Simplification of gamma-ray spectral data by using Fourier transform

International Nuclear Information System (INIS)

Tominaga, Shoji; Nagata, Shojiro; Nayatani, Yoshinobu; Ueda, Isamu; Sasaki, Satoshi.

1977-01-01

A method is proposed to represent γ-ray response spectra by Fourier series for the purpose of compressing spectral data. The usefulness of the method was confirmed by applying it to a spectral library of a NaI detector. In the method, a response spectrum as a wave is described by superposition of sine (cosine) waves with low frequencies, whose coefficient parameters can be obtained by a Fast Fourier Transform program. The relation between the number of parameters and the fitting error is discussed, and as the result, it is shown that the number of parameters can be reduced to about a half. The merits and features are presented in practical application of the method to the analysis of γ-ray spectra. (auth.)

Generation and validation of the WIMS-D5 library based on JENDL-3.2

International Nuclear Information System (INIS)

Gil, Choong-Sup; Kim, Jung-Do

2002-01-01

A WIMS-D5 library based on JENDL-3.2 has been prepared and is being tested against benchmark problems. Several sensitivity calculations for stability confirmation of the library were carried out, such as fission spectrum dependency and the self-shielding effects of the elastic scattering cross sections and the self-shielding effects 240 Pu and 242 Pu capture cross sections below 4.0 eV. The results of benchmark calculations with the libraries based on JENDL-3.2, ENDF/B-VI.5, JEF-2.2, and the 1986 WIMS-D library were intercompared. The multiplication factors for the thermal lattices are slightly underpredicted by all libraries (up to 1% with ENDF/B-VI.5). The k eff values with the library based on JENDL-3.2 are slightly higher than those of ENDF/B-VI.5 and JEF-2.2. The spectral indices for the lattices with JENDL-3.2 agree with the measured quantities within the uncertainties of the experiments. The calculated amounts of some isotopes such as 149 Sm, 237 Np, 238 Pu, 242 Cm and 243 Cm show large differences from the measured or reference values. (author)

An expert computer program for classifying stars on the MK spectral classification system

International Nuclear Information System (INIS)

Gray, R. O.; Corbally, C. J.

2014-01-01

This paper describes an expert computer program (MKCLASS) designed to classify stellar spectra on the MK Spectral Classification system in a way similar to humans—by direct comparison with the MK classification standards. Like an expert human classifier, the program first comes up with a rough spectral type, and then refines that spectral type by direct comparison with MK standards drawn from a standards library. A number of spectral peculiarities, including barium stars, Ap and Am stars, λ Bootis stars, carbon-rich giants, etc., can be detected and classified by the program. The program also evaluates the quality of the delivered spectral type. The program currently is capable of classifying spectra in the violet-green region in either the rectified or flux-calibrated format, although the accuracy of the flux calibration is not important. We report on tests of MKCLASS on spectra classified by human classifiers; those tests suggest that over the entire HR diagram, MKCLASS will classify in the temperature dimension with a precision of 0.6 spectral subclass, and in the luminosity dimension with a precision of about one half of a luminosity class. These results compare well with human classifiers.

An expert computer program for classifying stars on the MK spectral classification system

Energy Technology Data Exchange (ETDEWEB)

Gray, R. O. [Department of Physics and Astronomy, Appalachian State University, Boone, NC 26808 (United States); Corbally, C. J. [Vatican Observatory Research Group, Tucson, AZ 85721-0065 (United States)

2014-04-01

This paper describes an expert computer program (MKCLASS) designed to classify stellar spectra on the MK Spectral Classification system in a way similar to humans—by direct comparison with the MK classification standards. Like an expert human classifier, the program first comes up with a rough spectral type, and then refines that spectral type by direct comparison with MK standards drawn from a standards library. A number of spectral peculiarities, including barium stars, Ap and Am stars, λ Bootis stars, carbon-rich giants, etc., can be detected and classified by the program. The program also evaluates the quality of the delivered spectral type. The program currently is capable of classifying spectra in the violet-green region in either the rectified or flux-calibrated format, although the accuracy of the flux calibration is not important. We report on tests of MKCLASS on spectra classified by human classifiers; those tests suggest that over the entire HR diagram, MKCLASS will classify in the temperature dimension with a precision of 0.6 spectral subclass, and in the luminosity dimension with a precision of about one half of a luminosity class. These results compare well with human classifiers.

Spectral functions in quantum chromodynamics and applications

International Nuclear Information System (INIS)

Tran, M.D.

1981-01-01

The longitudinal and transverse spectral functions for arbitrary conserved and non-conserved vector and axial vector currents of massive quarks are calculated to first order in α/sub s/ and exact analytical expressions are given. As an intermediate step the form factors to the same order in α/sub s/ are determined. A remarkably simple result for the combination of the spectral functions corresponding to the Weinberg's first sum rule is derived. It behaves asymptotically like α/sub s/s 2 thus ensuring the convergence of the sum rule. The Weinberg's second sum rule is shown to fail to hold, a new sum rule is then proposed to replace the original one. The current algebra calculation of the pion electromagnetic mass difference is reexamined in the light of quantum chromodynamics. The old analysis cannot be upheld because of the failure of the Weinberg's second sum rule. After a modification based on Dashen's theorem, the proposed sum rule then can be used to obtain a mass difference close to experimental value. Using the derived QCD corrected spectral functions on finite Q 2 sum rules, the current couplings of the five low-lying mesons π, rho, K, K*, A 1 are computed. For values of quark masses m/sub u/ = m/sub d/ = 0.25 GeV, m/sub s/ = 0.4 GeV and of the QCD scale parameter Λ = 0.5 GeV, a striking agreement with experiment is obtained. We investigate decay properties of the intermediate vector bosons Z, W. Gluonic corrections to hadronic decay modes are calculated with the account of quark mass effect. Implications of the results for decay widths, branching ratios are examined. The ratio R of reaction e + e - → hadrons is calculated to first order in α/sub s/, the quark mass effect is shown to be important

Optimization of reference library used in content-based medical image retrieval scheme

International Nuclear Information System (INIS)

Park, Sang Cheol; Sukthankar, Rahul; Mummert, Lily; Satyanarayanan, Mahadev; Zheng Bin

2007-01-01

Building an optimal image reference library is a critical step in developing the interactive computer-aided detection and diagnosis (I-CAD) systems of medical images using content-based image retrieval (CBIR) schemes. In this study, the authors conducted two experiments to investigate (1) the relationship between I-CAD performance and size of reference library and (2) a new reference selection strategy to optimize the library and improve I-CAD performance. The authors assembled a reference library that includes 3153 regions of interest (ROI) depicting either malignant masses (1592) or CAD-cued false-positive regions (1561) and an independent testing data set including 200 masses and 200 false-positive regions. A CBIR scheme using a distance-weighted K-nearest neighbor algorithm is applied to retrieve references that are considered similar to the testing sample from the library. The area under receiver operating characteristic curve (A z ) is used as an index to evaluate the I-CAD performance. In the first experiment, the authors systematically increased reference library size and tested I-CAD performance. The result indicates that scheme performance improves initially from A z =0.715 to 0.874 and then plateaus when the library size reaches approximately half of its maximum capacity. In the second experiment, based on the hypothesis that a ROI should be removed if it performs poorly compared to a group of similar ROIs in a large and diverse reference library, the authors applied a new strategy to identify 'poorly effective' references. By removing 174 identified ROIs from the reference library, I-CAD performance significantly increases to A z =0.914 (p<0.01). The study demonstrates that increasing reference library size and removing poorly effective references can significantly improve I-CAD performance

reSpect: software for identification of high and low abundance ion species in chimeric tandem mass spectra.

Science.gov (United States)

Shteynberg, David; Mendoza, Luis; Hoopmann, Michael R; Sun, Zhi; Schmidt, Frank; Deutsch, Eric W; Moritz, Robert L

2015-11-01

Most shotgun proteomics data analysis workflows are based on the assumption that each fragment ion spectrum is explained by a single species of peptide ion isolated by the mass spectrometer; however, in reality mass spectrometers often isolate more than one peptide ion within the window of isolation that contribute to additional peptide fragment peaks in many spectra. We present a new tool called reSpect, implemented in the Trans-Proteomic Pipeline (TPP), which enables an iterative workflow whereby fragment ion peaks explained by a peptide ion identified in one round of sequence searching or spectral library search are attenuated based on the confidence of the identification, and then the altered spectrum is subjected to further rounds of searching. The reSpect tool is not implemented as a search engine, but rather as a post-search engine processing step where only fragment ion intensities are altered. This enables the application of any search engine combination in the iterations that follow. Thus, reSpect is compatible with all other protein sequence database search engines as well as peptide spectral library search engines that are supported by the TPP. We show that while some datasets are highly amenable to chimeric spectrum identification and lead to additional peptide identification boosts of over 30% with as many as four different peptide ions identified per spectrum, datasets with narrow precursor ion selection only benefit from such processing at the level of a few percent. We demonstrate a technique that facilitates the determination of the degree to which a dataset would benefit from chimeric spectrum analysis. The reSpect tool is free and open source, provided within the TPP and available at the TPP website. Graphical Abstract ᅟ.

Libraries for users services in academic libraries

CERN Document Server

Alvite, Luisa

2010-01-01

This book reviews the quality and evolution of academic library services. It revises service trends offered by academic libraries and the challenge of enhancing traditional ones such as: catalogues, repositories and digital collections, learning resources centres, virtual reference services, information literacy and 2.0 tools.studies the role of the university library in the new educational environment of higher educationrethinks libraries in academic contextredefines roles for academic libraries

Dirac spectral density and mass anomalous dimension in 2+1 flavor QCD

Directory of Open Access Journals (Sweden)

Nakayama Katsumasa

2018-01-01

Full Text Available We compute the Dirac spectral density of QCD in a wide range of eigenvalues by using a stochastic method. We use 2+1 flavor lattice ensembles generated with Mobius domain-wall fermion at three lattice spacings (a = 0:083; 0:055; 0:044 fm to estimate the continuum limit. The discretization effect can be minimized by a generalization of the valence domain-wall fermion. The spectral density at relatively high eigenvalues can be matched with perturbation theory. We compare the lattice results with the perturbative expansion available to O(α4s.

Updating of the LEOPARD data library

International Nuclear Information System (INIS)

Henrique Claro, L.; Cunha Menezes Filho, A. da

1984-01-01

The LEOPARD library is being updated and tested for typical PWR unit cells with enrichments ranging from 1.0 to 4.1%(W/o) and H 2 O:U ratios varying from 1.0 to 10.0. A reasonably good agreement with experimental values for some spectral indices is obtained if the fission cross-section of 235 U is reduced by 0.6% in the thermal range and by 20% in the epithermal range, the epithermal capture cross-section for 235 U is increased by about 20% and the number of neutrons per fission in the thermal range of 235 U is increased by 0.8%. (author)

The moderization of the Leopard library

International Nuclear Information System (INIS)

Claro, L.H.; Cunha Menezes Filho, A. da.

1983-07-01

The LEOPARD library is updated and tested for typical PWR unit cells with enrichment ranging from 1.0 to 4.%(W/o) and H 2 O:U ratio varying from 1.0 to 10.0. A reasonably good agreement with experimental values for some spectral indices is obtained if the fission cross section of U-235 is reduced by .6% in the thermal range and by 20% in the epithermal range; the epithermal capture cross section for U-238 is increased by about 20% and the number of neutrons per fission in the thermal range of U-235 is increased by .8%. (Author) [pt

Beautiful mesons from QCD spectral sum rules

International Nuclear Information System (INIS)

Narison, S.

1991-01-01

We discuss the beautiful meson from the point of view of the QCD spectral sum rules (QSSR). The bottom quark mass and the mixed light quark-gluon condensates are determined quite accurately. The decay constant f B is estimated and we present some arguments supporting this result. The decay constants and the masses of the other members of the beautiful meson family are predicted. (orig.)

SCHOOL COMMUNITY PERCEPTION OF LIBRARY APPS AGAINTS LIBRARY EMPOWERMENT

Directory of Open Access Journals (Sweden)

Achmad Riyadi Alberto

2017-07-01

Full Text Available Abstract. This research is motivated by the development of information and communication technology (ICT in the library world so rapidly that allows libraries in the present to develop its services into digital-based services. This study aims to find out the school community’s perception of library apps developed by Riche Cynthia Johan, Hana Silvana, and Holin Sulistyo and its influence on library empowerment at the library of SD Laboratorium Percontohan UPI Bandung. Library apps in this research belong to the context of m-libraries, which is a library that meets the needs of its users by using mobile platforms such as smartphones,computers, and other mobile devices. Empowerment of library is the utilization of all aspects of the implementation of libraries to the best in order to achieve the expected goals. An analysis of the schoolcommunity’s perception of library apps using the Technology Acceptance Model (TAM includes: ease of use, usefulness, usability, usage trends, and real-use conditions. While the empowerment of the library includes aspects: information empowerment, empowerment of learning resources, empowerment of human resources, empowerment of library facilities, and library promotion. The research method used in this research is descriptive method with quantitative approach. Population and sample in this research is school community at SD Laboratorium Percontohan UPI Bandung. Determination of sample criteria by using disproportionate stratified random sampling with the number of samples of 83 respondents. Data analysis using simple linear regression to measure the influence of school community perception about library apps to library empowerment. The result of data analysis shows that there is influence between school community perception about library apps to library empowerment at library of SD Laboratorium Percontohan UPI Bandung which is proved by library acceptance level and library empowerment improvement.

Spectral Feature Analysis of Minerals and Planetary Surfaces in an Introductory Planetary Science Course

Science.gov (United States)

Urban, Michael J.

2013-01-01

Using an ALTA II reflectance spectrometer, the USGS digital spectral library, graphs of planetary spectra, and a few mineral hand samples, one can teach how light can be used to study planets and moons. The author created the hands-on, inquiry-based activity for an undergraduate planetary science course consisting of freshman to senior level…

THE AKARI 2.5-5.0 μm SPECTRAL ATLAS OF TYPE-1 ACTIVE GALACTIC NUCLEI: BLACK HOLE MASS ESTIMATOR, LINE RATIO, AND HOT DUST TEMPERATURE

Energy Technology Data Exchange (ETDEWEB)

Kim, Dohyeong; Im, Myungshin; Kim, Ji Hoon; Jun, Hyunsung David; Lee, Seong-Kook [Center for the Exploration of the Origin of the Universe (CEOU), Astronomy Program, Department of Physics and Astronomy, Seoul National University, Shillim-Dong, Kwanak-Gu, Seoul 151-742 (Korea, Republic of); Woo, Jong-Hak; Lee, Hyung Mok; Lee, Myung Gyoon [Astronomy Program, Department of Physics and Astronomy, Seoul National University, Shillim-Dong, Kwanak-Gu, Seoul 151-742 (Korea, Republic of); Nakagawa, Takao; Matsuhara, Hideo; Wada, Takehiko; Takagi, Toshinobu [Institute of Space and Astronautical Science, Japan Aerospace Exploration Agency, Sagamihara, Kanagawa 252-5210 (Japan); Oyabu, Shinki [Graduate School of Science, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8602 (Japan); Ohyama, Youichi, E-mail: dohyeong@astro.snu.ac.kr, E-mail: mim@astro.snu.ac.kr [Institute of Astronomy and Astrophysics, Academia Sinica, P.O. Box 23-141, Taipei 106, Taiwan (China)

2015-01-01

We present 2.5-5.0 μm spectra of 83 nearby (0.002 < z < 0.48) and bright (K < 14 mag) type-1 active galactic nuclei (AGNs) taken with the Infrared Camera on board AKARI. The 2.5-5.0 μm spectral region contains emission lines such as Brβ (2.63 μm), Brα (4.05 μm), and polycyclic aromatic hydrocarbons (3.3 μm), which can be used for studying the black hole (BH) masses and star formation activity in the host galaxies of AGNs. The spectral region also suffers less dust extinction than in the ultra violet (UV) or optical wavelengths, which may provide an unobscured view of dusty AGNs. Our sample is selected from bright quasar surveys of Palomar-Green and SNUQSO, and AGNs with reverberation-mapped BH masses from Peterson et al. Using 11 AGNs with reliable detection of Brackett lines, we derive the Brackett-line-based BH mass estimators. We also find that the observed Brackett line ratios can be explained with the commonly adopted physical conditions of the broad line region. Moreover, we fit the hot and warm dust components of the dust torus by adding photometric data of SDSS, 2MASS, WISE, and ISO to the AKARI spectra, finding hot and warm dust temperatures of ∼1100 K and ∼220 K, respectively, rather than the commonly cited hot dust temperature of 1500 K.

Estimation of atmospheric columnar organic matter (OM) mass concentration from remote sensing measurements of aerosol spectral refractive indices

Science.gov (United States)

Zhang, Ying; Li, Zhengqiang; Sun, Yele; Lv, Yang; Xie, Yisong

2018-04-01

Aerosols have adverse effects on human health and air quality, changing Earth's energy balance and lead to climate change. The components of aerosol are important because of the different spectral characteristics. Based on the low hygroscopic and high scattering properties of organic matter (OM) in fine modal atmospheric aerosols, we develop an inversion algorithm using remote sensing to obtain aerosol components including black carbon (BC), organic matter (OM), ammonium nitrate-like (AN), dust-like (DU) components and aerosol water content (AW). In the algorithm, the microphysical characteristics (i.e. volume distribution and complex refractive index) of particulates are preliminarily separated to fine and coarse modes, and then aerosol components are retrieved using bimodal parameters. We execute the algorithm using remote sensing measurements of sun-sky radiometer at AERONET site (Beijing RADI) in a period from October of 2014 to January of 2015. The results show a reasonable distribution of aerosol components and a good fit for spectral feature calculations. The mean OM mass concentration in atmospheric column is account for 14.93% of the total and 56.34% of dry and fine-mode aerosol, being a fairly good correlation (R = 0.56) with the in situ observations near the surface layer.

Description of Transmutation Library for Fuel Cycle System Analyses

International Nuclear Information System (INIS)

Piet, Steven J.; Bays, Samuel E.; Hoffman, Edward A.

2010-01-01

This report documents the Transmutation Library that is used in Fuel Cycle System Analyses. This version replaces the 2008 version.(Piet2008) The Transmutation Library has the following objectives: (1) Assemble past and future transmutation cases for system analyses. (2) For each case, assemble descriptive information such as where the case was documented, the purpose of the calculation, the codes used, source of feed material, transmutation parameters, and the name of files that contain raw or source data. (3) Group chemical elements so that masses in separation and waste processes as calculated in dynamic simulations or spreadsheets reflect current thinking of those processes. For example, the CsSr waste form option actually includes all Group 1A and 2A elements. (4) Provide mass fractions at input (charge) and output (discharge) for each case. (5) Eliminate the need for either ''fission product other'' or ''actinide other'' while conserving mass. Assessments of waste and separation cannot use ''fission product other'' or ''actinide other'' as their chemical behavior is undefined. (6) Catalog other isotope-specific information in one place, e.g., heat and dose conversion factors for individual isotopes. (7) Describe the correlations for how input and output compositions change as a function of UOX burnup (for LWR UOX fuel) or fast reactor (FR) transuranic (TRU) conversion ratio (CR) for either FR-metal or FR-oxide. This document therefore includes the following sections: (1) Explanation of the data set information, i.e., the data that describes each case. In no case are all of the data presented in the Library included in previous documents. In assembling the Library, we return to raw data files to extract the case and isotopic data, into the specified format. (2) Explanation of which isotopes and elements are tracked. For example, the transition metals are tracked via the following: two Zr isotopes, Zr-other, Tc99, Tc-other, two Mo-Ru-Rh-Pd isotopes, Mo

An implicit spectral formula for generalized linear Schroedinger equations

International Nuclear Information System (INIS)

Schulze-Halberg, A.; Garcia-Ravelo, J.; Pena Gil, Jose Juan

2009-01-01

We generalize the semiclassical Bohr–Sommerfeld quantization rule to an exact, implicit spectral formula for linear, generalized Schroedinger equations admitting a discrete spectrum. Special cases include the position-dependent mass Schroedinger equation or the Schroedinger equation for weighted energy. Requiring knowledge of the potential and the solution associated with the lowest spectral value, our formula predicts the complete spectrum in its exact form. (author)

Welcome to the National Wetlands Research Center Library: Not Just Another Library-A Special Library

Science.gov (United States)

Broussard, Linda

2007-01-01

Libraries are grouped into four major types: public, school, academic, and special. The U.S. Geological Survey's (USGS) National Wetlands Research Center (NWRC) library is classified as a special library because it is sponsored by the Federal government, and the collections focus on a specific subject. The NWRC library is the only USGS library dedicated to wetland science. Library personnel offer expert research services to meet the informational needs of NWRC scientists, managers, and support personnel. The NWRC library participates in international cataloging and resource sharing, which allows libraries from throughout the world to borrow from its collections. This sharing facilitates the research of other governmental agencies, universities, and those interested in the study of wetlands.

Assessing Library Automation and Virtual Library Development in Four Academic Libraries in Oyo, Oyo State, Nigeria

Science.gov (United States)

Gbadamosi, Belau Olatunde

2011-01-01

The paper examines the level of library automation and virtual library development in four academic libraries. A validated questionnaire was used to capture the responses from academic librarians of the libraries under study. The paper discovers that none of the four academic libraries is fully automated. The libraries make use of librarians with…

Measurement of the lepton {tau} spectral functions and applications to quantum chromodynamic; Mesure des fonctions spectrales du lepton {tau} et applications a la chromodynamique quantique

Energy Technology Data Exchange (ETDEWEB)

Hoecker, A [Paris-11 Univ., 91 - Orsay (France). Lab. de l' Accelerateur Lineaire; [Universite de Paris Sud, 91 - Orsay (France)

1997-04-18

This thesis presents measurements of the {tau} vector (V) and axial-vector (A) hadronic spectral functions and phenomenological studies in the framework of quantum chromodynamics (QCD). Using the hypothesis of conserved vector currents (CVC), the dominant two- and four-pion vector spectral functions are compared to the corresponding cross sections from e{sup +}e{sup -} annihilation. A combined fit of the pion form factor from {tau} decays and e{sup +}e{sup -} data is performed using different parametrizations. The mass and the width of the {rho}{sup {+-}}(770) and the {rho}{sup 0}(770) are separately determined in order to extract possible isospin violating effects. The mass and width differences are measured to be M{sub {rho}{sup {+-}}{sub (770)} - M{sub {rho}{sup 0}}{sub (770)}=(0.0{+-}1.0) MeV/c{sup 2} and {gamma}{sub {rho}{sup {+-}}{sub (770)} - {gamma}{sub {rho}{sup 0}}{sub (770)}=(0.1 {+-} 1.9) MeV/c{sup 2}. Several QCD chiral sum rules involving the difference (V - A) of the spectral functions are compared to their measurements. The Borel-transformed Das-Mathur-Okubo sum rule is used to measure the pion polarizability to be {alpha}{sub E}=(2.68{+-}0.91) x 10{sup -4} fm{sup 3}. The {tau} vector and axial-vector hadronic widths and certain spectral moments are exploited to measure {alpha}{sub s} and non-perturbative contributions at the {tau} mass scale. The best, and experimentally and theoretically most robust, determination of {alpha}{sub s}(M{sub {tau}}) is obtained from the inclusive (V + A) fit that yields {alpha}{sub s}(M{sub {tau}})= 0.348{+-}0.017 giving {alpha}{sub s}(M{sub Z})=0.1211 {+-} 0.0021 after the evolution to the mass of the Z boson. The approach of the Operator Product Expansion (OPE) is tested experimentally by means of an evolution of the {tau} hadronic width to masses smaller that the {tau} mass. Using the difference (V - A) of the spectral functions allows one to directly measure the dominant non-perturbative OPE dimension to be D=6

Design of a modified endoscope illuminator for spectral imaging of colorectal tissues

Science.gov (United States)

Browning, Craig M.; Mayes, Samuel; Rich, Thomas C.; Leavesley, Silas J.

2017-02-01

The gold standard for locating colonic polyps is a white light endoscope in a colonoscopy, however, polyps smaller than 5 mm can be easily missed. Modified procedures such as narrow band imaging have shown only marginal increases in detection rates. Spectral imaging is a potential solution to improve the sensitivity and specificity of colonoscopies by providing the ability to distinguish molecular fluorescence differences in tissues. The goal of this work is to implement a spectral endoscopic light source to acquire spectral image data of colorectal tissues. A beta-version endoscope light source was developed, by retrofitting a white light endoscope light source (Olympus, CLK-4) with 16 narrow band LEDs. This redesigned, beta-prototype uses high-power LEDs with a minimum output of 500 mW to provide sufficient spectral output (0.5 mW) through the endoscope. A mounting apparatus was designed to provide sufficient heat dissipation. Here, we report recent results of our tests to characterize the intensity output through the light source and endoscope to determine the flat spectral output for imaging and intensity losses through the endoscope. We also report preliminary spectral imaging data from transverse pig colon that demonstrates the ability to result in working practical spectral data. Preliminary results of this revised prototype spectral endoscope system demonstrate that there is sufficient power to allow the imaging process to continue and potentially determine spectral differences in cancerous and normal tissue from imaging ex vivo pairs. Future work will focus on building a spectral library for the colorectal region and refining the user interface the system for in vivo use.

Spectral- and size-resolved mass absorption efficiency of mineral dust aerosols in the shortwave spectrum: a simulation chamber study

Science.gov (United States)

Caponi, Lorenzo; Formenti, Paola; Massabó, Dario; Di Biagio, Claudia; Cazaunau, Mathieu; Pangui, Edouard; Chevaillier, Servanne; Landrot, Gautier; Andreae, Meinrat O.; Kandler, Konrad; Piketh, Stuart; Saeed, Thuraya; Seibert, Dave; Williams, Earle; Balkanski, Yves; Prati, Paolo; Doussin, Jean-François

2017-06-01

This paper presents new laboratory measurements of the mass absorption efficiency (MAE) between 375 and 850 nm for 12 individual samples of mineral dust from different source areas worldwide and in two size classes: PM10. 6 (mass fraction of particles of aerodynamic diameter lower than 10.6 µm) and PM2. 5 (mass fraction of particles of aerodynamic diameter lower than 2.5 µm). The experiments were performed in the CESAM simulation chamber using mineral dust generated from natural parent soils and included optical and gravimetric analyses. The results show that the MAE values are lower for the PM10. 6 mass fraction (range 37-135 × 10-3 m2 g-1 at 375 nm) than for the PM2. 5 (range 95-711 × 10-3 m2 g-1 at 375 nm) and decrease with increasing wavelength as λ-AAE, where the Ångström absorption exponent (AAE) averages between 3.3 and 3.5, regardless of size. The size independence of AAE suggests that, for a given size distribution, the dust composition did not vary with size for this set of samples. Because of its high atmospheric concentration, light absorption by mineral dust can be competitive with black and brown carbon even during atmospheric transport over heavy polluted regions, when dust concentrations are significantly lower than at emission. The AAE values of mineral dust are higher than for black carbon (˜ 1) but in the same range as light-absorbing organic (brown) carbon. As a result, depending on the environment, there can be some ambiguity in apportioning the aerosol absorption optical depth (AAOD) based on spectral dependence, which is relevant to the development of remote sensing of light-absorbing aerosols and their assimilation in climate models. We suggest that the sample-to-sample variability in our dataset of MAE values is related to regional differences in the mineralogical composition of the parent soils. Particularly in the PM2. 5 fraction, we found a strong linear correlation between the dust light-absorption properties and elemental

MARKETING LIBRARY SERVICES IN ACADEMIC LIBRARIES: A ...

African Journals Online (AJOL)

MARKETING LIBRARY SERVICES IN ACADEMIC LIBRARIES: A TOOL FOR SURVIVAL IN THE ... This article discusses the concept of marketing library and information services as an ... EMAIL FREE FULL TEXT EMAIL FREE FULL TEXT

Libraries and Accessibility: Istanbul Public Libraries Case

Directory of Open Access Journals (Sweden)

Gül Yücel

2016-12-01

Full Text Available In the study; the assessment of accessibility has been conducted in Istanbul public libraries within the scope of public area. Public libraries commonly serve with its user of more than 20 million in total, spread to the general of Turkey, having more than one thousand branches in the centrums and having more than one million registered members. The building principles and standards covering the subjects such as the selection of place, historical and architectural specification of the region, distance to the centre of population and design in a way that the disabled people could benefit from the library services fully have been determined with regulations in the construction of new libraries. There are works for the existent libraries such as access for the disabled, fire safety precautions etc. within the scope of the related standards. Easy access by everyone is prioritized in the public libraries having a significant role in life-long learning. The purpose of the study is to develop solution suggestions for the accessibility problems in the public libraries. The study based on the eye inspection and assessments carried out within the scope of accessibility in the public libraries subsidiary to Istanbul Culture and Tourism Provincial Directorate Library and Publications Department within the provincial borders of Istanbul. The arrangements such as reading halls, study areas, book shelves etc. have been examined within the frame of accessible building standards. Building entrances, ramps and staircases, horizontal and vertical circulation of building etc. have been taken into consideration within the scope of accessible building standards. The subjects such as the reading and studying areas and book shelf arrangements for the library have been assessed within the scope of specific buildings. There are a total of 34 public libraries subsidiary to Istanbul Culture and Tourism Provincial Directorate on condition that 20 ea. of them are in the

Reducing the spectral index in supernatural inflation

International Nuclear Information System (INIS)

Lin, C.-M.; Cheung, Kingman

2009-01-01

Supernatural inflation is an attractive model based on just a flat direction with soft supersymmetry breaking mass terms in the framework of supersymmetry. The beauty of the model is that it needs no fine-tuning. However, the prediction of the spectral index is n s > or approx. 1, in contrast to experimental data. In this paper, we discuss supernatural inflation with the spectral index reduced to n s =0.96 without any fine-tuning, considering the general feature that a flat direction is lifted by a nonrenormalizable term with an A-term.

Reducing the spectral index in supernatural inflation

Science.gov (United States)

Lin, Chia-Min; Cheung, Kingman

2009-04-01

Supernatural inflation is an attractive model based on just a flat direction with soft supersymmetry breaking mass terms in the framework of supersymmetry. The beauty of the model is that it needs no fine-tuning. However, the prediction of the spectral index is ns≳1, in contrast to experimental data. In this paper, we discuss supernatural inflation with the spectral index reduced to ns=0.96 without any fine-tuning, considering the general feature that a flat direction is lifted by a nonrenormalizable term with an A-term.

Fitting Analysis using Differential evolution Optimization (FADO):. Spectral population synthesis through genetic optimization under self-consistency boundary conditions

Science.gov (United States)

Gomes, J. M.; Papaderos, P.

2017-07-01

with various other currently unique elements in its mathematical concept and numerical realization (e.g., mid-analysis optimization of the spectral library using artificial intelligence, test for convergence through a procedure inspired by Markov chain Monte Carlo techniques, quasi-parallelization embedded within a modular architecture) results in key improvements with respect to computational efficiency and uniqueness of the best-fitting SFHs. Furthermore, fado incorporates within a single code the entire chain of pre-processing, modeling, post-processing, storage and graphical representation of the relevant output from pss, including emission-line measurements and estimates of uncertainties for all primary and secondary products from spectral synthesis (e.g., mass contributions of individual stellar populations, mass- and luminosity-weighted stellar ages and metallicities). This integrated concept greatly simplifies and accelerates a lengthy sequence of individual time-consuming steps that are generally involved in pss modeling, further enhancing the overall efficiency of the code and inviting to its automated application to large spectroscopic data sets. The distribution package of the FADO v.1 tool contains the binary and its auxiliary files. FADO v.1 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/603/A63

Public libraries in the library regions in the year 2009

Directory of Open Access Journals (Sweden)

Milena Bon

2011-01-01

Full Text Available Purpose: Regional public libraries were initiated in 2003 to connect professional activities of libraries within regional networks and to ensure coordinated library development in a region in cooperation with the Library System Development Centre at the National and University Library performing a coordinating role. The article analyses the performance of public libraries and their integration in regional library networks in order to find out the level of development of conditions of performance of public libraries.Methodology/approach: Statistical data for the year 2009 were the basis for the overview of library activities of ten library regions with regard to applicable legislation and library standards. The level of regional library activities is compared to the socio-economic situation of statistical regions thus representing a new approach to the presentation of Slovenian’s public libraries’ development.Results: Absolute values indicate better development of nine libraries in the central Slovenia region while relative values offer a totally different picture. Four libraries in the region of Nova Gorica prove the highest level of development.Research limitation: Research is limited to the year 2009 and basic statistical analysis.Originality/practical implications: Findings of the analysis are useful for public libraries to plan their development strategy within a region and for financial bodies to provide for adequate financing for library activities in a specific region. The basic condition for successful public library performance is the even and harmonized development of conditions of performance as recommended by library standards.

The high throughput virtual slit enables compact, inexpensive Raman spectral imagers

Science.gov (United States)

Gooding, Edward; Deutsch, Erik R.; Huehnerhoff, Joseph; Hajian, Arsen R.

2018-02-01

Raman spectral imaging is increasingly becoming the tool of choice for field-based applications such as threat, narcotics and hazmat detection; air, soil and water quality monitoring; and material ID. Conventional fiber-coupled point source Raman spectrometers effectively interrogate a small sample area and identify bulk samples via spectral library matching. However, these devices are very slow at mapping over macroscopic areas. In addition, the spatial averaging performed by instruments that collect binned spectra, particularly when used in combination with orbital raster scanning, tends to dilute the spectra of trace particles in a mixture. Our design, employing free space line illumination combined with area imaging, reveals both the spectral and spatial content of heterogeneous mixtures. This approach is well suited to applications such as detecting explosives and narcotics trace particle detection in fingerprints. The patented High Throughput Virtual Slit1 is an innovative optical design that enables compact, inexpensive handheld Raman spectral imagers. HTVS-based instruments achieve significantly higher spectral resolution than can be obtained with conventional designs of the same size. Alternatively, they can be used to build instruments with comparable resolution to large spectrometers, but substantially smaller size, weight and unit cost, all while maintaining high sensitivity. When used in combination with laser line imaging, this design eliminates sample photobleaching and unwanted photochemistry while greatly enhancing mapping speed, all with high selectivity and sensitivity. We will present spectral image data and discuss applications that are made possible by low cost HTVS-enabled instruments.

Orthogonal feature selection method. [For preprocessing of man spectral data

Energy Technology Data Exchange (ETDEWEB)

Kowalski, B R [Univ. of Washington, Seattle; Bender, C F

1976-01-01

A new method of preprocessing spectral data for extraction of molecular structural information is desired. This SELECT method generates orthogonal features that are important for classification purposes and that also retain their identity to the original measurements. A brief introduction to chemical pattern recognition is presented. A brief description of the method and an application to mass spectral data analysis follow. (BLM)

Evaluation of matrix-assisted laser desorption ionization-time of flight mass spectrometry for identification of clinically important yeast species.

Science.gov (United States)

Stevenson, Lindsay G; Drake, Steven K; Shea, Yvonne R; Zelazny, Adrian M; Murray, Patrick R

2010-10-01

We evaluated the use of matrix-assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF MS) for the rapid identification of yeast species. Using Bruker Daltonics MALDI BioTyper software, we created a spectral database library with m/z ratios of 2,000 to 20,000 Da for 109 type and reference strains of yeast (44 species in 8 genera). The database was tested for accuracy by use of 194 clinical isolates (23 species in 6 genera). A total of 192 (99.0%) of the clinical isolates were identified accurately by MALDI-TOF MS. The MALDI-TOF MS-based method was found to be reproducible and accurate, with low consumable costs and minimal preparation time.

MARS-ORNL, Processing Program Collection for AMPX, CCCC, ANISN, DOT, MORSE Format Library. LINX, MINX Library Utility, Data Merge. BINX, MINX Utility and SPHINX Utility, BCD to BIN Library Conversion. CINX, MINX Utility and SPHINX Utility, Library Data Collapsing

International Nuclear Information System (INIS)

2001-01-01

. The resonance self-shielding calculation generally employs the Nordheim Integral Treatment, though the narrow resonance and an infinite mass treatment are available as alternate methods. PAL: Allows to punch the one-dimensional cross section arrays on an AMPX interface either in fixed form or in the free-form FIDO format. RADE: Performs consistency checks on the neutron, gamma, or coupled neutron-gamma multigroup cross section libraries produced by the various AMPX modules. XSDRNPM: (1) Provides a one-dimensional transport calculation capability for calculating reaction rates, eigenvalues and critical dimensions; (2) allows spatial cross section weighting to be performed. The collapsed cross sections are written as an AMPX weighted library to be used for transport calculations or are written in ANISN, DOT, or MORSE formats. B. CCCC Codes: LASIP-3 (see abstract NESC0691): Converts CCCC interface files from free-field BCD format to well-defined binary files. LINX: Merges ISOTXS or BRKOXS multigroup cross section libraries in the CCCC format for use by the MINX processing code (see abstract PSR-0105). BINX: Converts any ISOTXS, BRKOXS, or DCAYXS libraries from binary to BCD mode or back. CINX: Collapses multigroup cross section libraries in CCCC format (ISOTXS, BLKOXS, DLAYXS) to a subset of the original group structure to be used with the MINX (PSR-0105)/SPHINX (PSR-0129) cross section processing system. SPHINX (see abstract PSR-0129): Generates space and energy collapsed neutron cross sections for a given reactor size and composition, by interpolation on Bondarenko-type cross sections. I2D: Converts neutron cross section data written in CCCC file format (ISOTXS) to DTF matrix tables. GIP: Reads nuclide-organized cross section libraries prepared for ANISN or DOT and prepares a group-organized library

Libraries Today, Libraries Tomorrow: Contemporary Library Practices and the Role of Library Space in the L

Directory of Open Access Journals (Sweden)

Ana Vogrinčič Čepič

2013-09-01

Full Text Available ABSTRACTPurpose: The article uses sociological concepts in order to rethink the changes in library practices. Contemporary trends are discussed with regard to the changing nature of working habits, referring mostly to the new technology, and the (emergence of the third space phenomenon. The author does not regard libraries only as concrete public service institutions, but rather as complex cultural forms, taking in consideration wider social context with a stress on users’ practices in relation to space.Methodology/approach: The article is based on the (self- observation of the public library use, and on the (discourse analysis of internal library documents (i.e. annual reports and plans and secondary sociological literature. As such, the cultural form approach represents a classic method of sociology of culture.Results: The study of relevant material in combination with direct personal experiences reveals socio-structural causes for the change of users’ needs and habits, and points at the difficulty of spatial redefinition of libraries as well as at the power of the discourse.Research limitations: The article is limited to an observation of users’ practices in some of the public libraries in Ljubljana and examines only a small number of annual reports – the discoveries are then further debated from the sociological perspective.Originality/practical implications: The article offers sociological insight in the current issues of the library science and tries to suggest a wider explanation that could answer some of the challenges of the contemporary librarianship.

National Libraries Section. General Research Libraries Division. Papers.

Science.gov (United States)

International Federation of Library Associations, The Hague (Netherlands).

Papers on national library services and activities, which were presented at the 1983 International Federation of Library Associations (IFLA) conference, include: (1) "The National Library of China in its Gradual Application of Modern Technology," a discussion by Zhu Nan and Zhu Yan (China) of microform usage and library automation; (2)…

THE LOWEST-MASS MEMBER OF THE β PICTORIS MOVING GROUP

International Nuclear Information System (INIS)

Rice, Emily L.; Faherty, Jacqueline K.; Cruz, Kelle L.

2010-01-01

We present spectral and kinematic evidence that 2MASS J06085283-2753583 (M8.5γ) is a member of the β Pictoris Moving Group (BPMG, age ∼12 Myr), making it the latest-type known member of this young, nearby association. We confirm low-gravity spectral morphology at both medium and high resolutions in the near-infrared. We present new radial velocity and proper motion measurements, and use these to calculate galactic location and space motion consistent with other high-probability members of the BPMG. The predicted mass range consistent with the object's effective temperature, surface gravity, spectral type, and age is 15-35 M Jup , placing 2MASS 0608-27 well within the brown dwarf mass regime. 2MASS J06085283-2753583 is thus confidently added to the short list of very low mass, intermediate age benchmark objects that inform ongoing searches for the lowest-mass members of nearby young associations.

Noncommutativity from spectral flow

Energy Technology Data Exchange (ETDEWEB)

Heinzl, Thomas; Ilderton, Anton [School of Mathematics and Statistics, University of Plymouth, Drake Circus, Plymouth PL4 8AA (United Kingdom)

2007-07-27

We investigate the transition from second- to first-order systems. Quantum mechanically, this transforms configuration space into phase space and hence introduces noncommutativity in the former. This transition may be described in terms of spectral flow. Gaps in the energy or mass spectrum may become large which effectively truncates the available state space. Using both operator and path integral languages we explicitly discuss examples in quantum mechanics (light-front) quantum field theory and string theory.

2MASS J11151597+1937266: A Young, Dusty, Isolated, Planetary-mass Object with a Potential Wide Stellar Companion

Science.gov (United States)

Theissen, Christopher A.; Burgasser, Adam J.; Bardalez Gagliuffi, Daniella C.; Hardegree-Ullman, Kevin K.; Gagné, Jonathan; Schmidt, Sarah J.; West, Andrew A.

2018-01-01

We present 2MASS J11151597+1937266, a recently identified low-surface-gravity L dwarf, classified as an L2γ based on Sloan Digital Sky Survey optical spectroscopy. We confirm this spectral type with near-infrared spectroscopy, which provides further evidence that 2MASS J11151597+1937266 is a low-surface-gravity L dwarf. This object also shows significant excess mid-infrared flux, indicative of circumstellar material; and its strong Hα emission (EWHα = 560 ± 82 Å) is an indicator of enhanced magnetic activity or weak accretion. Comparison of its spectral energy distribution to model photospheres yields an effective temperature of {1724}-38+184 {{K}}. We also provide a revised distance estimate of 37 ± 6 pc using a spectral type–luminosity relationship for low-surface-gravity objects. The three-dimensional galactic velocities and positions of 2MASS J11151597+1937266 do not match any known young association or moving group. Assuming a probable age in the range of 5–45 Myr, the model-dependent estimated mass of this object is between 7 and 21 M Jup, making it a potentially isolated planetary-mass object. We also identify a candidate co-moving, young stellar companion, 2MASS J11131089+2110086.

LIBRARY SKILL INSTRUCTION IN NIGERIAN ACADEMIC LIBRARIES

African Journals Online (AJOL)

DJFLEX

www.globaljournalseries.com; Info@globaljournalseries.com. LIBRARY SKILL INSTRUCTION IN NIGERIAN ACADEMIC. LIBRARIES. P. C. AZIAGBA AND E. H. UZOEZI. (Received 10, September 2009; Revision Accepted 8, February 2010). ABSTRACT. This survey was undertaken to portray the level of library involvement ...

E-library Implementation in Library University of Riau

Science.gov (United States)

Yuhelmi; Rismayeti

2017-12-01

This research aims to see how the e-book implementation in Library University of Riau and the obstacle in its implementation. In the Globalization era, digital libraries should be developed or else it will decrease the readers’ interest, with the recent advanced technology, digital libraries are one of the learning tools that can be used to finding an information through the internet access, hence digital libraries or commonly known as E-Library is really helping the students and academic community in finding information. The methods that used in this research is Observation, Interview, and Literature Study. The respondents in this research are the staff who involved in the process of digitization in Library University of Riau. The result of this research shows that implementation of e-library in Library University of Riau is already filled the user needs for now, although there is obstacle faced just like technical problems for example the internet connection speed and the technical problem to convert the format from Microsoft Word .doc to Adobe.pdf

Measurement of the lepton τ spectral functions and applications to quantum chromodynamic

International Nuclear Information System (INIS)

Hoecker, A.

1997-01-01

This thesis presents measurements of the τ vector (V) and axial-vector (A) hadronic spectral functions and phenomenological studies in the framework of quantum chromodynamics (QCD). Using the hypothesis of conserved vector currents (CVC), the dominant two- and four-pion vector spectral functions are compared to the corresponding cross sections from e + e - annihilation. A combined fit of the pion form factor from τ decays and e + e - data is performed using different parametrizations. The mass and the width of the ρ ± (770) and the ρ 0 (770) are separately determined in order to extract possible isospin violating effects. The mass and width differences are measured to be M ρ ± (770) - M ρ 0 (770) =(0.0±1.0) MeV/c 2 and Γ ρ ± (770) - Γ ρ 0 (770) =(0.1 ± 1.9) MeV/c 2 . Several QCD chiral sum rules involving the difference (V - A) of the spectral functions are compared to their measurements. The Borel-transformed Das-Mathur-Okubo sum rule is used to measure the pion polarizability to be α E =(2.68±0.91) x 10 -4 fm 3 . The τ vector and axial-vector hadronic widths and certain spectral moments are exploited to measure α s and non-perturbative contributions at the τ mass scale. The best, and experimentally and theoretically most robust, determination of α s (M τ ) is obtained from the inclusive (V + A) fit that yields α s (M τ )= 0.348±0.017 giving α s (M Z )=0.1211 ± 0.0021 after the evolution to the mass of the Z boson. The approach of the Operator Product Expansion (OPE) is tested experimentally by means of an evolution of the τ hadronic width to masses smaller that the τ mass. Using the difference (V - A) of the spectral functions allows one to directly measure the dominant non-perturbative OPE dimension to be D=6.9±0.5. The vector spectral functions are used to improve the precision of the experimental determination of the hadronic contribution to the anomalous magnetic moment of the muon a μ =(g - 2)/2 and to the running of the QED

Marketing library and information services in academic libraries in ...

African Journals Online (AJOL)

Marketing library and information services in academic libraries in Niger State, Nigeria. ... This study was designed to investigate the marketing of library services in academic libraries in Niger state, ... EMAIL FULL TEXT EMAIL FULL TEXT

Phage display peptide libraries: deviations from randomness and correctives

Science.gov (United States)

Ryvkin, Arie; Ashkenazy, Haim; Weiss-Ottolenghi, Yael; Piller, Chen; Pupko, Tal; Gershoni, Jonathan M

2018-01-01

Abstract Peptide-expressing phage display libraries are widely used for the interrogation of antibodies. Affinity selected peptides are then analyzed to discover epitope mimetics, or are subjected to computational algorithms for epitope prediction. A critical assumption for these applications is the random representation of amino acids in the initial naïve peptide library. In a previous study, we implemented next generation sequencing to evaluate a naïve library and discovered severe deviations from randomness in UAG codon over-representation as well as in high G phosphoramidite abundance causing amino acid distribution biases. In this study, we demonstrate that the UAG over-representation can be attributed to the burden imposed on the phage upon the assembly of the recombinant Protein 8 subunits. This was corrected by constructing the libraries using supE44-containing bacteria which suppress the UAG driven abortive termination. We also demonstrate that the overabundance of G stems from variant synthesis-efficiency and can be corrected using compensating oligonucleotide-mixtures calibrated by mass spectroscopy. Construction of libraries implementing these correctives results in markedly improved libraries that display random distribution of amino acids, thus ensuring that enriched peptides obtained in biopanning represent a genuine selection event, a fundamental assumption for phage display applications. PMID:29420788

MALDI Mass Spectral Imaging of Bile Acids Observed as Deprotonated Molecules and Proton-Bound Dimers from Mouse Liver Sections

Science.gov (United States)

Rzagalinski, Ignacy; Hainz, Nadine; Meier, Carola; Tschernig, Thomas; Volmer, Dietrich A.

2018-02-01

Bile acids (BAs) play two vital roles in living organisms, as they are involved in (1) the secretion of cholesterol from liver, and (2) the lipid digestion/absorption in the intestine. Abnormal bile acid synthesis or secretion can lead to severe liver disorders. Even though there is extensive literature on the mass spectrometric determination of BAs in biofluids and tissue homogenates, there are no reports on the spatial distribution in the biliary network of the liver. Here, we demonstrate the application of high mass resolution/mass accuracy matrix-assisted laser desorption/ionization (MALDI)-Fourier-transform ion cyclotron resonance (FTICR) to MS imaging (MSI) of BAs at high spatial resolutions (pixel size, 25 μm). The results show chemical heterogeneity of the mouse liver sections with a number of branching biliary and blood ducts. In addition to ion signals from deprotonation of the BA molecules, MALDI-MSI generated several further intense signals at larger m/z for the BAs. These signals were spatially co-localized with the deprotonated molecules and easily misinterpreted as additional products of BA biotransformations. In-depth analysis of accurate mass shifts and additional electrospray ionization and MALDI-FTICR experiments, however, confirmed them as proton-bound dimers. Interestingly, dimers of bile acids, but also unusual mixed dimers of different taurine-conjugated bile acids and free taurine, were identified. Since formation of these complexes will negatively influence signal intensities of the desired [M - H]- ions and significantly complicate mass spectral interpretations, two simple broadband techniques were proposed for non-selective dissociation of dimers that lead to increased signals for the deprotonated BAs. [Figure not available: see fulltext.

Personal Virtual Libraries

Science.gov (United States)

Pappas, Marjorie L.

2004-01-01

Virtual libraries are becoming more and more common. Most states have a virtual library. A growing number of public libraries have a virtual presence on the Web. Virtual libraries are a growing addition to school library media collections. The next logical step would be personal virtual libraries. A personal virtual library (PVL) is a collection…

America's Star Libraries

Science.gov (United States)

Lyons, Ray; Lance, Keith Curry

2009-01-01

"Library Journal"'s new national rating of public libraries, the "LJ" Index of Public Library Service, identifies 256 "star" libraries. It rates 7,115 public libraries. The top libraries in each group get five, four, or three Michelin guide-like stars. All included libraries, stars or not, can use their scores to learn from their peers and improve…

Building biomarker libraries with novel chemical sensors: correlating differential mobility spectrometer signal outputs with mass spectrometry data

International Nuclear Information System (INIS)

Schivo, Michael; Kenyon, Nicholas J; Aksenov, Alexander A; Bardaweel, Hamzeh; Zhao Weixiang; Davis, Cristina E

2011-01-01

Gas chromatography/mass spectrometry (GC/MS) is a widely used analytic tool for qualitative and quantitative analysis of volatile and semi-volatile compounds. However, GC/MS use is limited by its large size, lack of portability, high cost and inherent complexity. Smaller instruments capable of high-throughput analysis of volatile compounds have the potential of combining MS-like sensitivity with portability. The micromachined differential mobility spectrometer (DMS) is a miniature sensor capable of registering volatile compounds in sub-parts-per-million (ppm) concentrations. It is small, portable, and can be coupled with multiple other compound separation methods. Here we describe paired volatile sample analyses using both GC/MS and GC/DMS which show that the DMS is capable of registering known compounds as verified by MS. Furthermore, we show that MS can be used to help build a library for our unique DMS sensor outputs and detect compounds in chemically complex backgrounds.

Building biomarker libraries with novel chemical sensors: correlating differential mobility spectrometer signal outputs with mass spectrometry data

Energy Technology Data Exchange (ETDEWEB)

Schivo, Michael; Kenyon, Nicholas J [Division of Pulmonary and Critical Care Medicine, Genome and Biomedical Sciences Facility, University of California, Davis, CA 95616 (United States); Aksenov, Alexander A; Bardaweel, Hamzeh; Zhao Weixiang; Davis, Cristina E, E-mail: cedavis@ucdavis.edu [Department of Mechanical and Aerospace Engineering, One Shields Avenue, University of California, Davis, CA 95616 (United States)

2011-10-29

Gas chromatography/mass spectrometry (GC/MS) is a widely used analytic tool for qualitative and quantitative analysis of volatile and semi-volatile compounds. However, GC/MS use is limited by its large size, lack of portability, high cost and inherent complexity. Smaller instruments capable of high-throughput analysis of volatile compounds have the potential of combining MS-like sensitivity with portability. The micromachined differential mobility spectrometer (DMS) is a miniature sensor capable of registering volatile compounds in sub-parts-per-million (ppm) concentrations. It is small, portable, and can be coupled with multiple other compound separation methods. Here we describe paired volatile sample analyses using both GC/MS and GC/DMS which show that the DMS is capable of registering known compounds as verified by MS. Furthermore, we show that MS can be used to help build a library for our unique DMS sensor outputs and detect compounds in chemically complex backgrounds.

Krein Spectral Triples and the Fermionic Action

International Nuclear Information System (INIS)

Dungen, Koen van den

2016-01-01

Motivated by the space of spinors on a Lorentzian manifold, we define Krein spectral triples, which generalise spectral triples from Hilbert spaces to Krein spaces. This Krein space approach allows for an improved formulation of the fermionic action for almost-commutative manifolds. We show by explicit calculation that this action functional recovers the correct Lagrangians for the cases of electrodynamics, the electro-weak theory, and the Standard Model. The description of these examples does not require a real structure, unless one includes Majorana masses, in which case the internal spaces also exhibit a Krein space structure.

Spectral gamuts and spectral gamut mapping

Science.gov (United States)

Rosen, Mitchell R.; Derhak, Maxim W.

2006-01-01

All imaging devices have two gamuts: the stimulus gamut and the response gamut. The response gamut of a print engine is typically described in CIE colorimetry units, a system derived to quantify human color response. More fundamental than colorimetric gamuts are spectral gamuts, based on radiance, reflectance or transmittance units. Spectral gamuts depend on the physics of light or on how materials interact with light and do not involve the human's photoreceptor integration or brain processing. Methods for visualizing a spectral gamut raise challenges as do considerations of how to utilize such a data-set for producing superior color reproductions. Recent work has described a transformation of spectra reduced to 6-dimensions called LabPQR. LabPQR was designed as a hybrid space with three explicit colorimetric axes and three additional spectral reconstruction axes. In this paper spectral gamuts are discussed making use of LabPQR. Also, spectral gamut mapping is considered in light of the colorimetric-spectral duality of the LabPQR space.

Spectral- and size-resolved mass absorption efficiency of mineral dust aerosols in the shortwave spectrum: a simulation chamber study

Directory of Open Access Journals (Sweden)

L. Caponi

2017-06-01

Full Text Available This paper presents new laboratory measurements of the mass absorption efficiency (MAE between 375 and 850 nm for 12 individual samples of mineral dust from different source areas worldwide and in two size classes: PM10. 6 (mass fraction of particles of aerodynamic diameter lower than 10.6 µm and PM2. 5 (mass fraction of particles of aerodynamic diameter lower than 2.5 µm. The experiments were performed in the CESAM simulation chamber using mineral dust generated from natural parent soils and included optical and gravimetric analyses. The results show that the MAE values are lower for the PM10. 6 mass fraction (range 37–135  ×  10−3 m2 g−1 at 375 nm than for the PM2. 5 (range 95–711  ×  10−3 m2 g−1 at 375 nm and decrease with increasing wavelength as λ−AAE, where the Ångström absorption exponent (AAE averages between 3.3 and 3.5, regardless of size. The size independence of AAE suggests that, for a given size distribution, the dust composition did not vary with size for this set of samples. Because of its high atmospheric concentration, light absorption by mineral dust can be competitive with black and brown carbon even during atmospheric transport over heavy polluted regions, when dust concentrations are significantly lower than at emission. The AAE values of mineral dust are higher than for black carbon (∼ 1 but in the same range as light-absorbing organic (brown carbon. As a result, depending on the environment, there can be some ambiguity in apportioning the aerosol absorption optical depth (AAOD based on spectral dependence, which is relevant to the development of remote sensing of light-absorbing aerosols and their assimilation in climate models. We suggest that the sample-to-sample variability in our dataset of MAE values is related to regional differences in the mineralogical composition of the parent soils. Particularly in the PM2. 5 fraction, we found a strong

Hadronic spectral functions in nuclear matter

International Nuclear Information System (INIS)

Post, M.; Leupold, S.; Mosel, U.

2004-01-01

We study the in-medium properties of mesons (π,η,ρ) and baryon resonances in cold nuclear matter within a coupled-channel analysis. The meson self energies are generated by particle-hole excitations. Thus multi-peak spectra are obtained for the mesonic spectral functions. In turn this leads to medium-modifications of the baryon resonances. Special care is taken to respect the analyticity of the spectral functions and to take into account effects from short-range correlations both for positive and negative parity states. Our model produces sensible results for pion and Δ dynamics in nuclear matter. We find a strong interplay of the ρ meson and the D 13 (1520), which moves spectral strength of the ρ spectrum to smaller invariant masses and leads to a broadening of the baryon resonance. The optical potential for the η meson resulting from our model is rather attractive whereas the in-medium properties modifications of the S 11 (1535) are found to be quite small

The experimental determination and evaluation of the spectral indices of the IPEN/MB-01 reactor for the IRPhE project

International Nuclear Information System (INIS)

Santos, Adimir dos; Fanaro, Leda C.C.B.; Jerez, Rogério

2013-01-01

Highlights: • A new experimental method for the spectral index measurements was developed. • The method eliminates the need of calculated correction factors for the case of 28 ρ. • The experimental results were approved for inclusion in the IRPhE handbook. • MCNP5 with ENDF/B-VII.0 described well the experimental data. - Abstract: New experimental results for the spectral indices of the IPEN/MB-01 reactor are presented in this work. The experimental approach considers a new technique for the 28 ρ case which does not require any sort of calculated correction factors. This aspect gave to the IPEN/MB-01 experiment an excellent quality and free of possible bias due to these calculated correction factors. The uncertainty analysis show, even considering the uncertainties of the geometric and material data of the facility, that the final uncertainties are small enough and well understood for a benchmark problem. The experiment was evaluated and included in the IRPhE handbook. The theory/experiment comparison reveals that there is considerable progress in the 238 U nuclear data for application in thermal reactors. The theory/experiment comparison employs the nuclear data libraries ENDF/B-VII.0, ENDF/B-VI.8, JEF3.1, and JENDL3.3 and reveals an excellent agreement for the spectral index 28 ρ * independently of the nuclear data library considered; aspect never found before in several other comparisons. The long term overprediction of the 238 U neutron epithermal capture appears to be eliminated with the improvements in the recent nuclear data libraries. The experimental performed at the IPEN/MB-01 reactor supports the changes in the 238 U nuclear data incorporated in ENDF/B-VII.0 as well as in the other libraries studied in this work. The theory/experiment comparison of 25 δ * and (C8/F) ept show that these spectral indices are in general slightly overpredicted, thus suggesting that the thermal fission cross section of 235 U might be a little bit underestimated

More library mashups exploring new ways to deliver library data

CERN Document Server

2015-01-01

Nicole Engard follows up her ground-breaking 2009 book Library Mashups with a fresh collection of mashup projects that virtually any library can emulate, customize, and build upon. In More Library Mashups, Engard and 24 creative library professionals describe how they are mashing up free and inexpensive digital tools and techniques to improve library services and meet everyday (and unexpected) challenges. Examples from libraries of all types are designed to help even non-programmers share and add value to digital content, update and enhance library websites and collections, mashup catalog data, connect to the library's automation system, and use emerging tools like Serendip-o-matic, Umlaut, and Libki to engage users, staff, and the community.

Microsynthesis and electron ionization mass spectral studies of O(S)-alkyl N,N-dimethyl alkylphosphono(thiolo)thionoamidates for Chemical Weapons Convention verification.

Science.gov (United States)

Saeidian, Hamdollah; Babri, Mehran; Abdoli, Morteza; Sarabadani, Mansour; Ashrafi, Davood; Naseri, Mohammad Taghi

2012-12-15

The availability of mass spectra and interpretation skills are essential for unambiguous identification of the Chemical Weapons Convention (CWC)-related chemicals. The O(S)-alkyl N,N-dimethyl alkylphosphono(thiolo)thionoamidates are included in the list of scheduled CWC-related compounds, but there are very few spectra from these compounds in the literature. This paper examines these spectra and their mass spectral fragmentation routes. The title chemicals were prepared through microsynthetic protocols and were analyzed using electron ionization mass spectrometry with gas chromatography as a MS-inlet system. Structures of fragments were confirmed using analysis of fragment ions of deuterated analogs, tandem mass spectrometry and density functional theory (DFT) calculations. Mass spectrometric studies revealed some interesting fragmentation pathways during the ionization process, such as alkene and amine elimination and McLafferty-type rearrangements. The most important fragmentation route of the chemicals is the thiono-thiolo rearrangement. DFT calculations are used to support MS results and to reveal relative preference formation of fragment ions. The retention indices (RIs) of all the studied compounds are also reported. Mass spectra of the synthesized compounds were investigated with the aim to enrich the Organization for the Prohibition of Chemical Weapons (OPCW) Central Analytical Database (OCAD) which may be used for detection and identification of CWC-related chemicals during on-site inspection and/or off-site analysis such as OPCW proficiency tests. Copyright © 2012 John Wiley & Sons, Ltd.

Library Science Education: A New Role for Academic Libraries

Science.gov (United States)

Wesley, Threasa L.

2018-01-01

Many individuals working in library and information organizations do not hold a master of library science (MLS) degree or other specialized library science credential. Recognizing that this professional gap could be addressed by diversified educational opportunities, the W. Frank Steely Library at Northern Kentucky University in Highland Heights…

Automated procedure for candidate compound selection in GCMS metabolomics based on prediction of Kovats retention index

NARCIS (Netherlands)

Mihaleva, V.V.; Verhoeven, H.A.; Vos, de C.H.; Hall, R.D.; Ham, van R.C.H.J.

2009-01-01

Motivation: Matching both the retention index (RI) and the mass spectrum of an unknown compound against a mass spectral reference library provides strong evidence for a correct identification of that compound. Data on retention indices are, however, available for only a small fraction of the

Research on the Mass Digitization of the Print Collection

Directory of Open Access Journals (Sweden)

Li Yongmei

2017-10-01

Full Text Available [Purpose/significance] The mass digitization of the print collection is an inevitable action for digital libraries. It has enlarged the depth and breadth of library services, and has enormously promoted the development and progress of academic exchange and academic research. [Method/process] This paper analyzed the global mass digitization of the print collection in terms of the origin, environmental factors, development status and current problems. It took HathiTrust as a case study. [Result/conclusion] Building the principles, solving the copyright problems with fair use and establishing a multi-stage and multi-sided framework for cooperation are important measures to promote the full realization of the mass digitization.

Development of Neutron Energy Spectral Signatures for Passive Monitoring of Spent Nuclear Fuels in Dry Cask Storage

Science.gov (United States)

Harkness, Ira; Zhu, Ting; Liang, Yinong; Rauch, Eric; Enqvist, Andreas; Jordan, Kelly A.

2018-01-01

Demand for spent nuclear fuel dry casks as an interim storage solution has increased globally and the IAEA has expressed a need for robust safeguards and verification technologies for ensuring the continuity of knowledge and the integrity of radioactive materials inside spent fuel casks. Existing research has been focusing on "fingerprinting" casks based on count rate statistics to represent radiation emission signatures. The current research aims to expand to include neutron energy spectral information as part of the fuel characteristics. First, spent fuel composition data are taken from the Next Generation Safeguards Initiative Spent Fuel Libraries, representative for Westinghouse 17ˣ17 PWR assemblies. The ORIGEN-S code then calculates the spontaneous fission and (α,n) emissions for individual fuel rods, followed by detailed MCNP simulations of neutrons transported through the fuel assemblies. A comprehensive database of neutron energy spectral profiles is to be constructed, with different enrichment, burn-up, and cooling time conditions. The end goal is to utilize the computational spent fuel library, predictive algorithm, and a pressurized 4He scintillator to verify the spent fuel assemblies inside a cask. This work identifies neutron spectral signatures that correlate with the cooling time of spent fuel. Both the total and relative contributions from spontaneous fission and (α,n) change noticeably with respect to cooling time, due to the relatively short half-life (18 years) of the major neutron source 244Cm. Identification of this and other neutron spectral signatures allows the characterization of spent nuclear fuels in dry cask storage.

General Maister's Library in the University of Maribor Library: Gaining and Preservation of the General Maister's Private Library in the University of Maribor Library

Directory of Open Access Journals (Sweden)

Vlasta Stavbar

2015-12-01

Full Text Available Rudolf Maister’s book legacy, which is kept in the University of Maribor Library, is the complete legacy of the Maister’s private book collection– the “maistirana”. The Maister’s Library is in the University of Maribor Library possession since 1998, when General Maister’s heirs and the Library signed the deed of donation. 5.945 units of library materials present a special collection, which is divided from the regular library holdings and is kept in a specially designed room. General Maister’s Library is an exception in the University of Maribor Library, since the general practice of libraries is not an exclusive maintenance of the provenience principle and of the original organisation. Because the Maister’s Library consists of materials that are important when researching the Slovene literary and cultural past, it only seems reasonably to strive for the authentic organisation and preserving the library as one integral whole.In order to understand the meaning and the importance of this special library collection for the Slovene cultural heritage, we have to highlight Rudolf Maister as a passionate book lover and as the owner of one of the greatest and the most beautiful private libraries in Slovenia. General Maister started collecting books and organising his collection back in 1912 in Ljubljana; the collection was rearranged thoroughly during the time he was in Maribor; it survived the moves during World War II and after it and it finally found its place in the General Maister’s Library under the patronage of the University of Maribor Library. The rearranging of the shelving system and sorting of the materials patterned after the authentic shelving system in the General’s Maribor apartment took place in 2013. Until then the books were not arranged according to the authentic shelving system. The estimated shelving system reconstruction has reconstructed Maister’s shelving system as authentically as possible, for it is not

Development of a large peptoid-DOTA combinatorial library.

Science.gov (United States)

Singh, Jaspal; Lopes, Daniel; Gomika Udugamasooriya, D

2016-09-01

Conventional one-bead one-compound (OBOC) library synthesis is typically used to identify molecules with therapeutic value. The design and synthesis of OBOC libraries that contain molecules with imaging or even potentially therapeutic and diagnostic capacities (e.g. theranostic agents) has been overlooked. The development of a therapeutically active molecule with a built-in imaging component for a certain target is a daunting task, and structure-based rational design might not be the best approach. We hypothesize to develop a combinatorial library with potentially therapeutic and imaging components fused together in each molecule. Such molecules in the library can be used to screen, identify, and validate as direct theranostic candidates against targets of interest. As the first step in achieving that aim, we developed an on-bead library of 153,600 Peptoid-DOTA compounds in which the peptoids are the target-recognizing and potentially therapeutic components and the DOTA is the imaging component. We attached the DOTA scaffold to TentaGel beads using one of the four arms of DOTA, and we built a diversified 6-mer peptoid library on the remaining three arms. We evaluated both the synthesis and the mass spectrometric sequencing capacities of the test compounds and of the final library. The compounds displayed unique ionization patterns including direct breakages of the DOTA scaffold into two units, allowing clear decoding of the sequences. Our approach provides a facile synthesis method for the complete on-bead development of large peptidomimetic-DOTA libraries for screening against biological targets for the identification of potential theranostic agents in the future. © 2016 The Authors. Biopolymers Published by Wiley Periodicals, Inc. Biopolymers (Pept Sci) 106: 673-684, 2016. © 2016 The Authors. Biopolymers Published by Wiley Periodicals, Inc.

Identification of triacylglycerol using automated annotation of high resolution multistage mass spectral trees.

Science.gov (United States)

Wang, Xiupin; Peng, Qingzhi; Li, Peiwu; Zhang, Qi; Ding, Xiaoxia; Zhang, Wen; Zhang, Liangxiao

2016-10-12

High complexity of identification for non-target triacylglycerols (TAGs) is a major challenge in lipidomics analysis. To identify non-target TAGs, a powerful tool named accurate MS(n) spectrometry generating so-called ion trees is used. In this paper, we presented a technique for efficient structural elucidation of TAGs on MS(n) spectral trees produced by LTQ Orbitrap MS(n), which was implemented as an open source software package, or TIT. The TIT software was used to support automatic annotation of non-target TAGs on MS(n) ion trees from a self-built fragment ion database. This database includes 19108 simulate TAG molecules from a random combination of fatty acids and corresponding 500582 self-built multistage fragment ions (MS ≤ 3). Our software can identify TAGs using a "stage-by-stage elimination" strategy. By utilizing the MS(1) accurate mass and referenced RKMD, the TIT software can discriminate unique elemental composition candidates. The regiospecific isomers of fatty acyl chains will be distinguished using MS(2) and MS(3) fragment spectra. We applied the algorithm to the selection of 45 TAG standards and demonstrated that the molecular ions could be 100% correctly assigned. Therefore, the TIT software could be applied to TAG identification in complex biological samples such as mouse plasma extracts. Copyright © 2016 Elsevier B.V. All rights reserved.

Library usage patterns in the electronic information environment. Electronic journals, Use studies, Libraries, Medical libraries

Directory of Open Access Journals (Sweden)

B. Franklin

2004-01-01

Full Text Available This paper examines the methodology and results from Web-based surveys of more than 15,000 networked electronic services users in the United States between July 1998 and June 2003 at four academic health sciences libraries and two large main campus libraries serving a variety of disciplines. A statistically valid methodology for administering simultaneous Web-based and print-based surveys using the random moments sampling technique is discussed and implemented. Results from the Web-based surveys showed that at the four academic health sciences libraries, there were approximately four remote networked electronic services users for each in-house user. This ratio was even higher for faculty, staff, and research fellows at the academic health sciences libraries, where more than five remote users for each in-house user were recorded. At the two main libraries, there were approximately 1.3 remote users for each in-house user of electronic information. Sponsored research (grant funded research accounted for approximately 32% of the networked electronic services activity at the health sciences libraries and 16% at the main campus libraries. Sponsored researchers at the health sciences libraries appeared to use networked electronic services most intensively from on-campus, but not from in the library. The purpose of use for networked electronic resources by patrons within the library is different from the purpose of use of those resources by patrons using the resources remotely. The implications of these results on how librarians reach decisions about networked electronic resources and services are discussed.

Library search with regular reflectance IR spectra

International Nuclear Information System (INIS)

Staat, H.; Korte, E.H.; Lampen, P.

1989-01-01

Characterisation in situ for coatings and other surface layers is generally favourable, but a prerequisite for precious items such as art objects. In infrared spectroscopy only reflection techniques are applicable here. However for attenuated total reflection (ATR) it is difficult to obtain the necessary optical contact of the crystal with the sample, when the latter is not perfectly plane or flexible. The measurement of diffuse reflectance demands a scattering sample and usually the reflectance is very poor. Therefore in most cases one is left with regular reflectance. Such spectra consist of dispersion-like feature instead of bands impeding their interpretation in the way the analyst is used to. Furthermore for computer search in common spectral libraries compiled from transmittance or absorbance spectra a transformation of the reflectance spectra is needed. The correct conversion is based on the Kramers-Kronig transformation. This somewhat time - consuming procedure can be speeded up by using appropriate approximations. A coarser conversion may be obtained from the first derivative of the reflectance spectrum which resembles the second derivative of a transmittance spectrum. The resulting distorted spectra can still be used successfully for the search in peak table libraries. Experiences with both transformations are presented. (author)

Library Subject Guides: A Case Study of Evidence-Informed Library Development

Science.gov (United States)

Wakeham, Maurice; Roberts, Angharad; Shelley, Jane; Wells, Paul

2012-01-01

This paper describes the process whereby a university library investigated the value of its subject guides to its users. A literature review and surveys of library staff, library users and other libraries were carried out. Existing library subject guides and those of other higher education libraries were evaluated. The project team reported…

Library subject guides: A case study of evidence-informed library development

OpenAIRE

Wakeham, Maurice; Roberts, Angharad; Shelley, Jane; Wells, Paul

2012-01-01

This paper describes the process whereby a university library investigated the value of its subject guides to its users. A literature review and surveys of library staff, library users and other libraries were carried out. Existing library subject guides and those of other higher education libraries were evaluated. The project team reported regularly to the wider library team throughout the year long investigation and made recommendations. The project served to develop the professional skills...

The Application of Spectral Analysis of Surface Wave (SASW) Method as a New Rock Mass Classification Technique in Engineering Geology

International Nuclear Information System (INIS)

Abdul Rahim Samsuddin; Abdul Ghani Rafek; Umar Hamzah; Suharsono; Khairul Anuar Mohd Nayan

2008-01-01

Spectral analysis of surface waves (SASW) is a seismic method that uses the dispersive characteristics of Rayleigh waves propagating through layered material to evaluate S-wave velocity profile. The SASW is an in situ non intrusive method for geotechnical site characterization which is cost effective as compared to the conventional drilling method. In this study, a total of 20 stations from 13 sites were selected. A software (WINSASW 2.0) was used for the inversion process to produce S-wave velocity versus depth profiles. These profiles were then separately analyzed in relation to several engineering rock mass geological parameters such as stiffness, rock quality designation (RQD), anisotropy and the excavability properties. The analysis of the SASW data was based on the assumption that the rock mass is an isotropic homogeneous material with various intensity of discontinuity which influenced the velocity of surface wave propagation within the rock mass. Measurement of dynamic soil properties was carried out employing the shear wave velocities and the N values of the Standard Penetration Test (N SPT ) from borehole data. A new linear equation V s = 4.44 N SPT + 213.84 which relates S-wave and N SPT was deduced. An empirical equation is also proposed to calculate Rock Quality Designation (RQD) values based on S-wave velocity derived from SASW and that of ultrasonic tests. The result of this equation was found to be less than 10% in comparison to the RQD obtained from actual borehole data. An isotropic analysis of the rock mass was carried out using S-wave velocities derived from SASW measurements in four directions. The plots of S-wave - ultrasonic velocity ratio versus ultrasonic velocity were used to evaluate the excavability properties of rock mass. Five classes of rock mass excavability curves were finally proposed in relation to easy digging, easy ripping, hard ripping, hydraulic breaking and blasting. (author)

Assessing high affinity binding to HLA-DQ2.5 by a novel peptide library based approach

DEFF Research Database (Denmark)

Jüse, Ulrike; Arntzen, Magnus; Højrup, Peter

2011-01-01

Here we report on a novel peptide library based method for HLA class II binding motif identification. The approach is based on water soluble HLA class II molecules and soluble dedicated peptide libraries. A high number of different synthetic peptides are competing to interact with a limited amount...... library. The eluted sequences fit very well with the previously described HLA-DQ2.5 peptide binding motif. This novel method, limited by library complexity and sensitivity of mass spectrometry, allows the analysis of several thousand synthetic sequences concomitantly in a simple water soluble format....

The Role of Libraries in Curbing Teenage Pregnancy in Nigeria ...

African Journals Online (AJOL)

The Role of Libraries in Curbing Teenage Pregnancy in Nigeria. ... As a result of this most teenagers learn about sex education through their peers, mass media, etc. ... orientation to teenagers on teenage pregnancy and how it can be avoided.

A Library Matter of Genocide: The Library of Congress and the Historiography of the Native American Holocaust

OpenAIRE

Michael Q. Dudley

2017-01-01

For decades, Indigenous experiences of mass killings, atrocities, ethnic cleansing, and assimilation have been marginalized from genocide studies due to the ways in which knowledge is constructed in the field, specifically in terms of its focus on definitions and prototype-based conceptions. This article argues that these exclusions are not merely owed to discourses internal to genocide studies, but are affirmed by conventional library terminologies for the purposes of knowledge organization ...

The True Ultracool Binary Fraction Using Spectral Binaries

Science.gov (United States)

Bardalez Gagliuffi, Daniella; Burgasser, Adam J.; Schmidt, Sarah J.; Gagné, Jonathan; Faherty, Jacqueline K.; Cruz, Kelle; Gelino, Chris

2018-01-01

Brown dwarfs bridge the gap between stars and giant planets. While the essential mechanisms governing their formation are not well constrained, binary statistics are a direct outcome of the formation process, and thus provide a means to test formation theories. Observational constraints on the brown dwarf binary fraction place it at 10 ‑ 20%, dominated by imaging studies (85% of systems) with the most common separation at 4 AU. This coincides with the resolution limit of state-of-the-art imaging techniques, suggesting that the binary fraction is underestimated. We have developed a separation-independent method to identify and characterize tightly-separated (dwarfs as spectral binaries by identifying traces of methane in the spectra of late-M and early-L dwarfs. Imaging follow-up of 17 spectral binaries yielded 3 (18%) resolved systems, corroborating the observed binary fraction, but 5 (29%) known binaries were missed, reinforcing the hypothesis that the short-separation systems are undercounted. In order to find the true binary fraction of brown dwarfs, we have compiled a volume-limited, spectroscopic sample of M7-L5 dwarfs and searched for T dwarf companions. In the 25 pc volume, 4 candidates were found, three of which are already confirmed, leading to a spectral binary fraction of 0.95 ± 0.50%, albeit for a specific combination of spectral types. To extract the true binary fraction and determine the biases of the spectral binary method, we have produced a binary population simulation based on different assumptions of the mass function, age distribution, evolutionary models and mass ratio distribution. Applying the correction fraction resulting from this method to the observed spectral binary fraction yields a true binary fraction of 27 ± 4%, which is roughly within 1σ of the binary fraction obtained from high resolution imaging studies, radial velocity and astrometric monitoring. This method can be extended to identify giant planet companions to young brown

Spectral State Evolution of 4U 1820-30: the Stability of the Spectral Index of Comptonization Tail

Science.gov (United States)

Titarchuk, Lev G.; Seifina, Elena; Frontera, Filippo

2013-01-01

We analyze the X-ray spectra and their timing properties of the compact Xray binary 4U 1820-30. We establish spectral transitions in this source seen with BeppoSAX and the Rossi X-ray Timing Explorer (RXTE). During the RXTE observations (1996 - 2009), the source were approximately approximately 75% of its time in the soft state making the lower banana and upper banana transitions combined with long-term low-high state transitions. We reveal that all of the X-ray spectra of 4U 1820-30 are fit by a composition of a thermal (blackbody) component, a Comptonization component (COMPTB) and a Gaussian-line component. Thus using this spectral analysis we find that the photon power-law index Gamma of the Comptonization component is almost unchangeable (Gamma approximately 2) while the electron temperature kTe changes from 2.9 to 21 keV during these spectral events. We also establish that for these spectral events the normalization of COMPTB component (which is proportional to mass accretion rate ?M) increases by factor 8 when kTe decreases from 21 keV to 2.9 keV. Before this index stability effect was also found analyzing X-ray data for Z-source GX 340+0 and for atolls, 4U 1728-34, GX 3+1. Thus, we can suggest that this spectral stability property is a spectral signature of an accreting neutron star source. On the other hand in a black hole binary G monotonically increases with ?Mand ultimately its value saturates at large ?M.

The history and library statistics of JAEA library activities

Energy Technology Data Exchange (ETDEWEB)

Itabashi, Keizo [Japan Atomic Energy Agency, Intellectual Resources Dept., Tokai, Ibaraki (Japan)

2012-03-15

The history and library statistics of the Japan Atomic Energy Agency library activity were summarized. Former Japan Atomic Energy Research Institute and the former Japan Nuclear Cycle Development Institute merged in October, 2005, and Japan Atomic Energy Agency is established. Properly speaking, the library statistics of old two corporations should have been summarized, but statistics of the Japan Nuclear Cycle Development Institute is not yet obtained. Then, although it is stated as the Japan Atomic Energy Agency library, it limits to the description about the old Japan Atomic Energy Research Institute library before 2004. (author)

The history and library statistics of JAEA library activities

International Nuclear Information System (INIS)

Itabashi, Keizo

2012-03-01

The history and library statistics of the Japan Atomic Energy Agency library activity were summarized. Former Japan Atomic Energy Research Institute and the former Japan Nuclear Cycle Development Institute merged in October, 2005, and Japan Atomic Energy Agency is established. Properly speaking, the library statistics of old two corporations should have been summarized, but statistics of the Japan Nuclear Cycle Development Institute is not yet obtained. Then, although it is stated as the Japan Atomic Energy Agency library, it limits to the description about the old Japan Atomic Energy Research Institute library before 2004. (author)

Marketing library and information services: international perspectives (Gupta; Konntz; Massísimo; Savard)

OpenAIRE

Fernández Marcial, Viviana

2007-01-01

This article reviews different experiences in library marketing developed around the world. It focuses on the marketing mix, the central element of a plan of marketing in which four aspects are defined, the four "p": the product, price, place and promotion.

Spectral effects on some physical coefficients of x-Ray interaction with materials of low atomic number

International Nuclear Information System (INIS)

EL-Kazzaz, S.A.; Youssef, M.; EL-Hadad, S.; and EL-Nadi, L.M.

1988-01-01

X-ray spectra were measured before and after passing through some materials of medical importance applying X-ray diffraction. The mass absorption coefficients of these materials were determined at X-ray peak voltages 27, 30 and 42 kV-p making use the measured spectrum and also by using the direct beam absorption. It has been found that the mass absorption coefficients calculated from the X-ray spectral distribution analysis are in general lower than those obtained considering the direct beam method. From the study of the atomic number and energy dependence of the mass absorption coefficients it has been found that the dependence of the coefficients calculated from the spectral distribution is good agreement with the previously studied data for monoenergetic x-ray beam. Also the roentgen - to - Rad conversion factors were determined at the different used energies and materials. The value of the mass absorption coefficients calculated from the spectral distribution is recommended for use in dose calculation

Wikis in Libraries

Directory of Open Access Journals (Sweden)

Matthew Bejune

2007-09-01

Full Text Available Wikis have recently been adopted to support a variety of collaborative activities within libraries. This article and its companion wiki, LibraryWikis (http://librarywikis.pbwiki.com/, seek to document the phenomenon of wikis in libraries. This subject is considered within the framework of computer-supported cooperative work (CSCW. The author identified thirty-three library wikis and developed a classification schema with four categories: (1 collaboration among libraries (45.7 percent; (2 collaboration among library staff (31.4 percent; (3 collaboration among library staff and patrons (14.3 percent; and (4 collaboration among patrons (8.6 percent. Examples of library wikis are presented within the article, as is a discussion for why wikis are primarily utilized within categories I and II and not within categories III and IV. It is clear that wikis have great utility within libraries, and the author urges further application of wikis in libraries.

Current applications of high-resolution mass spectrometry for the analysis of new psychoactive substances: a critical review.

Science.gov (United States)

Pasin, Daniel; Cawley, Adam; Bidny, Sergei; Fu, Shanlin

2017-10-01

The proliferation of new psychoactive substances (NPS) in recent years has resulted in the development of numerous analytical methods for the detection and identification of known and unknown NPS derivatives. High-resolution mass spectrometry (HRMS) has been identified as the method of choice for broad screening of NPS in a wide range of analytical contexts because of its ability to measure accurate masses using data-independent acquisition (DIA) techniques. Additionally, it has shown promise for non-targeted screening strategies that have been developed in order to detect and identify novel analogues without the need for certified reference materials (CRMs) or comprehensive mass spectral libraries. This paper reviews the applications of HRMS for the analysis of NPS in forensic drug chemistry and analytical toxicology. It provides an overview of the sample preparation procedures in addition to data acquisition, instrumental analysis, and data processing techniques. Furthermore, it gives an overview of the current state of non-targeted screening strategies with discussion on future directions and perspectives of this technique. Graphical Abstract Missing the bullseye - a graphical respresentation of non-targeted screening. Image courtesy of Christian Alonzo.

Assessing mine drainage pH from the color and spectral reflectance of chemical precipitates

Science.gov (United States)

Williams, D.J.; Bigham, J.M.; Cravotta, C.A.; Traina, S.J.; Anderson, J.E.; Lyon, J.G.

2002-01-01

The pH of mine impacted waters was estimated from the spectral reflectance of resident sediments composed mostly of chemical precipitates. Mine drainage sediments were collected from sites in the Anthracite Region of eastern Pennsylvania, representing acid to near neutral pH. Sediments occurring in acidic waters contained primarily schwertmannite and goethite while near neutral waters produced ferrihydrite. The minerals comprising the sediments occurring at each pH mode were spectrally separable. Spectral angle difference mapping was used to correlate sediment color with stream water pH (r2=0.76). Band-center and band-depth analysis of spectral absorption features were also used to discriminate ferrihydrite and goethite and/or schwertmannite by analyzing the 4T1??? 6A1 crystal field transition (900-1000 nm). The presence of these minerals accurately predicted stream water pH (r2=0.87) and provided a qualitative estimate of dissolved SO4 concentrations. Spectral analysis results were used to analyze airborne digital multispectral video (DMSV) imagery for several sites in the region. The high spatial resolution of the DMSV sensor allowed for precise mapping of the mine drainage sediments. The results from this study indicate that airborne and space-borne imaging spectrometers may be used to accurately classify streams impacted by acid vs. neutral-to-alkaline mine drainage after appropriate spectral libraries are developed.

State Virtual Libraries

Science.gov (United States)

Pappas, Marjorie L.

2003-01-01

Virtual library? Electronic library? Digital library? Online information network? These all apply to the growing number of Web-based resource collections managed by consortiums of state library entities. Some, like "INFOhio" and "KYVL" ("Kentucky Virtual Library"), have been available for a few years, but others are just starting. Searching for…

Specter: linear deconvolution for targeted analysis of data-independent acquisition mass spectrometry proteomics.

Science.gov (United States)

Peckner, Ryan; Myers, Samuel A; Jacome, Alvaro Sebastian Vaca; Egertson, Jarrett D; Abelin, Jennifer G; MacCoss, Michael J; Carr, Steven A; Jaffe, Jacob D

2018-05-01

Mass spectrometry with data-independent acquisition (DIA) is a promising method to improve the comprehensiveness and reproducibility of targeted and discovery proteomics, in theory by systematically measuring all peptide precursors in a biological sample. However, the analytical challenges involved in discriminating between peptides with similar sequences in convoluted spectra have limited its applicability in important cases, such as the detection of single-nucleotide polymorphisms (SNPs) and alternative site localizations in phosphoproteomics data. We report Specter (https://github.com/rpeckner-broad/Specter), an open-source software tool that uses linear algebra to deconvolute DIA mixture spectra directly through comparison to a spectral library, thus circumventing the problems associated with typical fragment-correlation-based approaches. We validate the sensitivity of Specter and its performance relative to that of other methods, and show that Specter is able to successfully analyze cases involving highly similar peptides that are typically challenging for DIA analysis methods.

Research Library

Science.gov (United States)

Los Alamos National Laboratory Research Library Search Site submit Contact Us | Remote Access Standards Theses/Dissertations Research Help Subject Guides Library Training Video Tutorials Alerts Research Library: delivering essential knowledge services for national security sciences since 1947 Los

THE LICK/SDSS LIBRARY. I. SYNTHETIC INDEX DEFINITION AND CALIBRATION

International Nuclear Information System (INIS)

Franchini, M.; Morossi, C.; Di Marcantonio, P.; Malagnini, M. L.; Chavez, M.

2010-01-01

A new synthetic library of spectral feature indices, Lick/Sloan Digital Sky Survey (SDSS), for stellar population studies is presented. Lick/SDSS is computed from synthetic spectra with resolving power R = 1800 to fully exploit the content of the spectroscopic SDSS-DR7 stellar database. The Lick/SDSS system is based on the Lick/IDS one complemented with a UV index in the wavelength region of Ca II H and K lines. The system is well suited to study α-element abundances in F, G, and K stars. The reliability of synthetic indices in reproducing the behaviors of observational ones with effective temperature, surface gravity, overall metallicity, and α-element abundances is tested by using empirical stellar libraries (ELODIE, INDO-U.S., and MILES) and the SDSS-DR7 spectroscopic database. The importance of using the same temperature scale in comparing theoretical and observational indices is discussed. The full consistency between Lick/SDSS and observational indices derived from the above mentioned stellar libraries is assessed. The comparison with indices computed from SDSS-DR7 spectra evidences good consistency for 'dwarf' stars and significant disagreement for 'giant' stars due to systematic overestimation of the stellar T eff by the SEGUE Stellar Parameter Pipeline.

Library Systems: FY 2013 Public Libraries Survey (Administrative Entity)

Data.gov (United States)

Institute of Museum and Library Services — Find key information on library systems around the United States.These data include imputed values for libraries that did not submit information in the FY 2013 data...

Library Systems: FY 2012 Public Libraries Survey (Administrative Entity)

Data.gov (United States)

Institute of Museum and Library Services — Find key information on library systems around the United States.These data include imputed values for libraries that did not submit information in the FY 2012 data...

CONNJUR Workflow Builder: a software integration environment for spectral reconstruction.

Science.gov (United States)

Fenwick, Matthew; Weatherby, Gerard; Vyas, Jay; Sesanker, Colbert; Martyn, Timothy O; Ellis, Heidi J C; Gryk, Michael R

2015-07-01

CONNJUR Workflow Builder (WB) is an open-source software integration environment that leverages existing spectral reconstruction tools to create a synergistic, coherent platform for converting biomolecular NMR data from the time domain to the frequency domain. WB provides data integration of primary data and metadata using a relational database, and includes a library of pre-built workflows for processing time domain data. WB simplifies maximum entropy reconstruction, facilitating the processing of non-uniformly sampled time domain data. As will be shown in the paper, the unique features of WB provide it with novel abilities to enhance the quality, accuracy, and fidelity of the spectral reconstruction process. WB also provides features which promote collaboration, education, parameterization, and non-uniform data sets along with processing integrated with the Rowland NMR Toolkit (RNMRTK) and NMRPipe software packages. WB is available free of charge in perpetuity, dual-licensed under the MIT and GPL open source licenses.

CONNJUR Workflow Builder: a software integration environment for spectral reconstruction

Energy Technology Data Exchange (ETDEWEB)

Fenwick, Matthew; Weatherby, Gerard; Vyas, Jay; Sesanker, Colbert [UConn Health, Department of Molecular Biology and Biophysics (United States); Martyn, Timothy O. [Rensselaer at Hartford, Department of Engineering and Science (United States); Ellis, Heidi J. C. [Western New England College, Department of Computer Science and Information Technology (United States); Gryk, Michael R., E-mail: gryk@uchc.edu [UConn Health, Department of Molecular Biology and Biophysics (United States)

2015-07-15

CONNJUR Workflow Builder (WB) is an open-source software integration environment that leverages existing spectral reconstruction tools to create a synergistic, coherent platform for converting biomolecular NMR data from the time domain to the frequency domain. WB provides data integration of primary data and metadata using a relational database, and includes a library of pre-built workflows for processing time domain data. WB simplifies maximum entropy reconstruction, facilitating the processing of non-uniformly sampled time domain data. As will be shown in the paper, the unique features of WB provide it with novel abilities to enhance the quality, accuracy, and fidelity of the spectral reconstruction process. WB also provides features which promote collaboration, education, parameterization, and non-uniform data sets along with processing integrated with the Rowland NMR Toolkit (RNMRTK) and NMRPipe software packages. WB is available free of charge in perpetuity, dual-licensed under the MIT and GPL open source licenses.

CONNJUR Workflow Builder: a software integration environment for spectral reconstruction

International Nuclear Information System (INIS)

Fenwick, Matthew; Weatherby, Gerard; Vyas, Jay; Sesanker, Colbert; Martyn, Timothy O.; Ellis, Heidi J. C.; Gryk, Michael R.

2015-01-01

CONNJUR Workflow Builder (WB) is an open-source software integration environment that leverages existing spectral reconstruction tools to create a synergistic, coherent platform for converting biomolecular NMR data from the time domain to the frequency domain. WB provides data integration of primary data and metadata using a relational database, and includes a library of pre-built workflows for processing time domain data. WB simplifies maximum entropy reconstruction, facilitating the processing of non-uniformly sampled time domain data. As will be shown in the paper, the unique features of WB provide it with novel abilities to enhance the quality, accuracy, and fidelity of the spectral reconstruction process. WB also provides features which promote collaboration, education, parameterization, and non-uniform data sets along with processing integrated with the Rowland NMR Toolkit (RNMRTK) and NMRPipe software packages. WB is available free of charge in perpetuity, dual-licensed under the MIT and GPL open source licenses

Library Computing

Science.gov (United States)

Library Computing, 1985

1985-01-01

Special supplement to "Library Journal" and "School Library Journal" covers topics of interest to school, public, academic, and special libraries planning for automation: microcomputer use, readings in automation, online searching, databases of microcomputer software, public access to microcomputers, circulation, creating a…

Spectral trees as a robust annotation tool in LC–MS based metabolomics

NARCIS (Netherlands)

Hooft, van der J.J.J.; Vervoort, J.J.M.; Bino, R.J.; Vos, de C.H.

2012-01-01

The identification of large series of metabolites detectable by mass spectrometry (MS) in crude extracts is a challenging task. In order to test and apply the so-called multistage mass spectrometry (MS n ) spectral tree approach as tool in metabolite identification in complex sample extracts, we

Libraries on the MOVE.

Science.gov (United States)

Edgar, Jim; And Others

1986-01-01

Presents papers from Illinois State Library and Shawnee Library System's "Libraries on the MOVE" conference focusing on how libraries can impact economic/cultural climate of an area. Topics addressed included information services of rural libraries; marketing; rural library development; library law; information access; interagency…

Finite-temperature gluon spectral functions from N{sub f} = 2+1+1 lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Ilgenfritz, Ernst-Michael; Trunin, Anton [Joint Institute for Nuclear Research, Bogoliubov Laboratory of Theoretical Physics, Dubna (Russian Federation); Pawlowski, Jan M. [Universitaet Heidelberg, Institut fuer Theoretische Physik, Heidelberg (Germany); ExtreMe Matter Institute EMMI, GSI Helmholtzzentrum fuer Schwerionenforschung mbH, Darmstadt (Germany); Rothkopf, Alexander [Universitaet Heidelberg, Institut fuer Theoretische Physik, Heidelberg (Germany)

2018-02-15

We investigate gluon correlation functions and spectral functions at finite temperature in Landau gauge on lattice QCD ensembles with N{sub f} = 2+1+1 dynamical twisted-mass quarks flavors, generated by the tmfT collaboration. They cover a temperature range from 0.8 ≤ T/T{sub C} ≤ 4 using the fixed-scale approach. Our study of spectral properties is based on a novel Bayesian approach for the extraction of non-positive-definite spectral functions. For each binned spatial momentum we take into account the gluon correlation functions at all available discrete imaginary frequencies. Clear indications for the existence of a well defined quasi-particle peak are obtained. Due to a relatively small number of imaginary frequencies available, we focus on the momentum and temperature dependence of the position of this spectral feature. The corresponding dispersion relation reveals different in-medium masses for longitudinal and transversal gluons at high temperatures, qualitatively consistent with weak coupling expectations. (orig.)

Different Mass Processing Services in a Bit Repository

DEFF Research Database (Denmark)

Jurik, Bolette; Zierau, Eld

2011-01-01

This paper investigates how a general bit repository mass processing service using different programming models and platforms can be specified. Such a service is needed in large data archives, especially libraries, where different ways of doing mass processing is needed for different digital...

Measurement of mass and isotopic fission yields for heavy fission products with the LOHENGRIN mass spectrometer

International Nuclear Information System (INIS)

Bail, A.

2009-05-01

In spite of the huge amount of fission yield data available in different libraries, more accurate values are still needed for nuclear energy applications and to improve our understanding of the fission process. Thus measurements of fission yields were performed at the mass spectrometer Lohengrin at the Institut Laue-Langevin in Grenoble, France. The mass separator Lohengrin is situated at the research reactor of the institute and permits the placement of an actinide layer in a high thermal neutron flux. It separates fragments according to their atomic mass, kinetic energy and ionic charge state by the action of magnetic and electric fields. Coupled to a high resolution ionization chamber the experiment was used to investigate the mass and isotopic yields of the light mass region. Almost all fission yields of isotopes from Th to Cf have been measured at Lohengrin with this method. To complete and improve the nuclear data libraries, these measurements have been extended in this work to the heavy mass region for the reactions 235 U(n th ,f), 239 Pu(n th ,f) and 241 Pu(n th ,f). For these higher masses an isotopic separation is no longer possible. So, a new method was undertaken with the reaction 239 Pu(n th ,f) to determine the isotopic yields by spectrometry. These experiments have allowed to reduce considerably the uncertainties. Moreover the ionic charge state and kinetic energy distributions were specifically studied and have shown, among others, nanosecond isomers for some masses. (author)

Comparison of Iranian National Medical Library with digital libraries of selected countries.

Science.gov (United States)

Zare-Farashbandi, Firoozeh; Najafi, Nayere Sadat Soleimanzade; Atashpour, Bahare

2014-01-01

The important role of information and communication technologies and their influence on methods of storing, retrieving information in digital libraries, has not only changed the meanings behind classic library activates but has also created great changes in their services. However, it seems that not all digital libraries provide their users with similar services and only some of them are successful in fulfilling their role in digital environment. The Iranian National Medical library is among those that appear to come short compared to other digital libraries around the world. By knowing the different services provided by digital libraries worldwide, one can evaluate the services provided by Iranian National Medical library. The goal of this study is a comparison between Iranian National Medical library and digital libraries of selected countries. This is an applied study and uses descriptive - survey method. The statistical population is the digital libraries around the world which were actively providing library services between October and December 2011 and were selected by using the key word "Digital Library" in Google search engine. The data-gathering tool was direct access to the websites of these digital libraries. The statistical study is descriptive and Excel software was used for data analysis and plotting of the charts. The findings showed that among the 33 digital libraries investigated worldwide, most of them provided Browse (87.87%), Search (84.84%), and Electronic information retrieval (57.57%) services. The "Help" in public services (48/48%) and "Interlibrary Loan" in traditional services (27/27%) had the highest frequency. The Iranian National Medical library provides more digital services compared to other libraries but has less classic and public services and has less than half of possible public services. Other than Iranian National Medical library, among the 33 libraries investigated, the leaders in providing different services are Library of

The NIST Step Class Library (Step Into the Future)

Science.gov (United States)

1990-09-01

Figure 6. Excerpt from a STEP exclange file based on the Geometry model 1be NIST STEP Class Libary Page 13 An issue of concern in this...Scheifler, R., Gettys, J., and Newman, P., X Window System: C Library and Protocol Reference. Digital Press, Bedford, Mass, 1988. [Schenck90] Schenck, D

Spectral identification and quantification of salts in the Atacama Desert

Science.gov (United States)

Harris, J. K.; Cousins, C. R.; Claire, M. W.

2016-10-01

Salt minerals are an important natural resource. The ability to quickly and remotely identify and quantify salt deposits and salt contaminated soils and sands is therefore a priority goal for the various industries and agencies that utilise salts. The advent of global hyperspectral imagery from instruments such as Hyperion on NASA's Earth-Observing 1 satellite has opened up a new source of data that can potentially be used for just this task. This study aims to assess the ability of Visible and Near Infrared (VNIR) spectroscopy to identify and quantify salt minerals through the use of spectral mixture analysis. The surface and near-surface soils of the Atacama Desert in Chile contain a variety of well-studied salts, which together with low cloud coverage, and high aridity, makes this region an ideal testbed for this technique. Two forms of spectral data ranging 0.35 - 2.5 μm were collected: laboratory spectra acquired using an ASD FieldSpec Pro instrument on samples from four locations in the Atacama desert known to have surface concentrations of sulfates, nitrates, chlorides and perchlorates; and images from the EO-1 satellite's Hyperion instrument taken over the same four locations. Mineral identifications and abundances were confirmed using quantitative XRD of the physical samples. Spectral endmembers were extracted from within the laboratory and Hyperion spectral datasets and together with additional spectral library endmembers fed into a linear mixture model. The resulting identification and abundances from both dataset types were verified against the sample XRD values. Issues of spectral scale, SNR and how different mineral spectra interact are considered, and the utility of VNIR spectroscopy and Hyperion in particular for mapping specific salt concentrations in desert environments is established. Overall, SMA was successful at estimating abundances of sulfate minerals, particularly calcium sulfate, from both hyperspectral image and laboratory sample spectra

The USF Libraries Virtual Library Project: A Blueprint for Development.

Science.gov (United States)

Metz-Wiseman, Monica; Silver, Susan; Hanson, Ardis; Johnston, Judy; Grohs, Kim; Neville, Tina; Sanchez, Ed; Gray, Carolyn

This report of the Virtual Library Planning Committee (VLPC) is intending to serve as a blueprint for the University of South Florida (USF) Libraries as it shifts from print to digital formats in its evolution into a "Virtual Library". A comprehensive planning process is essential for the USF Libraries to make optimum use of technology,…

Lyα-EMITTING GALAXIES AT z = 2.1: STELLAR MASSES, DUST, AND STAR FORMATION HISTORIES FROM SPECTRAL ENERGY DISTRIBUTION FITTING

International Nuclear Information System (INIS)

Guaita, Lucia; Padilla, Nelson; Acquaviva, Viviana; Gawiser, Eric; Bond, Nicholas A.; Kurczynski, Peter; Ciardullo, Robin; Gronwall, Caryl; Treister, Ezequiel; Lira, Paulina; Schawinski, Kevin

2011-01-01

We study the physical properties of 216 z ≅ 2.1 Lyα-emitting galaxies (LAEs) discovered in an ultra-deep narrow- MUSYC image of the ECDF-S. We fit their stacked spectral energy distribution (SED) using Charlot and Bruzual templates. We consider star formation histories (SFHs) parameterized by the e-folding time parameter τ, allowing for exponentially decreasing (τ > 0), exponentially increasing (τ * /M sun ) = 8.6[8.4-9.1], E(B - V) = 0.22[0.00-0.31], τ = -0.02[(- 4)-18] Gyr, and age SF = 0.018[0.009-3] Gyr. Thus, we obtain robust measurements of low stellar mass and dust content, but we cannot place meaningful constraints on the age or SFH of the LAEs. We also calculate the instantaneous SFR to be 35[0.003-170] M sun yr -1 , with its average over the last 100 Myr before observation giving (SFR) 100 = 4[2-30] M sun yr -1 . When we compare the results for the same SFH, typical LAEs at z ≅ 2.1 appear dustier and show higher instantaneous SFRs than z ≅ 3.1 LAEs, while the observed stellar masses of the two samples seem consistent. Because the majority are low-mass galaxies, our typical LAEs appear to occupy the low-mass end of the distribution of star-forming galaxies at z ∼ 2. We perform SED fitting on several sub-samples selected based on photometric properties and find that LAE sub-samples at z ≅ 2.1 exhibit heterogeneous properties. The typical IRAC-bright, UV-bright, and red LAEs have the largest stellar mass and dust reddening. The typical UV-faint, IRAC-faint, and high EW LAE sub-samples appear less massive ( 9 M sun ) and less dusty, with E(B - V) consistent with zero.

Our Stories Transforming Our Libraries: The York County Library System

Directory of Open Access Journals (Sweden)

Mina Edmondson

2016-11-01

Full Text Available These narratives chronicle the authors’ journeys to collaborate and discover the transformative impact that stories have on library culture and library staff. This study describes a research collaboration between York County Libraries and Penn State York. In Phase I, we collected stories from library staff as the library system was being challenged to reimage public libraries for the future. The major themes and types of organizational stories identified in the initial narrative project were presented during a county-wide all-staff in-service training. The library District Consultant (first author and the Penn State professor (second author then facilitated a workshop designed to lead staff in their exploration of these topics and generate a written record of their storytelling/discussions. This data became the basis for Phase II of the project and allowed the system to strategically assess its evolving culture and identity.

Digital library initiative in an Indian research library: an experience report

International Nuclear Information System (INIS)

Venkadesan, S.; Narayanan, A.

1999-01-01

Libraries all over the world are transiting from the traditional print only era to the electronic era. The migration to an electronic library involves the understanding of several issues and requirements at the planning stage itself. This paper describes the various aspects of building a digital library system. Experience of implementing certain strategies in the IGCAR library is discussed in detail. The components of the digital library and the various access levels are discussed with examples. Finally, samples of the IGCAR library web site and the Newsletter web site are shown. (author)

Quasars Probing Quasars. X. The Quasar Pair Spectral Database

Science.gov (United States)

Findlay, Joseph R.; Prochaska, J. Xavier; Hennawi, Joseph F.; Fumagalli, Michele; Myers, Adam D.; Bartle, Stephanie; Chehade, Ben; DiPompeo, Michael A.; Shanks, Tom; Lau, Marie Wingyee; Rubin, Kate H. R.

2018-06-01

The rare close projection of two quasars on the sky provides the opportunity to study the host galaxy environment of a foreground quasar in absorption against the continuum emission of a background quasar. For over a decade the “Quasars probing quasars” series has utilized this technique to further the understanding of galaxy formation and evolution in the presence of a quasar at z > 2, resolving scales as small as a galactic disk and from bound gas in the circumgalactic medium to the diffuse environs of intergalactic space. Presented here is the public release of the quasar pair spectral database utilized in these studies. In addition to projected pairs at z > 2, the database also includes quasar pair members at z useful for small-scale clustering studies. In total, the database catalogs 5627 distinct objects, with 4083 lying within 5‧ of at least one other source. A spectral library contains 3582 optical and near-infrared spectra for 3028 of the cataloged sources. As well as reporting on 54 newly discovered quasar pairs, we outline the key contributions made by this series over the last 10 years, summarize the imaging and spectroscopic data used for target selection, discuss the target selection methodologies, describe the database content, and explore some avenues for future work. Full documentation for the spectral database, including download instructions, is supplied at http://specdb.readthedocs.io/en/latest/.

pyOpenMS: a Python-based interface to the OpenMS mass-spectrometry algorithm library.

Science.gov (United States)

Röst, Hannes L; Schmitt, Uwe; Aebersold, Ruedi; Malmström, Lars

2014-01-01

pyOpenMS is an open-source, Python-based interface to the C++ OpenMS library, providing facile access to a feature-rich, open-source algorithm library for MS-based proteomics analysis. It contains Python bindings that allow raw access to the data structures and algorithms implemented in OpenMS, specifically those for file access (mzXML, mzML, TraML, mzIdentML among others), basic signal processing (smoothing, filtering, de-isotoping, and peak-picking) and complex data analysis (including label-free, SILAC, iTRAQ, and SWATH analysis tools). pyOpenMS thus allows fast prototyping and efficient workflow development in a fully interactive manner (using the interactive Python interpreter) and is also ideally suited for researchers not proficient in C++. In addition, our code to wrap a complex C++ library is completely open-source, allowing other projects to create similar bindings with ease. The pyOpenMS framework is freely available at https://pypi.python.org/pypi/pyopenms while the autowrap tool to create Cython code automatically is available at https://pypi.python.org/pypi/autowrap (both released under the 3-clause BSD licence). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

News from the Library: The 'long tail' Library

CERN Multimedia

CERN Library

2012-01-01

"The term 'long tail' has gained popularity in recent times as describing the retailing strategy of selling a large number of unique items with relatively small quantities sold of each usually in addition to selling fewer popular items in large quantities. The long tail was popularized by Chris Anderson, who mentioned Amazon.com, Apple and Yahoo! as examples of businesses applying this strategy." *   If we leave the business environment and move to the world of libraries, we still see this "long tail". Usually, only a small portion of a library's book collection accounts for the majority of its loans. On the other hand, there are a variety of "niche information needs" that might not be met, as libraries cannot afford to build up huge collections of documents available just-in-case. However, the networked environment of today's libraries can offer a solution. Online networks of libraries ca...

Spectral imaging and archival data in analyzing the Madonna of the Rabbit painting by Manet and Titian

Czech Academy of Sciences Publication Activity Database

Striová, J.; Ruberto, C.; Barucci, M.; Blažek, Jan; Kunzelman, D.; Dal Fovo, A.; Pampaloni, E.; Fontana, R.

(2018) ISSN 1433-7851 Institutional support: RVO:67985556 Keywords : spectral mapping * image processing * visible near-infrared multispectral scanner Subject RIV: JC - Computer Hardware ; Software OBOR OECD: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8) Impact factor: 11.994, year: 2016 http://library.utia.cas.cz/separaty/2018/ZOI/blazek-0489046.pdf

Students lead the library the importance of student contributions to the academic library

CERN Document Server

Arnold-Garza, Sara

2017-01-01

In six parts-Students as Employees, Students as Curators, Students as Ambassadors, the Library as Client, Student Groups as Library Leaders, and Students as Library Designers-Students Lead the Library provides case studies of programs and initiatives that seek student input, assistance, and leadership in the academic library. Through the library, students can develop leadership skills, cultivate high levels of engagement, and offer peer learning opportunities. Through the students, libraries can create participatory design processes, enhancement and transformation of the library's core functions, and expressed library value for stakeholders.

Data Analysis Details (DS): SE53_DS01 [Metabolonote[Archive

Lifescience Database Archive (English)

Full Text Available nd mass spectral deconvolutionsoftware, Leco ChromaTOF version 3.22 (LECO, St. Joseph, MI, USA) to MATLAB 6....ectral library (version 2.0) and our custom software for peak annotation written

SPECTRAL-TIMING ANALYSIS OF THE LOWER kHz QPO IN THE LOW-MASS X-RAY BINARY AQUILA X-1

Energy Technology Data Exchange (ETDEWEB)

Troyer, Jon S.; Cackett, Edward M., E-mail: jon.troyer@wayne.edu [Department of Physics and Astronomy, Wayne State University, 666 W. Hancock St, Detroit, MI 48201 (United States)

2017-01-10

Spectral-timing products of kilohertz quasi-periodic oscillations (kHz QPOs) in low-mass X-ray binary (LMXB) systems, including energy- and frequency-dependent lags, have been analyzed previously in 4U 1608-52, 4U 1636-53, and 4U 1728-34. Here, we study the spectral-timing properties of the lower kHz QPO of the neutron star LMXB Aquila X-1 for the first time. We compute broadband energy lags as well as energy-dependent lags and the covariance spectrum using data from the Rossi X-ray Timing Explorer . We find characteristics similar to those of previously studied systems, including soft lags of ∼30 μ s between the 3.0–8.0 keV and 8.0–20.0 keV energy bands at the average QPO frequency. We also find lags that show a nearly monotonic trend with energy, with the highest-energy photons arriving first. The covariance spectrum of the lower kHz QPO is well fit by a thermal Comptonization model, though we find a seed photon temperature higher than that of the mean spectrum, which was also seen in Peille et al. and indicates the possibility of a composite boundary layer emitting region. Lastly, we see in one set of observations an Fe K component in the covariance spectrum at 2.4- σ confidence, which may raise questions about the role of reverberation in the production of lags.

Libraries and Learning

Science.gov (United States)

Rainie, Lee

2016-01-01

The majority of Americans think local libraries serve the educational needs of their communities and families pretty well and library users often outpace others in learning activities. But many do not know about key education services libraries provide. This report provides statistics on library usage and presents key education services provided…

Mass spectral analysis of cationic and neutral technetium complexes

International Nuclear Information System (INIS)

Unger, S.E.; McCormick, T.J.; Nunn, A.N.; Treher, E.N.

1986-01-01

Cationic and neutral technetium compounds have been characterized by mass spectrometry using a variety of ionization methods. These compounds include octahedral cationic complexes containing phosphorous and arsenic ligands such as DIPHOS and DIARS and neutral complexes containing PnAO and dimethylglyoxime, DMG, or cyclohexanedione dioxime, CDO, ligands. Boronate esters incorporating methyl and butyl derivatives of the DMG and CDO dioximes represent a new class of seven-coordinate Tc radiopharmaceuticals whose characterization by mass spectrometry has not previously been described. These complexes show promise as myocardial imaging agents. (author)

Evaluating Public Libraries Using Standard Scores: The Library Quotient.

Science.gov (United States)

O'Connor, Daniel O.

1982-01-01

Describes a method for assessing the performance of public libraries using a standardized scoring system and provides an analysis of public library data from New Jersey as an example. Library standards and the derivation of measurement ratios are also discussed. A 33-item bibliography and three data tables are included. (JL)

The impact of computerisation of library operations on library ...

African Journals Online (AJOL)

The use of computer-based systems in libraries and information units is now a vogue. The era of manual system in library operations is on its way to extinction. Recent developments in information world tend towards a globalized information communication technology (ICT). The library as a dynamic institution cannot afford ...

Library Systems: FY 2014 Public Libraries Survey (Administrative Entity Data)

Data.gov (United States)

Institute of Museum and Library Services — Find key information on library systems around the United States.These data include imputed values for libraries that did not submit information in the FY 2014 data...

Improved documentation of spectral lines for inductively coupled plasma emission spectrometry

Science.gov (United States)

Doidge, Peter S.

2018-05-01

An approach to improving the documentation of weak spectral lines falling near the prominent analytical lines used in inductively coupled plasma optical emission spectrometry (ICP-OES) is described. Measurements of ICP emission spectra in the regions around several hundred prominent lines, using concentrated solutions (up to 1% w/v) of some 70 elements, and comparison of the observed spectra with both recent published work and with the output of a computer program that allows calculation of transitions between the known energy levels, show that major improvements can be made in the coverage of spectral atlases for ICP-OES, with respect to "classical" line tables. It is argued that the atomic spectral data (wavelengths, energy levels) required for the reliable identification and documentation of a large majority of the weak interfering lines of the elements detectable by ICP-OES now exist, except for most of the observed lines of the lanthanide elements. In support of this argument, examples are provided from a detailed analysis of a spectral window centered on the prominent Pb II 220.353 nm line, and from a selected line-rich spectrum (W). Shortcomings in existing analyses are illustrated with reference to selected spectral interferences due to Zr. This approach has been used to expand the spectral-line library used in commercial ICP-ES instruments (Agilent 700-ES/5100-ES). The precision of wavelength measurements is evaluated in terms of the shot-noise limit, while the absolute accuracy of wavelength measurement is characterised through comparison with a small set of precise Ritz wavelengths for Sb I, and illustrated through the identification of Zr III lines; it is further shown that fractional-pixel absolute wavelength accuracies can be achieved. Finally, problems with the wavelengths and classifications of certain Au I lines are discussed.

Fusion of Library, Archive, Museum, Publisher (LAMP: the NTNU Library Experience

Directory of Open Access Journals (Sweden)

Ke, Hao-Ren

2016-06-01

Full Text Available The convergence of libraries, archives, and museums (LAMs has garnered attention in recent years. Extending the tendency further, National Taiwan Normal University (NTNU fuses the library, archive, museum, and publisher (LAMP functionality together in its library. This article elaborates on the LAMP practices of the NTNU Library, which indicates that without creating new units in a university, its library can play a good role of curating invaluable university assets.

The Homeless in the Public Library: Implications for Access to Libraries.

Science.gov (United States)

Simmons, Randall C.

1985-01-01

Discussion of the homeless in American public libraries focuses on harmless individuals who may be considered nuisance by library staff/patrons. Highlights include literature about problem library patrons, national problem, social issues, major themes (offense to others and library staff, balancing rights, and elitism), and implications for…

What in the World Is a State Library? Issues in State Library Management.

Science.gov (United States)

Weaver, Barbara

1990-01-01

Provides an overview of the various roles of state libraries and discusses several issues of concern to all state libraries: the role of the library within state government; resources sharing; school library development; public library development; automation consulting; continuing education for library professionals; and the leadership role of…

A petabyte size electronic library using the N-Gram memory engine

Science.gov (United States)

Bugajski, Joseph M.

1993-01-01

A model library containing petabytes of data is proposed by Triada, Ltd., Ann Arbor, Michigan. The library uses the newly patented N-Gram Memory Engine (Neurex), for storage, compression, and retrieval. Neurex splits data into two parts: a hierarchical network of associative memories that store 'information' from data and a permutation operator that preserves sequence. Neurex is expected to offer four advantages in mass storage systems. Neurex representations are dense, fully reversible, hence less expensive to store. Neurex becomes exponentially more stable with increasing data flow; thus its contents and the inverting algorithm may be mass produced for low cost distribution. Only a small permutation operator would be recalled from the library to recover data. Neurex may be enhanced to recall patterns using a partial pattern. Neurex nodes are measures of their pattern. Researchers might use nodes in statistical models to avoid costly sorting and counting procedures. Neurex subsumes a theory of learning and memory that the author believes extends information theory. Its first axiom is a symmetry principle: learning creates memory and memory evidences learning. The theory treats an information store that evolves from a null state to stationarity. A Neurex extracts information data without a priori knowledge; i.e., unlike neural networks, neither feedback nor training is required. The model consists of an energetically conservative field of uniformly distributed events with variable spatial and temporal scale, and an observer walking randomly through this field. A bank of band limited transducers (an 'eye'), each transducer in a bank being tuned to a sub-band, outputs signals upon registering events. Output signals are 'observed' by another transducer bank (a mid-brain), except the band limit of the second bank is narrower than the band limit of the first bank. The banks are arrayed as n 'levels' or 'time domains, td.' The banks are the hierarchical network (a cortex

Libraries in society

DEFF Research Database (Denmark)

Kristiansson, Michael; Skouvig, Laura Henriette Christine

2008-01-01

The purpose of the paper is to investigate the phenomenon of openness in relation to library development. The term openness is presented and related to library development from historical and theoretical perspectives. The paper elaborates on the differences over time on to how openness has been...... understood in a library setting. Historically, openness in form of the open shelves played a crucial role in developing the modern public library. The paper examines this openness-centred library policy as adopted by Danish public libraries in the beginning of the 20th century by applying the theories...... by Michel Foucault on discourse and power to the introduction of open shelves. Furthermore, the paper discusses current challenges facing the modern public library in coping with openness issues that follow from changes in society and advances in technology. These influences and developments are not least...

SPECTRAL INDEX AS A FUNCTION OF MASS ACCRETION RATE IN BLACK HOLE SOURCES: MONTE CARLO SIMULATIONS AND AN ANALYTICAL DESCRIPTION

International Nuclear Information System (INIS)

Laurent, Philippe; Titarchuk, Lev

2011-01-01

We present herein a theoretical study of correlations between spectral indexes of X-ray emergent spectra and mass accretion rate ( m-dot ) in black hole (BH) sources, which provide a definitive signature for BHs. It has been firmly established, using the Rossi X-ray Timing Explorer (RXTE) in numerous BH observations during hard-soft state spectral evolution, that the photon index of X-ray spectra increases when m-dot increases and, moreover, the index saturates at high values of m-dot . In this paper, we present theoretical arguments that the observationally established index saturation effect versus mass accretion rate is a signature of the bulk (converging) flow onto the BH. Also, we demonstrate that the index saturation value depends on the plasma temperature of converging flow. We self-consistently calculate the Compton cloud (CC) plasma temperature as a function of mass accretion rate using the energy balance between energy dissipation and Compton cooling. We explain the observable phenomenon, index- m-dot correlations using a Monte Carlo simulation of radiative processes in the innermost part (CC) of a BH source and we account for the Comptonization processes in the presence of thermal and bulk motions, as basic types of plasma motion. We show that, when m-dot increases, BH sources evolve to high and very soft states (HSS and VSS, respectively), in which the strong blackbody(BB)-like and steep power-law components are formed in the resulting X-ray spectrum. The simultaneous detections of these two components strongly depends on sensitivity of high-energy instruments, given that the relative contribution of the hard power-law tail in the resulting VSS spectrum can be very low, which is why, to date RXTE observations of the VSS X-ray spectrum have been characterized by the presence of the strong BB-like component only. We also predict specific patterns for high-energy e-fold (cutoff) energy (E fold ) evolution with m-dot for thermal and dynamical (bulk

High-throughput flow injection analysis mass spectroscopy with networked delivery of color-rendered results. 2. Three-dimensional spectral mapping of 96-well combinatorial chemistry racks.

Science.gov (United States)

Görlach, E; Richmond, R; Lewis, I

1998-08-01

For the last two years, the mass spectroscopy section of the Novartis Pharma Research Core Technology group has analyzed tens of thousands of multiple parallel synthesis samples from the Novartis Pharma Combinatorial Chemistry program, using an in-house developed automated high-throughput flow injection analysis electrospray ionization mass spectroscopy system. The electrospray spectra of these samples reflect the many structures present after the cleavage step from the solid support. The overall success of the sequential synthesis is mirrored in the purity of the expected end product, but the partial success of individual synthesis steps is evident in the impurities in the mass spectrum. However this latter reaction information, which is of considerable utility to the combinatorial chemist, is effectively hidden from view by the very large number of analyzed samples. This information is now revealed at the workbench of the combinatorial chemist by a novel three-dimensional display of each rack's complete mass spectral ion current using the in-house RackViewer Visual Basic application. Colorization of "forbidden loss" and "forbidden gas-adduct" zones, normalization to expected monoisotopic molecular weight, colorization of ionization intensity, and sorting by row or column were used in combination to highlight systematic patterns in the mass spectroscopy data.

Library fingerprints: a novel approach to the screening of virtual libraries.

Science.gov (United States)

Klon, Anthony E; Diller, David J

2007-01-01

We propose a novel method to prioritize libraries for combinatorial synthesis and high-throughput screening that assesses the viability of a particular library on the basis of the aggregate physical-chemical properties of the compounds using a naïve Bayesian classifier. This approach prioritizes collections of related compounds according to the aggregate values of their physical-chemical parameters in contrast to single-compound screening. The method is also shown to be useful in screening existing noncombinatorial libraries when the compounds in these libraries have been previously clustered according to their molecular graphs. We show that the method used here is comparable or superior to the single-compound virtual screening of combinatorial libraries and noncombinatorial libraries and is superior to the pairwise Tanimoto similarity searching of a collection of combinatorial libraries.

E-Library and Traditonal Library Resources Usage: A Comparative ...

African Journals Online (AJOL)

A comparative usage of e-library and traditional resources in Nigerian libraries was examined in this study. A descriptive survey method was adopted and a purposive sampling technique was used to select the sample and the process produced 125 academic, research, and public libraries in Nigeria. A total of 116 cases ...

Accurate, fully-automated NMR spectral profiling for metabolomics.

Directory of Open Access Journals (Sweden)

Siamak Ravanbakhsh

Full Text Available Many diseases cause significant changes to the concentrations of small molecules (a.k.a. metabolites that appear in a person's biofluids, which means such diseases can often be readily detected from a person's "metabolic profile"-i.e., the list of concentrations of those metabolites. This information can be extracted from a biofluids Nuclear Magnetic Resonance (NMR spectrum. However, due to its complexity, NMR spectral profiling has remained manual, resulting in slow, expensive and error-prone procedures that have hindered clinical and industrial adoption of metabolomics via NMR. This paper presents a system, BAYESIL, which can quickly, accurately, and autonomously produce a person's metabolic profile. Given a 1D 1H NMR spectrum of a complex biofluid (specifically serum or cerebrospinal fluid, BAYESIL can automatically determine the metabolic profile. This requires first performing several spectral processing steps, then matching the resulting spectrum against a reference compound library, which contains the "signatures" of each relevant metabolite. BAYESIL views spectral matching as an inference problem within a probabilistic graphical model that rapidly approximates the most probable metabolic profile. Our extensive studies on a diverse set of complex mixtures including real biological samples (serum and CSF, defined mixtures and realistic computer generated spectra; involving > 50 compounds, show that BAYESIL can autonomously find the concentration of NMR-detectable metabolites accurately (~ 90% correct identification and ~ 10% quantification error, in less than 5 minutes on a single CPU. These results demonstrate that BAYESIL is the first fully-automatic publicly-accessible system that provides quantitative NMR spectral profiling effectively-with an accuracy on these biofluids that meets or exceeds the performance of trained experts. We anticipate this tool will usher in high-throughput metabolomics and enable a wealth of new applications of

Organizational prerequisites for the preservation of library collections in monastery libraries

Directory of Open Access Journals (Sweden)

Maja Krtalić

2012-02-01

Full Text Available The aim of the paper is to investigate the preservation of written heritage in monastery libraries from legislative, institutional and organizational perspectives, and establish the necessary organizational prerequisites for improvement. Setting off from the presupposition that the library collections of monastery libraries are of immense cultural value, and can therefore be considered cultural good and part of Croatian written heritage, the paper discussed the need for a systematic approach to its protection, both on the operative level, in libraries themselves, and on the strategic level, by the authorities and other relevant institutions in the Republic of Croatia. In addition to the analysis of the legal and institutional frameworks and library collections preservation projects, three case studies were conducted in Franciscan monasteries in Mostar, Požega and Zadar, including interviews with their managers and one subject from the Croatian Institute of Librarianship. The case study aimed to investigate the context of the preservation of library collections in monastery libraries and provide answers to the following questions: how is the preservation in monastery libraries defined; how does it differ from the preservation in other libraries, and how is the preservation of collections in these libraries organized on institutional, local, and national levels? The research sets off from several core presuppositions: monastery libraries have valuable collections of Croatian and European written heritage; the heritage collections in monastery libraries are not investigated, organized, protected or presented at an adequate level; the responsibility for its preservation is not clearly assigned, there is not enough staff trained for preservation; the improvements in preservation and availability of library collections in monastery libraries should result from a better organization and management of the heritage preservation system in monastery

Library 2.0 A New Service Model For Libraries

Directory of Open Access Journals (Sweden)

Agnes Erich

2007-01-01

Full Text Available The utilization of the new information and communication technologies implies a series of changes concerning the libraries. Currently it is spoken more and more about a new type of service offered by them, Library 2.0, which brings in foreground the user who becomes a modeler of the library services and resources. The information structures customer is not satisfied anymore by the unidirectional access to the resources, he wanted to be involved in the evaluation of them, making comments and sharing his ideas with another user. In this sense the library managers are looking for more efficient means to deliver services so that to obtain a proper feedback which enable them to take the best measures to make profitable them. Library 2.0 can be a solution for all these problems.

The Development of National Library Functions in the British Museum Library and the Library of Congress.

Science.gov (United States)

Stewart, Richard Addison

The histories of two national libraries, the British Museum Library and the Library of Congress, are examined with respect to the development of each of three functions: (1) the acquisition and maintenance of a comprehensive collection of the country's publications, usually by copyright deposit; (2) the maintenance of basic research collections in…

Use of library statistics to support library and advisory services and ...

African Journals Online (AJOL)

Statistical information is a vital tool for management and development of organizations. Keeping statistics of activities is basic to the survival and progress of a library and enables the library to measure its performance periodically. The National Library of Nigeria (NLN) places high premium on the library statistics that it ...

Is Your Academic Library Pinning? Academic Libraries and Pinterest

Science.gov (United States)

Thornton, Elaine

2012-01-01

Academic libraries are flocking to online social networking sites in an effort to meet users where they are. Pinterest is the latest of these rapidly growing online social networking tools. The author of this article reports results from a survey on academic libraries' presence on Pinterest. The survey found most academic library pinboards are in…

Library/vendor relationships

CERN Document Server

Brooks, Sam

2014-01-01

A view of the mutual dependence between libraries and vendorsAs technology advances, libraries are forced to reach beyond their own resources to find effective ways to maintain accuracy and superior service levels. Vendors provide databases and integrated library systems that perform those functions for profit. Library/Vendor Relationships examines the increasing cooperation in which libraries find they must participate in, and vice versa, with the vendors that provide system infrastructure and software. Expert contributors provide insights from all sides of this unique collaboration, offering

Dual-Energy Contrast-Enhanced Spectral Mammography: Enhancement Analysis on BI-RADS 4 Non-Mass Microcalcifications in Screened Women.

Directory of Open Access Journals (Sweden)

Yun-Chung Cheung

Full Text Available Mammography screening is a cost-efficient modality with high sensitivity for detecting impalpable cancer with microcalcifications, and results in reduced mortality rates. However, the probability of finding microcalcifications without associated cancerous masses varies. We retrospectively evaluated the diagnosis and cancer probability of the non-mass screened microcalcifications by dual-energy contrast-enhanced spectral mammography (DE-CESM.With ethical approval from our hospital, we enrolled the cases of DE-CESM for analysis under the following inclusion criteria: (1 referrals due to screened BI-RADS 4 microcalcifications; (2 having DE-CESM prior to stereotactic biopsy; (3 no associated mass found by sonography and physical examination; and (4 pathology-based diagnosis using stereotactic vacuum-assisted breast biopsy. We analyzed the added value of post-contrast enhancement on DE-CESM.A total of 94 biopsed lesions were available for analysis in our 87 women, yielding 27 cancers [19 ductal carcinoma in situ (DCIS, and 8 invasive ductal carcinoma (IDC], 32 pre-malignant and 35 benign lesions. Of these 94 lesions, 33 showed associated enhancement in DE-CESM while the other 61 did not. All 8 IDC (100% and 16 of 19 DCIS (84.21% showed enhancement, but the other 3 DCIS (15.79% did not. Overall sensitivity, specificity, positive predictive value, negative predictive value and accuracy were 88.89%, 86.56%, 72.72%, 95.08% and 87.24%, respectively. The performances of DE-CESM on both amorphous and pleomorphic microcalcifications were satisfactory (AUC 0.8 and 0.92, respectively. The pleomorphous microcalcifications with enhancement showed higher positive predictive value (90.00% vs 46.15%, p = 0.013 and higher cancer probability than the amorphous microcalcifications (46.3% VS 15.1%. The Odds Ratio was 4.85 (95% CI: 1.84-12.82.DE-CESM might provide added value in assessing the non-mass screened breast microcalcification, with enhancement favorable to the

Dual-Energy Contrast-Enhanced Spectral Mammography: Enhancement Analysis on BI-RADS 4 Non-Mass Microcalcifications in Screened Women.

Science.gov (United States)

Cheung, Yun-Chung; Juan, Yu-Hsiang; Lin, Yu-Ching; Lo, Yung-Feng; Tsai, Hsiu-Pei; Ueng, Shir-Hwa; Chen, Shin-Cheh

2016-01-01

Mammography screening is a cost-efficient modality with high sensitivity for detecting impalpable cancer with microcalcifications, and results in reduced mortality rates. However, the probability of finding microcalcifications without associated cancerous masses varies. We retrospectively evaluated the diagnosis and cancer probability of the non-mass screened microcalcifications by dual-energy contrast-enhanced spectral mammography (DE-CESM). With ethical approval from our hospital, we enrolled the cases of DE-CESM for analysis under the following inclusion criteria: (1) referrals due to screened BI-RADS 4 microcalcifications; (2) having DE-CESM prior to stereotactic biopsy; (3) no associated mass found by sonography and physical examination; and (4) pathology-based diagnosis using stereotactic vacuum-assisted breast biopsy. We analyzed the added value of post-contrast enhancement on DE-CESM. A total of 94 biopsed lesions were available for analysis in our 87 women, yielding 27 cancers [19 ductal carcinoma in situ (DCIS), and 8 invasive ductal carcinoma (IDC)], 32 pre-malignant and 35 benign lesions. Of these 94 lesions, 33 showed associated enhancement in DE-CESM while the other 61 did not. All 8 IDC (100%) and 16 of 19 DCIS (84.21%) showed enhancement, but the other 3 DCIS (15.79%) did not. Overall sensitivity, specificity, positive predictive value, negative predictive value and accuracy were 88.89%, 86.56%, 72.72%, 95.08% and 87.24%, respectively. The performances of DE-CESM on both amorphous and pleomorphic microcalcifications were satisfactory (AUC 0.8 and 0.92, respectively). The pleomorphous microcalcifications with enhancement showed higher positive predictive value (90.00% vs 46.15%, p = 0.013) and higher cancer probability than the amorphous microcalcifications (46.3% VS 15.1%). The Odds Ratio was 4.85 (95% CI: 1.84-12.82). DE-CESM might provide added value in assessing the non-mass screened breast microcalcification, with enhancement favorable to the

THERMLIB, Generator and Edit of Program THERMOS-OTA Library. THERLIB, Library Generated for THERMOS from FACEL Library

International Nuclear Information System (INIS)

Rastas, A.

1985-01-01

1 - Description of problem or function: THERMLIB is a code that generates, revises and expands the input data library to the lattice cell code THERMOS-OTA. It can be used to: - create an entirely new library; - modify the data of library materials, remove materials, add materials; - list the library. 2 - Restrictions on the complexity of the problem: Max. of 30 materials may be modified or removed. Max. of 30 new materials may be created. Max. of 50 velocity groups

Critical mass calculations for 241Am, 242mAm and 243Am

International Nuclear Information System (INIS)

Dias, Hemanth; Tancock, Nigel; Clayton, Angela

2003-01-01

Criticality mass calculations are reported for 241 Am, 242m Am and 243 Am using the MONK and MCNP computer codes with the UKNDL, JEF-2.2, ENDF/B-VI and JENDL-3.2 nuclear data libraries. Results are reported for spheres of americium metal and dioxide in bare, water reflected and steel reflected systems. Comparison of results led to the identification of a serious inconsistency in the 241 Am ENDF/B-VI DICE library used by MONK - this demonstrates the importance of using different codes to verify critical mass calculations. The 241 Am critical mass estimates obtained using UKNDL and ENDF/B-VI show good agreement with experimentally inferred data, whilst both JEF-2.2 and JENDL-3.2 produce higher estimates of critical mass. The computed critical mass estimates for 242m Am obtained using ENDF/B-VI are lower than the results produced using the other nuclear data libraries - the ENDF/B-VI fission cross-section for 242m Am is significantly higher than the other evaluations in the fast region and is not supported by recent experimental data. There is wide variation in the computed 243 Am critical mass estimates suggesting that there is still considerable uncertainty in the 243 Am nuclear data. (author)

Modelling the cosmic spectral energy distribution and extragalactic background light over all time

Science.gov (United States)

Andrews, S. K.; Driver, S. P.; Davies, L. J. M.; Lagos, C. d. P.; Robotham, A. S. G.

2018-02-01

We present a phenomological model of the cosmic spectral energy distribution (CSED) and the integrated galactic light (IGL) over all cosmic time. This model, based on an earlier model by Driver et al., attributes the cosmic star formation history (CSFH) to two processes - first, chaotic clump accretion and major mergers, resulting in the early-time formation of bulges and secondly, cold gas accretion, resulting in late-time disc formation. Under the assumption of a Universal Chabrier initial mass function, we combine the Bruzual & Charlot stellar libraries, the Charlot & Fall dust attenuation prescription and template spectra for emission by dust and active galactic nuclei to predict the CSED - pre- and post-dust attenuation - and the IGL throughout cosmic time. The phenomological model, as constructed, adopts a number of basic axioms and empirical results and has minimal free parameters. We compare the model output, as well as predictions from the semi-analytic model GALFORM to recent estimates of the CSED out to z = 1. By construction, our empirical model reproduces the full energy output of the Universe from the ultraviolet to the far-infrared extremely well. We use the model to derive predictions of the stellar and dust mass densities, again finding good agreement. We find that GALFORM predicts the CSED for z < 0.3 in good agreement with the observations. This agreement becomes increasingly poor towards z = 1, when the model CSED is ˜50 per cent fainter. The latter is consistent with the model underpredicting the CSFH. As a consequence, GALFORM predicts a ˜30 per cent fainter IGL.

Experimental determination of spectral indices by scanning of fuel rod in the IPEN/MB-01 reactor

International Nuclear Information System (INIS)

Fanaro, Leda Cristina Cabelo Bernardes

2009-01-01

In this work, the spectral indexes 28ρ * and 25δ * , and gamma efficiency factor in the IPEN/MB-01 reactor were determined experimentally employing a rod scanning technique. In the case of 28ρ * , this method has the advantage of eliminating most of the correction factors derived from the calculations. Only the fission yield factor and the relative fission rate in the 235 U remain in the determination of the 25δ * . The experiments were performed with different thicknesses of cadmium sleeves: 0.55 mm, 1.10 mm and 2.20 mm. The final experimental uncertainty achieved in the experiment, less that 1 %, and the excellent geometrical and material data characterization of the IPEN/MB-01 reactor allow to use the results as benchmark for validate calculation methods and related nuclear data libraries. The comparison between calculated values and experimental values was performed by employing the MCNP-5 code and the nuclear data libraries: ENDF/B-VI.8, ENDF/B-VII.0, JENDL-3.3 and JEFF-3.1. The results demonstrate that the difference among libraries is very small. Also, the comparison between calculated values and experimental values shows that there has been considerable progress in the recent nuclear data libraries. The best result is obtained with ENDF/B-VII.0 nuclear data library, and the highest discrepancy was obtained with JEFF-3.1 and JENDL-3.3 nuclear data libraries. (author)

RADARS, a bioinformatics solution that automates proteome mass spectral analysis, optimises protein identification, and archives data in a relational database.

Science.gov (United States)

Field, Helen I; Fenyö, David; Beavis, Ronald C

2002-01-01

RADARS, a rapid, automated, data archiving and retrieval software system for high-throughput proteomic mass spectral data processing and storage, is described. The majority of mass spectrometer data files are compatible with RADARS, for consistent processing. The system automatically takes unprocessed data files, identifies proteins via in silico database searching, then stores the processed data and search results in a relational database suitable for customized reporting. The system is robust, used in 24/7 operation, accessible to multiple users of an intranet through a web browser, may be monitored by Virtual Private Network, and is secure. RADARS is scalable for use on one or many computers, and is suited to multiple processor systems. It can incorporate any local database in FASTA format, and can search protein and DNA databases online. A key feature is a suite of visualisation tools (many available gratis), allowing facile manipulation of spectra, by hand annotation, reanalysis, and access to all procedures. We also described the use of Sonar MS/MS, a novel, rapid search engine requiring 40 MB RAM per process for searches against a genomic or EST database translated in all six reading frames. RADARS reduces the cost of analysis by its efficient algorithms: Sonar MS/MS can identifiy proteins without accurate knowledge of the parent ion mass and without protein tags. Statistical scoring methods provide close-to-expert accuracy and brings robust data analysis to the non-expert user.

Library Search Prefilters for Vehicle Manufacturers to Assist in the Forensic Examination of Automotive Paints.

Science.gov (United States)

Lavine, Barry K; White, Collin G; Ding, Tao

2018-03-01

Pattern recognition techniques have been applied to the infrared (IR) spectral libraries of the Paint Data Query (PDQ) database to differentiate between nonidentical but similar IR spectra of automotive paints. To tackle the problem of library searching, search prefilters were developed to identify the vehicle make from IR spectra of the clear coat, surfacer-primer, and e-coat layers. To develop these search prefilters with the appropriate degree of accuracy, IR spectra from the PDQ database were preprocessed using the discrete wavelet transform to enhance subtle but significant features in the IR spectral data. Wavelet coefficients characteristic of vehicle make were identified using a genetic algorithm for pattern recognition and feature selection. Search prefilters to identify automotive manufacturer through IR spectra obtained from a paint chip recovered at a crime scene were developed using 1596 original manufacturer's paint systems spanning six makes (General Motors, Chrysler, Ford, Honda, Nissan, and Toyota) within a limited production year range (2000-2006). Search prefilters for vehicle manufacturer that were developed as part of this study were successfully validated using IR spectra obtained directly from the PDQ database. Information obtained from these search prefilters can serve to quantify the discrimination power of original automotive paint encountered in casework and further efforts to succinctly communicate trace evidential significance to the courts.

Determination of the Spectral Index in the Fission Spectrum Energy Regime

Energy Technology Data Exchange (ETDEWEB)

Lee, Amy Sarah [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-05-16

Neutron reaction cross sections play a vital role in tracking the production and destruction of isotopes exposed to neutron fluence. They are central to the process of reconciling the initial and final atom inventories. Measurements of irradiated samples by radiochemical methods in tangent with an algorithm are used to evaluate the fluence a sample is exposed to over the course of the irradiation. This algorithm is the Isotope Production Code (IPC) created and used by the radiochemistry data assessment team at Los Alamos National Laboratory (LANL). An integral result is calculated by varying the total neutron fluence seen by a sample. A sample, irradiated in a critical assembly, will be exposed to a unique neutron flux defined by the neutron source and distance of the sample from the source. Neutron cross sections utilized are a function of the hardness of the neutron spectrum at the location of irradiation. A spectral index is used an indicator of the hardness of the neutron spectrum. Cross sections fit forms applied in IPC are collapsed from a LANL 30-group energy structure. Several decades of research and development have been performed to formalize the current IPC cross section library. Basis of the current fission spectrum neutron reaction cross section library is rooted in critical assembly experiments performed from the 1950’s through the early 1970’s at LANL. The focus of this report is development of the spectral index used an indicator of the hardness of the neutron spectrum in the fission spectrum energy regime.

Data Analysis Details (DS): SE58_DS01 [Metabolonote[Archive

Lifescience Database Archive (English)

Full Text Available mass spectral deconvolution software, Leco ChromaTOF version 3.22 (LECO, St. Joseph, MI, USA) to MATLAB 7.0... library (version 2.0) and our custom software for peak annotation written in Jav

Teleporting the library?

DEFF Research Database (Denmark)

Heilesen, Simon

2009-01-01

In 2007, six Danish public libraries established a virtual library, Info Island DK, in Second Life. This article discusses the library project in terms of design. The design processes include the planning and implementation of the virtual library structure and its equipment, as well...... as the organizing and carrying out of activities in the virtual setting. It will be argued that, to a large extent, conventions have determined design and use of the virtual library, and also that design has had an impact on the attitudes and understanding of the participants....

HiC-spector: a matrix library for spectral and reproducibility analysis of Hi-C contact maps.

Science.gov (United States)

Yan, Koon-Kiu; Yardimci, Galip Gürkan; Yan, Chengfei; Noble, William S; Gerstein, Mark

2017-07-15

Genome-wide proximity ligation based assays like Hi-C have opened a window to the 3D organization of the genome. In so doing, they present data structures that are different from conventional 1D signal tracks. To exploit the 2D nature of Hi-C contact maps, matrix techniques like spectral analysis are particularly useful. Here, we present HiC-spector, a collection of matrix-related functions for analyzing Hi-C contact maps. In particular, we introduce a novel reproducibility metric for quantifying the similarity between contact maps based on spectral decomposition. The metric successfully separates contact maps mapped from Hi-C data coming from biological replicates, pseudo-replicates and different cell types. Source code in Julia and Python, and detailed documentation is available at https://github.com/gersteinlab/HiC-spector . koonkiu.yan@gmail.com or mark@gersteinlab.org. Supplementary data are available at Bioinformatics online. © The Author(s) 2017. Published by Oxford University Press.

Public Libraries in Bangladesh.

Science.gov (United States)

Khan, M. H.

1984-01-01

Overview of library movement in Bangladesh highlights British (1851-1947) and Pakistan periods (1947-1971), separation of Bangladesh from Pakistan, libraries in development plans (1951-1970), three important public libraries, development of national library, book resources, a library network plan, legislation, finance, leadership, library…

Library system of Italy

Directory of Open Access Journals (Sweden)

Nataša Gerbec

2003-01-01

Full Text Available In the European extent, Italy is the cradle of libraries and library sciences. In the past, Italian national public libraries played an important role through their vast book treasury. But only during the last thirty years have public libraries been developed following the Anglo-American public library model. Italy does not have any uniform or general legislation concerning libraries. On the state level, this area is regulated by some separate acts, while on the regional level there is a collection of various acts and regulations. Libraries are not strictly divided into general categories. It is required that the professionals engaged in Italian libraries should have secondary or university education. The level of their professional tasks depends on the type of library and its capacity. The competency for the development in the field of librarianship is assigned to The Ministry of Cultural and Environment Heritage as well as to its subordinate institutions (Central Institute for the Union catalogue of Italian Libraries and for Bibliographic Information, Central Institute for Book Pathology, Observatory for International Libraries Programmes.

The library catalogue as a retrieval tool in academic libraries: a case ...

African Journals Online (AJOL)

The library catalogue as a retrieval tool in academic libraries: a case study of federal university of technology Owerri library. ... Information Technologist (The) ... be emphasized and made compulsory for a ll library users and strengthening the ...

A calculation of the physical mass of sigma meson

International Nuclear Information System (INIS)

Morones-Ibarra, J.R.; Santos-Guevara, Ayax

2007-01-01

We calculate the physical mass and the width of the sigma meson by considering that it couples in vacuum to two virtual pions. The mass is calculated by using the spectral function, and we find that it is about 600 MeV. In addition, we obtained 220 MeV as the value for the width of its spectral function. The value obtained for the mass is in good agreement with that reported in the Particle Data Book for the σ meson, which is also named f 0 (600). This result also shows that σ-meson can be considered as a two-pion resonance. (author)

News from the Library

CERN Multimedia

CERN Library

2010-01-01

The LHC Library to be merged with the Central Library. Not everyone knows that CERN Scientific Information Service currently counts three physical libraries on site. The Central Library is located in Building 52 and there are two satellite libraries located respectively in building 30 (the LHC Library) and in building 864 on Prévessin site (the SPS Library). Moreover, the Legal Service Library is located in Building 60. In the past, there have been at CERN up to 6 satellite libraries; they were essential at a time when information was only in paper form and having multiple copies of documents located in several places at CERN was useful to facilitate scientific research. Today, this need is less critical as most of our resources are online. That is why, following a SIPB (Scientific Information Policy Board) decision, the collections of the LHC Library will be merged this summer with the Central collection. This reorganization and centralization of resources will improve loan services. The SP...

Library Research and Statistics. Research on Libraries and Librarianship in 2002; Number of Libraries in the United States and Canada; Highlights of NCES Surveys; Library Acquisition Expenditures, 2001-2002: U.S. Public, Academic, Special, and Government Libraries; LJ Budget Report: A Precarious Holding Pattern; Price Indexes for Public and Academic Libraries; Library Buildings 2002: The Building Buck Doesn't Stop Here.

Science.gov (United States)

Lynch, Mary Jo; Oder, Norman; Halstead, Kent; Fox, Bette-Lee

2003-01-01

Includes seven reports that discuss research on libraries and librarianship, including academic, public, and school libraries; awards and grants; number of libraries in the United States and Canada; National Center for Education Statistics results; library expenditures for public, academic, special, and government libraries; library budgets; price…

Simultaneous ion detection in a mass spectrometer with variable mass dispersion

International Nuclear Information System (INIS)

Tuithof, H.H.

1977-01-01

This thesis mainly describes the ion-optics of a magnetic mass spectrometer system, especially applied to the projection of a significant part of the mass spectrum onto a flat ion-detector. The complete detector consists of a channeltron electron multiplier array with phosphor screen and a Vidicon-multichannel analyzer combination for simultaneous read-out. In order to optimise the spectral range projected onto the channelplate, by varying the mass dispersion and to rotate the oblique angle of the mass focal plane with respect to the detector surface, the sector magnet has been combined with electrostatic and magnetic quadrupole lenses. This detector will find wide application in the analysis of minute sample quantities, in the recording of extremely short ion events (large molecules) and at collision activation mass-spectrometry studies

Library design practices for success in lead generation with small molecule libraries.

Science.gov (United States)

Goodnow, R A; Guba, W; Haap, W

2003-11-01

The generation of novel structures amenable to rapid and efficient lead optimization comprises an emerging strategy for success in modern drug discovery. Small molecule libraries of sufficient size and diversity to increase the chances of discovery of novel structures make the high throughput synthesis approach the method of choice for lead generation. Despite an industry trend for smaller, more focused libraries, the need to generate novel lead structures makes larger libraries a necessary strategy. For libraries of a several thousand or more members, solid phase synthesis approaches are the most suitable. While the technology and chemistry necessary for small molecule library synthesis continue to advance, success in lead generation requires rigorous consideration in the library design process to ensure the synthesis of molecules possessing the proper characteristics for subsequent lead optimization. Without proper selection of library templates and building blocks, solid phase synthesis methods often generate molecules which are too heavy, too lipophilic and too complex to be useful for lead optimization. The appropriate filtering of virtual library designs with multiple computational tools allows the generation of information-rich libraries within a drug-like molecular property space. An understanding of the hit-to-lead process provides a practical guide to molecular design characteristics. Examples of leads generated from library approaches also provide a benchmarking of successes as well as aspects for continued development of library design practices.

Spectral representation in stochastic quantization

International Nuclear Information System (INIS)

Nakazato, Hiromichi.

1988-10-01

A spectral representation of stationary 2-point functions is investigated based on the operator formalism in stochastic quantization. Assuming the existence of asymptotic non-interacting fields, we can diagonalize the total Hamiltonian in terms of asymptotic fields and show that the correlation length along the fictious time is proportional to the physical mass expected in the usual field theory. A relation between renormalization factors in the operator formalism is derived as a byproduct and its validity is checked with the perturbative results calculated in this formalism. (orig.)

Chat reference service in medical libraries: part 2--Trends in medical school libraries.

Science.gov (United States)

Dee, Cheryl R

2003-01-01

An increasing number of medical school libraries offer chat service to provide immediate, high quality information at the time and point of need to students, faculty, staff, and health care professionals. Part 2 of Chat Reference Service in Medical Libraries presents a snapshot of the current trends in chat reference service in medical school libraries. In late 2002, 25 (21%) medical school libraries provided chat reference. Trends in chat reference services in medical school libraries were compiled from an exploration of medical school library Web sites and informal correspondence from medical school library personnel. Many medical libraries are actively investigating and planning new chat reference services, while others have decided not to pursue chat reference at this time. Anecdotal comments from medical school library staff provide insights into chat reference service.

Comprehensive MALDI-TOF biotyping of the non-redundant Harvard Pseudomonas aeruginosa PA14 transposon insertion mutant library.

Science.gov (United States)

Oumeraci, Tonio; Jensen, Vanessa; Talbot, Steven R; Hofmann, Winfried; Kostrzewa, Markus; Schlegelberger, Brigitte; von Neuhoff, Nils; Häussler, Susanne

2015-01-01

Pseudomonas aeruginosa is a gram-negative bacterium that is ubiquitously present in the aerobic biosphere. As an antibiotic-resistant facultative pathogen, it is a major cause of hospital-acquired infections. Its rapid and accurate identification is crucial in clinical and therapeutic environments. In a large-scale MALDI-TOF mass spectrometry-based screen of the Harvard transposon insertion mutant library of P. aeruginosa strain PA14, intact-cell proteome profile spectra of 5547 PA14 transposon mutants exhibiting a plethora of different phenotypes were acquired and analyzed. Of all P. aeruginosa PA14 mutant profiles 99.7% were correctly identified as P. aeruginosa with the Biotyper software on the species level. On the strain level, 99.99% of the profiles were mapped to five different individual P. aeruginosa Biotyper database entries. A principal component analysis-based approach was used to determine the most important discriminatory mass features between these Biotyper groups. Although technical replicas were consistently categorized to specific Biotyper groups in 94.2% of the mutant profiles, biological replicas were not, indicating that the distinct proteotypes are affected by growth conditions. The PA14 mutant profile collection presented here constitutes the largest coherent P. aeruginosa MALDI-TOF spectral dataset publicly available today. Transposon insertions in thousands of different P. aeruginosa genes did not affect species identification from MALDI-TOF mass spectra, clearly demonstrating the robustness of the approach. However, the assignment of the individual spectra to sub-groups proved to be non-consistent in biological replicas, indicating that the differentiation between biotyper groups in this nosocomial pathogen is unassured.

Construction of Chinese adult male phantom library and its application in the virtual calibration of in vivo measurement

International Nuclear Information System (INIS)

Chen, Yizheng; Qiu, Rui; Li, Chunyan; Wu, Zhen; Li, Junli

2016-01-01

In vivo measurement is a main method of internal contamination evaluation, particularly for large numbers of people after a nuclear accident. Before the practical application, it is necessary to obtain the counting efficiency of the detector by calibration. The virtual calibration based on Monte Carlo simulation usually uses the reference human computational phantom, and the morphological difference between the monitored personnel with the calibrated phantom may lead to the deviation of the counting efficiency. Therefore, a phantom library containing a wide range of heights and total body masses is needed. In this study, a Chinese reference adult male polygon surface (CRAM-S) phantom was constructed based on the CRAM voxel phantom, with the organ models adjusted to match the Chinese reference data. CRAM-S phantom was then transformed to sitting posture for convenience in practical monitoring. Referring to the mass and height distribution of the Chinese adult male, a phantom library containing 84 phantoms was constructed by deforming the reference surface phantom. Phantoms in the library have 7 different heights ranging from 155 cm to 185 cm, and there are 12 phantoms with different total body masses in each height. As an example of application, organ specific and total counting efficiencies of Ba-133 were calculated using the MCNPX code, with two series of phantoms selected from the library. The influence of morphological variation on the counting efficiency was analyzed. The results show only using the reference phantom in virtual calibration may lead to an error of 68.9% for total counting efficiency. Thus the influence of morphological difference on virtual calibration can be greatly reduced using the phantom library with a wide range of masses and heights instead of a single reference phantom. (paper)

Construction of Chinese adult male phantom library and its application in the virtual calibration of in vivo measurement

Science.gov (United States)

Chen, Yizheng; Qiu, Rui; Li, Chunyan; Wu, Zhen; Li, Junli

2016-03-01

In vivo measurement is a main method of internal contamination evaluation, particularly for large numbers of people after a nuclear accident. Before the practical application, it is necessary to obtain the counting efficiency of the detector by calibration. The virtual calibration based on Monte Carlo simulation usually uses the reference human computational phantom, and the morphological difference between the monitored personnel with the calibrated phantom may lead to the deviation of the counting efficiency. Therefore, a phantom library containing a wide range of heights and total body masses is needed. In this study, a Chinese reference adult male polygon surface (CRAM_S) phantom was constructed based on the CRAM voxel phantom, with the organ models adjusted to match the Chinese reference data. CRAMS phantom was then transformed to sitting posture for convenience in practical monitoring. Referring to the mass and height distribution of the Chinese adult male, a phantom library containing 84 phantoms was constructed by deforming the reference surface phantom. Phantoms in the library have 7 different heights ranging from 155 cm to 185 cm, and there are 12 phantoms with different total body masses in each height. As an example of application, organ specific and total counting efficiencies of Ba-133 were calculated using the MCNPX code, with two series of phantoms selected from the library. The influence of morphological variation on the counting efficiency was analyzed. The results show only using the reference phantom in virtual calibration may lead to an error of 68.9% for total counting efficiency. Thus the influence of morphological difference on virtual calibration can be greatly reduced using the phantom library with a wide range of masses and heights instead of a single reference phantom.

ORIGEN-S data libraries

International Nuclear Information System (INIS)

Ryman, J.C.

1984-01-01

There are five card-image nuclear data libraries: (1) a small light element library for 253 nuclides, (2) a large light element library for 687 nuclides, (3) an actinide library for 101 nuclides, (4) a small fission product library for 461 nuclides, and (5) a large fission product library for 821 nuclides. The data for each nuclide are contained on five card-image records. The first card image contains decay data (half-life, branching fractions, recoverable energy per decay and the fraction of recoverable energy from photons), percent natural abundance, and radioactivity concentration guides. The last four card images contain cross section and (for fission product nuclides) fission yield data for four reactor types (HTGR, LWR, LMFBR, and MSBR), with one card for each reactor type. The card-image nuclear data libraries are the basic libraries for ORIGEN-S. The code can be run using these libraries directly, or it can be run from a binary data library which (prior to any cross section or other nuclear data updating) was created by running the COUPLE code to convert one or more of these card-image libraries

Main Libraries, Branches, and Bookmobiles: FY 2013 Public Libraries Survey (Outlet)

Data.gov (United States)

Institute of Museum and Library Services — Find key information on main libraries, branches, and bookmobiles, including FSCS IDs and location.These data include imputed values for libraries that did not...

Afghanistan Digital Library Initiative: Revitalizing an Integrated Library System

Directory of Open Access Journals (Sweden)

Yan HAN

2007-12-01

Full Text Available This paper describes an Afghanistan digital library initiative of building an integrated library system (ILS for Afghanistan universities and colleges based on open-source software. As one of the goals of the Afghan eQuality Digital Libraries Alliance, the authors applied systems analysis approach, evaluated different open-source ILSs, and customized the selected software to accommodate users’ needs. Improvements include Arabic and Persian language support, user interface changes, call number label printing, and ISBN-13 support. To our knowledge, this ILS is the first at a large academic library running on open-source software.

Presentation of the selected French libraries and the French library system

Directory of Open Access Journals (Sweden)

Moja Kotar

2007-01-01

Full Text Available The Selected French libraries (Bibliotheque nationale de France, Bibliotheque publique d’information, multimedia library of the Cité des sciences et de l’industrie as well as Paris public libraries are presented in the article. France does not have a union catalogue at the national level, therefore libraries use different platforms for shared cataloguing and compile more union catalogues. According to their needs, French libraries join into consortia for the acquisition of electronic resources, which can be either geographically or thematically delimited or formed by the institutions of the same status. The author believes that the Slovenian library network works well considering much smaller budget for culture and higher education in comparison with France. To improve its performance, more funds would have to be allocated and higher reputation of the library profession achieved, comparable to the situation in France. Digitization of resources is the area where the Slovenian librarianship lags most behind the French one.

The application of the Chebyshev-spectral method in transport phenomena

CERN Document Server

Guo, Weidong; Narayanan, Ranga

2012-01-01

Transport phenomena problems that occur in engineering and physics are often multi-dimensional and multi-phase in character.  When taking recourse to numerical methods the spectral method is particularly useful and efficient. The book is meant principally to train students and non-specialists  to use the spectral method for solving problems that model fluid flow in closed geometries with heat or mass transfer.  To this aim the reader should bring a working knowledge of fluid mechanics and heat transfer and should be readily conversant with simple concepts of linear algebra including spectral decomposition of matrices as well as solvability conditions for inhomogeneous problems.  The book is neither meant to supply a ready-to-use program that is all-purpose nor to go through all manners of mathematical proofs.  The focus in this tutorial is on the use of the spectral methods for space discretization, because this is where most of the difficulty lies. While time dependent problems are also of great interes...

German Librarianship and Munich Libraries

Directory of Open Access Journals (Sweden)

Osman Ümit Özen

1994-06-01

Full Text Available There are 27 municipal libraries including the Central Public Library in Munich. The other important libraries in the city are Bayern State National Library, Maximillian University Library, a technical highschool library and the "Deutsches Musuem" Library. All these libraries are financed locally. The author introduces these libraries briefly and compares German libraries with Turkish libraries. He concludes that although theoretically there are not distinctive differences, in practice, buildings and their layout are better in Germany where more variety of services are offered. In Turkey standardization has not been realized yet. Turkey needs to computerize and network to improve the services offered in an efficient way.

Assessment of Library Instruction and Library Literacy Skills of First ...

African Journals Online (AJOL)

This study investigated the effectiveness and impact of library instruction (GST 111 – the use of library) course on library literacy skills of first year undergraduate students. The study adopted the descriptive survey research method and questionnaire was used as the research instrument. First year undergraduate students of ...

Student Library Pages: Valuable Resource for the Library Media Center.

Science.gov (United States)

Crowther, Eleanor

1993-01-01

Describes the use of students as library pages at the Loudoun Country Day School (Virginia). Highlights include student selection procedures, including interviews; parental consent form; library page duties; benefits to students; benefits to the library; and parent attitudes. Copies of the student interview form and parental consent form are…

Use of mass spectral method for plotting P-T and T-x pro ection of state diagram of LiF-ZrF4 system

International Nuclear Information System (INIS)

Korenev, Yu.M.; Rykov, A.N.; Novoselova, A.V.

1979-01-01

T-x and P-T projections of the state diagram for the system LiF-ZrF 4 were constructed. The Knudsen effusion technique with the mass-spectral analysis of the evaporation products was employed to determine the vapor composition and pressure. LiF, LiF 2 , Li 3 F 3 , ZrF 4 , LiZrF 5 , Li 2 ZrF 6 , LiZrF 9 molecules were found in the saturated vapor of the system. Heats of evaporation of the molecules and their partial pressures depending on the melt composition were determined. Dissociation enthalpies of the complex molecules were calcuted

The Value of Nonmedical Academic Libraries to Medical Libraries: A Case in Point

Science.gov (United States)

Drake, Paul B.

2010-01-01

While the National Library of Medicine created the National Network of Libraries of Medicine (NN/LM) as a network to provide medical and health information, historically few nonmedical academic libraries have participated. University medical libraries and hospital libraries have been the major focus of the Network. Recently, the NNLM has…

Library of Giant Planet Reflection Spectra for WFirst and Future Space Telescopes

Science.gov (United States)

Smith, Adam J. R. W.; Fortney, Jonathan; Morley, Caroline; Batalha, Natasha E.; Lewis, Nikole K.

2018-01-01

Future large space space telescopes will be able to directly image exoplanets in optical light. The optical light of a resolved planet is due to stellar flux reflected by Rayleigh scattering or cloud scattering, with absorption features imprinted due to molecular bands in the planetary atmosphere. To aid in the design of such missions, and to better understand a wide range of giant planet atmospheres, we have built a library of model giant planet reflection spectra, for the purpose of determining effective methods of spectral analysis as well as for comparison with actual imaged objects. This library covers a wide range of parameters: objects are modeled at ten orbital distances between 0.5 AU and 5.0 AU, which ranges from planets too warm for water clouds, out to those that are true Jupiter analogs. These calculations include six metalicities between solar and 100x solar, with a variety of different cloud thickness parameters, and across all possible phase angles.

JEFF-3T. Decay data and fission yield libraries

International Nuclear Information System (INIS)

Bersillon, O.; Blachot, J.; Dean, C.J.; Mills, R.W.; Nichols, A.L.; Nouri, A.

2002-01-01

Comprehensive decay-data and fission-yield libraries provide important input to a wide range of nuclear physics codes for nuclear applications. A new initiative has begun under the auspices of the NEA/OECD to generate improved data sets that will constitute the JEFF-3 libraries in ENDF-6 format, primarily for nuclear power, fuel reprocessing and waste management needs. Various sources of decay data have been accessed in order to assemble these files: NUBASE, ENSDF, UKPADD-6 and UKHEDD-2. Efforts have also focused on the evaluation of decay data for a number of important short-lived fission products, so that artificial adjustments to some of the relevant decay data and fission yields are not required to accommodate a previous lack of such data. Fission yields were adopted from UK evaluations recently undertaken to create the UKFY3 library. Decay-data files for 3 755 nuclides have been prepared, including sets of data for the stable nuclides (i.e. mass, natural abundance, spin and parity). Problems in the assignment of ENDF material numbers were addressed, while format and consistency tests were made using CHECKR and FIZCON, respectively. The assembly processes are discussed and reviewed, and the contents of the JEFF-3T starter libraries are described. (author)

Marketing the Virtual Library

Science.gov (United States)

Fagan, Jody Condit

2009-01-01

Far more people are familiar with their local public or college library facility than their library's website and online resources. In fact, according to a recent survey, 96% of Americans said they had visited a library in person, but less than one-third have visited their online library. Since everyone agrees that online library resources are…

Screening of 439 Pesticide Residues in Fruits and Vegetables by Gas Chromatography-Quadrupole-Time-of-Flight Mass Spectrometry Based on TOF Accurate Mass Database and Q-TOF Spectrum Library.

Science.gov (United States)

Li, Jian-Xun; Li, Xiao-Ying; Chang, Qiao-Ying; Li, Yan; Jin, Ling-He; Pang, Guo-Fang; Fan, Chun-Lin

2018-05-03

Because of its unique characteristics of accurate mass full-spectrum acquisition, high resolution, and fast acquisition rates, GC-quadrupole-time-of-flight MS (GC-Q-TOF/MS) has become a powerful tool for pesticide residue analysis. In this study, a TOF accurate mass database and Q-TOF spectrum library of 439 pesticides were established, and the parameters of the TOF database were optimized. Through solid-phase extraction (SPE), whereby pesticides are extracted from fruit and vegetable substrates by using 40 mL 1% acetic acid in acetonitrile (v/v), purified by the Carbon/NH₂ SPE cartridge, and finally detected by GC-Q-TOF/MS, the rapid analysis of 439 pesticides in fruits and vegetables can be achieved. The methodology verification results show that more than 70 and 91% of pesticides, spiked in fruits and vegetables with concentrations of 10 and 100 μg/kg, respectively, saw recoveries that conform to the European Commission's criterion of between 70 and 120% with RSD ≤20%. Eighty-one percent of pesticides have screening detection limits lower than 10 μg/kg, which makes this a reliable analysis technology for the monitoring of pesticide residues in fruits and vegetables. This technology was further validated for its characteristics of high precision, high speed, and high throughput through successful detection of 9817 samples during 2013-2015.

[Research on Spectral Polarization Imaging System Based on Static Modulation].

Science.gov (United States)

Zhao, Hai-bo; Li, Huan; Lin, Xu-ling; Wang, Zheng

2015-04-01

The main disadvantages of traditional spectral polarization imaging system are: complex structure, with moving parts, low throughput. A novel method of spectral polarization imaging system is discussed, which is based on static polarization intensity modulation combined with Savart polariscope interference imaging. The imaging system can obtain real-time information of spectral and four Stokes polarization messages. Compared with the conventional methods, the advantages of the imaging system are compactness, low mass and no moving parts, no electrical control, no slit and big throughput. The system structure and the basic theory are introduced. The experimental system is established in the laboratory. The experimental system consists of reimaging optics, polarization intensity module, interference imaging module, and CCD data collecting and processing module. The spectral range is visible and near-infrared (480-950 nm). The white board and the plane toy are imaged by using the experimental system. The ability of obtaining spectral polarization imaging information is verified. The calibration system of static polarization modulation is set up. The statistical error of polarization degree detection is less than 5%. The validity and feasibility of the basic principle is proved by the experimental result. The spectral polarization data captured by the system can be applied to object identification, object classification and remote sensing detection.

Library Systems: FY 1992-2012 Public Libraries Survey Trends (Administrative Entity)

Data.gov (United States)

Institute of Museum and Library Services — Find key information on trends in library systems around the United States from FY 1992 to FY 2012.These data include imputed values for libraries that did not...

FENDL multigroup libraries

International Nuclear Information System (INIS)

Ganesan, S.; Muir, D.W.

1992-01-01

Selected neutron reaction nuclear data libraries and photon-atomic interaction cross section libraries for elements of interest to the IAEA's program on Fusion Evaluated Nuclear Data Library (FENDL) have been processed into MATXSR format using the NJOY system on the VAX4000 computer of the IAEA. This document lists the resulting multigroup data libraries. All the multigroup data generated are available cost-free upon request from the IAEA Nuclear Data Section. (author). 9 refs

DNA-encoded chemical libraries: advancing beyond conventional small-molecule libraries.

Science.gov (United States)

Franzini, Raphael M; Neri, Dario; Scheuermann, Jörg

2014-04-15

DNA-encoded chemical libraries (DECLs) represent a promising tool in drug discovery. DECL technology allows the synthesis and screening of chemical libraries of unprecedented size at moderate costs. In analogy to phage-display technology, where large antibody libraries are displayed on the surface of filamentous phage and are genetically encoded in the phage genome, DECLs feature the display of individual small organic chemical moieties on DNA fragments serving as amplifiable identification barcodes. The DNA-tag facilitates the synthesis and allows the simultaneous screening of very large sets of compounds (up to billions of molecules), because the hit compounds can easily be identified and quantified by PCR-amplification of the DNA-barcode followed by high-throughput DNA sequencing. Several approaches have been used to generate DECLs, differing both in the methods used for library encoding and for the combinatorial assembly of chemical moieties. For example, DECLs can be used for fragment-based drug discovery, displaying a single molecule on DNA or two chemical moieties at the extremities of complementary DNA strands. DECLs can vary substantially in the chemical structures and the library size. While ultralarge libraries containing billions of compounds have been reported containing four or more sets of building blocks, also smaller libraries have been shown to be efficient for ligand discovery. In general, it has been found that the overall library size is a poor predictor for library performance and that the number and diversity of the building blocks are rather important indicators. Smaller libraries consisting of two to three sets of building blocks better fulfill the criteria of drug-likeness and often have higher quality. In this Account, we present advances in the DECL field from proof-of-principle studies to practical applications for drug discovery, both in industry and in academia. DECL technology can yield specific binders to a variety of target

Understanding Soliton Spectral Tunneling as a Spectral Coupling Effect

DEFF Research Database (Denmark)

Guo, Hairun; Wang, Shaofei; Zeng, Xianglong

2013-01-01

Soliton eigenstate is found corresponding to a dispersive phase profile under which the soliton phase changes induced by the dispersion and nonlinearity are instantaneously counterbalanced. Much like a waveguide coupler relying on a spatial refractive index profile that supports mode coupling...... between channels, here we suggest that the soliton spectral tunneling effect can be understood supported by a spectral phase coupler. The dispersive wave number in the spectral domain must have a coupler-like symmetric profile for soliton spectral tunneling to occur. We show that such a spectral coupler...

The WIMSLIB library - neutron data library for WIMS-D

International Nuclear Information System (INIS)

Liu Ping

1998-05-01

During a visit to the IAEA Nuclear Data Section from 13 June to 12 December 1997, the author processed the Chinese Evaluated Nuclear Data Library (CENDL), Version 2.1, using the NJOY Nuclear Data Processing System, Version 94.105, to generate the working library WIMSLIB for input to WIMS-D/4 and WIMS-D/5A. The WIMSLIB library was then used to perform benchmark testing of CENDL-2.1. (author)

Leadership In The Public Library : Case Study In Tenteram City Public Library

Directory of Open Access Journals (Sweden)

Muhammad Irsyad Al Fatih

2018-01-01

Full Text Available In the formal and informal organization, it is always found someone who is considered more prominent than others, who then appointed or designated as a leader. The Leader of an organization is expected to have leadership qualities, which showed his skills in leading organizations. A leader in the library requires synergy between skills in library management and leadership in general in order to create a good working atmosphere and to encourage the library staff in providing the best services to the patron community. Tenteram City Public library since year of 2018 has never experienced a change of its leader. Research using qualitative approach aimed to identify the leadership of Tenteram City public library leader in developing human resources and library services. Data of this study is gathered through observation and interviews. It is found that the head of the library serves as a role model in imbedding working discipline, he never involved the staff in decision making, the fear of making mistake is the working atmosphere created in the library. The Research found that the head of Tenteram City public library adopts autocratic leadership.

Leadership In The Public Library : Case Study In Tenteram City Public Library

Directory of Open Access Journals (Sweden)

Muhammad Irsyad Alfatih

2017-06-01

In the formal and informal organization, it is always found someone who is considered more prominent than others, who then appointed or designated as a leader. The Leader of an organization is expected to have leadership qualities, which showed his skills in leading organizations. A leader in the library requires synergy between skills in library management and leadership in general in order to create a good working atmosphere and to encourage the library staff in providing the best services to the patron community. Tenteram City Public library since year of 2018 has never experienced a change of its leader. Research using qualitative approach aimed to identify the leadership of Tenteram City public library leader in developing human resources and library services. Data of this study is gathered through observation and interviews. It is found that the head of the library serves as a role model in imbedding working discipline, he never involved the staff in decision making, the fear of making mistake is the working atmosphere created in the library. The Research found that the head of Tenteram City public library adopts autocratic leadership.

Combining a Deconvolution and a Universal Library Search Algorithm for the Nontarget Analysis of Data-Independent Acquisition Mode Liquid Chromatography-High-Resolution Mass Spectrometry Results.

Science.gov (United States)

Samanipour, Saer; Reid, Malcolm J; Bæk, Kine; Thomas, Kevin V

2018-04-17

Nontarget analysis is considered one of the most comprehensive tools for the identification of unknown compounds in a complex sample analyzed via liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS). Due to the complexity of the data generated via LC-HRMS, the data-dependent acquisition mode, which produces the MS 2 spectra of a limited number of the precursor ions, has been one of the most common approaches used during nontarget screening. However, data-independent acquisition mode produces highly complex spectra that require proper deconvolution and library search algorithms. We have developed a deconvolution algorithm and a universal library search algorithm (ULSA) for the analysis of complex spectra generated via data-independent acquisition. These algorithms were validated and tested using both semisynthetic and real environmental data. A total of 6000 randomly selected spectra from MassBank were introduced across the total ion chromatograms of 15 sludge extracts at three levels of background complexity for the validation of the algorithms via semisynthetic data. The deconvolution algorithm successfully extracted more than 60% of the added ions in the analytical signal for 95% of processed spectra (i.e., 3 complexity levels multiplied by 6000 spectra). The ULSA ranked the correct spectra among the top three for more than 95% of cases. We further tested the algorithms with 5 wastewater effluent extracts for 59 artificial unknown analytes (i.e., their presence or absence was confirmed via target analysis). These algorithms did not produce any cases of false identifications while correctly identifying ∼70% of the total inquiries. The implications, capabilities, and the limitations of both algorithms are further discussed.

LANL Research Library

Science.gov (United States)

Los Alamos National Laboratory The LANL Research Library website has been moved to http ://www.lanl.gov/library/. Please update your bookmarks. If you are not redirected to the new location within 10 http:// | Last Modified: Send email to the Library

The E-rate Program and Libraries and Library Consortia, 2000-2004: Trends and Issues

Directory of Open Access Journals (Sweden)

Paul T. Jaeger

2005-06-01

Full Text Available The E-rate program has provided tremendous benefits to libraries, allowing many libraries and library systems to acquire technological equipment and services that would otherwise be too expensive, increasing the availability of public Internet access through libraries. This article analyzes the data related to the E-rate program and the discounts that it has provided to libraries and library systems between 2000 and 2004. By examining the E-rate data in a longitudinal manner, this article explores the trends in the application for and the provision of E-rate discounts to libraries and library consortia at national and state levels. The data suggest that, despite a number of controversies over the years, the program has provided a significant level of support for libraries and library consortia.

Applying DEA Technique to Library Evaluation in Academic Research Libraries.

Science.gov (United States)

Shim, Wonsik

2003-01-01

This study applied an analytical technique called Data Envelopment Analysis (DEA) to calculate the relative technical efficiency of 95 academic research libraries, all members of the Association of Research Libraries. DEA, with the proper model of library inputs and outputs, can reveal best practices in the peer groups, as well as the technical…

Library Standards: Evidence of Library Effectiveness and Accreditation.

Science.gov (United States)

Ebbinghouse, Carol

1999-01-01

Discusses accreditation standards for libraries based on experiences in an academic law library. Highlights include the accreditation process; the impact of distance education and remote technologies on accreditation; and a list of Internet sources of standards and information. (LRW)

Female Public Library Patrons Value the Library for Services, Programs, and Technology. A Review of: Fidishun, Dolores. “Women and the Public Library: Using Technology, Using the Library.” Library Trends 56.2 (2007: 328-43.

Directory of Open Access Journals (Sweden)

Virginia Wilson

2009-03-01

Full Text Available Objective – This study attempts to give insight into why and how women use the public library and information technology, and how they learned to use the technology.Design – Qualitative survey.Setting – The research took place at the Chester County Library in Exton, Pennsylvania, USA.Subjects – One hundred and eighty-four female library patrons 18 years and older.Methods – An anonymous qualitative survey was handed out to all patrons at the ChesterCounty Library 18 years of age and older who came into the library on four separate days and times. Times were chosen to obtain a good representation of library patrons, and included daytime, evening, and weekend hours. The survey consisted of questions about library use, information sought, information seeking behaviour, technology used, and how the respondents learned to use the technology. The surveys were collated and spreadsheets were created that reported answers to yes/no and other data questions. Word documents facilitated the listing of more qualitative answers. The data were analyzed using a thematic content analysis to find themes and patterns that emerged to create grounded theory. In thematic content analysis, “the coding scheme is based on categories designed to capture the dominant themes in a text (Franzosi 184. There is no universal coding scheme, and this method requires extensive pre-testing of the scheme (Franzosi 184. Grounded theory “uses a prescribed set of procedures for analyzing data and constructing a theoretical model” from the data (Leedy and Ormrod 154.Main Results – The survey asked questions about library use, reasons for library use, using technology, finding information, and learning to use online resources. A total of 465 surveys were distributed and 329 were returned. From the surveys returned, 184 were from female patrons, 127 from male patrons, and 18 did not report gender. The data for this article are primarily taken from the 184 female

Library Assessment Research: A Content Comparison from Three American Library Journals

Directory of Open Access Journals (Sweden)

Ethan J. Allen

2018-03-01

Full Text Available Improvement of academic library services as an outcome of continuous assessment is an aim of libraries of higher education institutions. Academic libraries are realizing the need to document evidence of their value to the institutions and the patrons they serve. Publications that include assessment research are reaching library decision makers, who seek to apply evidence to improve services or implement best practices that benefit all stakeholders. Following two previous studies that reported longitudinally on front-line library services, this paper investigates current five-year trending of three prestigious academic library journals in the publication of assessment studies. Data for this study were drawn through a content analysis process, in which the investigators selected studies for inclusion using a set of criteria developed in a pilot exercise. After individually examining 649 research articles, published between 2012 and 2016, 126 met the study’s selection criteria and were categorized according to the type of service they studied. Papers on information literacy instruction dominated, while reference services, technology, and general assessment studies saw less representation in the three journals. This finding reflects the priority placed upon information literacy instruction and describes how three American library journals are responding to current trends across academic libraries.

The alternative library

OpenAIRE

Collinson, Timothy; Williams, A.

2004-01-01

Much time and effort has been devoted to designing and developing library Web sites that are easy to navigate by both new students and experienced researchers. In a review of the Southampton Institute Library it was decided that in addition to updating the existing homepage an alternative would be offered. Drawing on theory relating to user interface design, learning styles and creative thinking, an Alternative Library navigation system was added to the more traditional library homepage. The ...

Breaking New Ground: The Case for Seed Libraries in the Academic Library

Science.gov (United States)

Ingalls, Dana

2017-01-01

Seed libraries are a relatively new innovation in the library field, offering seeds, gardening information, and the opportunity for community and ecological engagement to members. While they are increasingly popular in public libraries, they have not yet established a foothold in academic libraries. This paper defines the nature and role of seed…

Non-targeted screening for contaminants in paper and board food-contact materials using effect-directed analysis and accurate mass spectrometry.

Science.gov (United States)

Bengtström, Linda; Rosenmai, Anna Kjerstine; Trier, Xenia; Jensen, Lisbeth Krüger; Granby, Kit; Vinggaard, Anne Marie; Driffield, Malcolm; Højslev Petersen, Jens

2016-06-01

Due to large knowledge gaps in chemical composition and toxicological data for substances involved, paper and board food-contact materials (P&B FCM) have been emerging as a FCM type of particular concern for consumer safety. This study describes the development of a step-by-step strategy, including extraction, high-performance liquid chromatography (HPLC) fractionation, tentative identification of relevant substances and in vitro testing of selected tentatively identified substances. As a case study, we used two fractions from a recycled pizza box sample which exhibited aryl hydrocarbon receptor (AhR) activity. These fractions were analysed by gas chromatography (GC) and ultra-HPLC (UHPLC) coupled to quadrupole time-of-flight mass spectrometers (QTOF MS) in order tentatively to identify substances. The elemental composition was determined for peaks above a threshold, and compared with entries in a commercial mass spectral library for GC-MS (GC-EI-QTOF MS) analysis and an in-house built library of accurate masses for substances known to be used in P&B packaging for UHPLC-QTOF analysis. Of 75 tentatively identified substances, 15 were initially selected for further testing in vitro; however, only seven were commercially available and subsequently tested in vitro and quantified. Of these seven, the identities of three pigments found in printing inks were confirmed by UHPLC tandem mass spectrometry (QqQ MS/MS). Two pigments had entries in the database, meaning that a material relevant accurate mass database can provide a fast tentative identification. Pure standards of the seven tentatively identified substances were tested in vitro but could not explain a significant proportion of the AhR-response in the extract. Targeted analyses of dioxins and PCBs, both well-known AhR agonists, was performed. However, the dioxins could explain approximately 3% of the activity observed in the pizza box extract indicating that some very AhR active substance(s) still remain to be

NOAA Miami Regional Library > Home

Science.gov (United States)

Library Collections Open Access Resources Research Tools E-resources NOAA S. and NOAA N.E. Library Institutional Repository DIVE INTO About the Library | Collections | Research Tools | Library Services & NOAA Miami Regional Library @ AOML & NHC NOAA Miami Regional Library at National Hurricane

Library Feminism and Library Women's History: Activism and Scholarship, Equity and Culture.

Science.gov (United States)

Hildenbrand, Suzanne

2000-01-01

Discusses the development of library women's history in the context of library feminism and American history. Considers the aftermath of World War II and the Cold War and suggests that the earlier equity or fairness orientation is today challenged by a cultural orientation in both library feminism and library women's history. (Contains 70…

Status of the Monte Carlo library least-squares (MCLLS) approach for non-linear radiation analyzer problems

Science.gov (United States)

Gardner, Robin P.; Xu, Libai

2009-10-01

The Center for Engineering Applications of Radioisotopes (CEAR) has been working for over a decade on the Monte Carlo library least-squares (MCLLS) approach for treating non-linear radiation analyzer problems including: (1) prompt gamma-ray neutron activation analysis (PGNAA) for bulk analysis, (2) energy-dispersive X-ray fluorescence (EDXRF) analyzers, and (3) carbon/oxygen tool analysis in oil well logging. This approach essentially consists of using Monte Carlo simulation to generate the libraries of all the elements to be analyzed plus any other required background libraries. These libraries are then used in the linear library least-squares (LLS) approach with unknown sample spectra to analyze for all elements in the sample. Iterations of this are used until the LLS values agree with the composition used to generate the libraries. The current status of the methods (and topics) necessary to implement the MCLLS approach is reported. This includes: (1) the Monte Carlo codes such as CEARXRF, CEARCPG, and CEARCO for forward generation of the necessary elemental library spectra for the LLS calculation for X-ray fluorescence, neutron capture prompt gamma-ray analyzers, and carbon/oxygen tools; (2) the correction of spectral pulse pile-up (PPU) distortion by Monte Carlo simulation with the code CEARIPPU; (3) generation of detector response functions (DRF) for detectors with linear and non-linear responses for Monte Carlo simulation of pulse-height spectra; and (4) the use of the differential operator (DO) technique to make the necessary iterations for non-linear responses practical. In addition to commonly analyzed single spectra, coincidence spectra or even two-dimensional (2-D) coincidence spectra can also be used in the MCLLS approach and may provide more accurate results.

Intelligent Libraries and Apomediators: Distinguishing between Library 3.0 and Library 2.0

Science.gov (United States)

Kwanya, Tom; Stilwell, Christine; Underwood, Peter G.

2013-01-01

Using the "point oh" naming system for developments in librarianship is attracting debate about its appropriateness, basis and syntax and the meaning and potential of Library 2.0. Now a new term, Library 3.0, has emerged. Is there is any significant difference between the two models? Using documentary analysis to explore the terms, the…

Evaluation of spectral libraries and sample preparation for DIA-LC-MS analysis of host cell proteins: A case study of a bacterially expressed recombinant biopharmaceutical protein.

Science.gov (United States)

Heissel, Søren; Bunkenborg, Jakob; Kristiansen, Max Per; Holmbjerg, Anne Fich; Grimstrup, Marie; Mørtz, Ejvind; Kofoed, Thomas; Højrup, Peter

2018-07-01

Recombinantly expressed biopharmaceutical proteins often undergo a series of purification steps with the aim of removing contaminating material. Depending on the application of the protein, there are various requirements for the degree of purity, but host cell proteins (HCPs) will in general remain in small amounts. LC-MS has emerged as an orthogonal technique, capable of providing detailed information regarding the individual proteins. The aim of this case study was to characterize the HCPs associated with a biopharmaceutical protein, provided by Statens Serum Institut (DK), which is used in the field of tuberculosis and has not previously been studied by LC-MS. The developed method and acquired experiences served to develop a generalized strategy for HCP-characterization in our laboratory. We evaluated the use of different spectral libraries, recorded in data-dependent mode for obtaining the highest HCP coverage, combined with SWATH-based absolute quantification. The accuracy of two label-free absolute quantification strategies was evaluated using stable isotope peptides. Two different sample preparation workflows were evaluated for optimal HCP yield. . The label-free strategy produced accurate quantification across several orders of magnitude, and the calculated purity was found to be in agreement with previously obtained ELISA data. Copyright © 2018 Elsevier Inc. All rights reserved.

The Personal Virtual Library

CERN Document Server

Le Meur, Jean-Yves

1998-01-01

Looking for "library" in the usual search engines of the World Wide Web gives: "Infoseek found 3,593,126 pages containing the word library" and it nicely proposes: "Search only within these 3,59 3,126 pages ?" "Yahoo! Found 1299 categories and 8669 sites for library" "LycOs: 1-10 von 512354 relevanten Ergebnissen" "AltaVista: About 14830527 documents match your query" and at the botto m: "Word count: library: 15466897" ! Excite: Top 10 matches and it does not say how many can be browsed... "Library" on the World Wide Web is really popular. At least fiveteen million pages ar e supposed to contain this word. Half of them may have disappeared by now but one more hit will be added once the search robots will have indexed this document ! The notion of Personal Library i s a modest attempt, in a small environment like a library, to give poor users lost in cyber-libraries the opportunity to keep their own private little shelves - virtually. In this paper, we will l ook at the usual functionalities of library systems...

Co-Registered In Situ Secondary Electron and Mass Spectral Imaging on the Helium Ion Microscope Demonstrated Using Lithium Titanate and Magnesium Oxide Nanoparticles.

Science.gov (United States)

Dowsett, D; Wirtz, T

2017-09-05

The development of a high resolution elemental imaging platform combining coregistered secondary ion mass spectrometry and high resolution secondary electron imaging is reported. The basic instrument setup and operation are discussed and in situ image correlation is demonstrated on a lithium titanate and magnesium oxide nanoparticle mixture. The instrument uses both helium and neon ion beams generated by a gas field ion source to irradiate the sample. Both secondary electrons and secondary ions may be detected. Secondary ion mass spectrometry (SIMS) is performed using an in-house developed double focusing magnetic sector spectrometer with parallel detection. Spatial resolutions of 10 nm have been obtained in SIMS mode. Both the secondary electron and SIMS image data are very surface sensitive and have approximately the same information depth. While the spatial resolutions are approximately a factor of 10 different, switching between the different images modes may be done in situ and extremely rapidly, allowing for simple imaging of the same region of interest and excellent coregistration of data sets. The ability to correlate mass spectral images on the 10 nm scale with secondary electron images on the nanometer scale in situ has the potential to provide a step change in our understanding of nanoscale phenomena in fields from materials science to life science.

LipidMatch: an automated workflow for rule-based lipid identification using untargeted high-resolution tandem mass spectrometry data.

Science.gov (United States)

Koelmel, Jeremy P; Kroeger, Nicholas M; Ulmer, Candice Z; Bowden, John A; Patterson, Rainey E; Cochran, Jason A; Beecher, Christopher W W; Garrett, Timothy J; Yost, Richard A

2017-07-10

Lipids are ubiquitous and serve numerous biological functions; thus lipids have been shown to have great potential as candidates for elucidating biomarkers and pathway perturbations associated with disease. Methods expanding coverage of the lipidome increase the likelihood of biomarker discovery and could lead to more comprehensive understanding of disease etiology. We introduce LipidMatch, an R-based tool for lipid identification for liquid chromatography tandem mass spectrometry workflows. LipidMatch currently has over 250,000 lipid species spanning 56 lipid types contained in in silico fragmentation libraries. Unique fragmentation libraries, compared to other open source software, include oxidized lipids, bile acids, sphingosines, and previously uncharacterized adducts, including ammoniated cardiolipins. LipidMatch uses rule-based identification. For each lipid type, the user can select which fragments must be observed for identification. Rule-based identification allows for correct annotation of lipids based on the fragments observed, unlike typical identification based solely on spectral similarity scores, where over-reporting structural details that are not conferred by fragmentation data is common. Another unique feature of LipidMatch is ranking lipid identifications for a given feature by the sum of fragment intensities. For each lipid candidate, the intensities of experimental fragments with exact mass matches to expected in silico fragments are summed. The lipid identifications with the greatest summed intensity using this ranking algorithm were comparable to other lipid identification software annotations, MS-DIAL and Greazy. For example, for features with identifications from all 3 software, 92% of LipidMatch identifications by fatty acyl constituents were corroborated by at least one other software in positive mode and 98% in negative ion mode. LipidMatch allows users to annotate lipids across a wide range of high resolution tandem mass spectrometry

Piecewise spectrally band-pass for compressive coded aperture spectral imaging

International Nuclear Information System (INIS)

Qian Lu-Lu; Lü Qun-Bo; Huang Min; Xiang Li-Bin

2015-01-01

Coded aperture snapshot spectral imaging (CASSI) has been discussed in recent years. It has the remarkable advantages of high optical throughput, snapshot imaging, etc. The entire spatial-spectral data-cube can be reconstructed with just a single two-dimensional (2D) compressive sensing measurement. On the other hand, for less spectrally sparse scenes, the insufficiency of sparse sampling and aliasing in spatial-spectral images reduce the accuracy of reconstructed three-dimensional (3D) spectral cube. To solve this problem, this paper extends the improved CASSI. A band-pass filter array is mounted on the coded mask, and then the first image plane is divided into some continuous spectral sub-band areas. The entire 3D spectral cube could be captured by the relative movement between the object and the instrument. The principle analysis and imaging simulation are presented. Compared with peak signal-to-noise ratio (PSNR) and the information entropy of the reconstructed images at different numbers of spectral sub-band areas, the reconstructed 3D spectral cube reveals an observable improvement in the reconstruction fidelity, with an increase in the number of the sub-bands and a simultaneous decrease in the number of spectral channels of each sub-band. (paper)

The Development of E-Library at Delta State University Library, Abraka

African Journals Online (AJOL)

The study is on the automation of Delta University Library Abraka. The processes involved in the acquisition of information communication technology equipments to complement the traditional Library Services were stated. Major issues discussed include acquisition of computers hardware and library software, telephone ...

Merchandising Your Library.

Science.gov (United States)

Sivulich, Kenneth G.

1989-01-01

Discusses library circulation figures as a reflection of the success of library services and describes merchandising techniques that have produced a 137 percent circulation increase at Queens Borough Public Library over the past seven years. Merchandising techniques such as minibranches, displays, signage, dumps, and modified shelving are…

The National electronic library a guide to the future for library managers

CERN Document Server

1996-01-01

The National Information Infrastructure will bring information to the doorstep of every household. Librarianship must respond to this development through the National Electronic Library. Librarianship as a profession must set the information agenda if it is to be a viable and influential entity in the electronic environment. Traditional library services are being redefined by technology, and the concept of the National Electronic Library must combine the roles of the academic institution, public enterprise, and library education. This professional reference is a guide to assist librarians in planning for the future.||The volume maintains that the growing electronic environment is driving a cultural transformation in which libraries must examine and understand what libraries have been, what they are, and what they need to be. Libraries need to participate actively in this transformation in order to remain the central providers of information and related services. The book explores the National Electronic Libra...

News from the Library: Celebrating 20 years of "Library Science Talks"

CERN Multimedia

CERN Library

2014-01-01

The CERN Library (GS-SIS Group) is promoting activities and initiatives to foster better communication and closer cooperation amongst international librarians and information specialists in the Geneva - Lausanne area.   Great changes that have occurred in the world of information during the last two decades. For this reason, the CERN Library, in cooperation with the Swiss National Library and the Association of International Librarians and Information Specialists (AILIS), sponsors a programme of "Library Science Talks", which consists of six presentations per year given by internationally recognised specialists in the field, providing an opportunity to learn about the trends in our profession. This series of talks was launched in 1995 by Corrado Pettenati, CERN Head Librarian at that time. The idea was that CERN Library staff would benefit from hearing about current projects and products and could then apply some of the ideas to the library. This initiative was&...

DANCING DROPS ON THE WATER WITH AIKIDO ELEMENTS OR DEVELOPMENT OF LIBRARY PUBLISHING IN UNIVERSITIES OF UKRAINE

Directory of Open Access Journals (Sweden)

Т. О. Колесникова

2017-10-01

Full Text Available Libraries, which are engaged in digital publishing, the author compares with the drops dancing on the unstable surface of water. As if using the aikido philosophy, libraries redirect negative, aggressive energy of hostile influence to their own advantage and create a dance harmony of movements – the Library Publishing project. The article considered the Library Publishing activities of the university libraries of the world. The libraries of Ukrainian universities, basing their own publishing strategies and services on the experience of their foreign colleagues, are rapidly increasing the potential for mass implementation of the digital library publishing in their activities. In the author’s opinion, it is publishing services based on digital models and open access resources that can provide real help of the libraries to their universities in the conditions of economic crisis and military operations in the East of Ukraine. It is proved that the university libraries ofUkrainehave been demonstrating extreme activity in the provision of library publishing services during 2014–2017. According to preliminary general results of the all-Ukrainian research «Library Publishing Services in the Universities of Ukraine» (May–June 2017; 111 responding libraries, the library publishing services for today are: a separate activity – 23.4 % of libraries; b separate services – 30.6 %; c not practiced, but planned – 36 %; d neither practiced nor planned – about 10 %. The Library Publishing philosophy interpretation is provided.

Galaxy Clusters: Substructure and Mass Systematics

Science.gov (United States)

Zhang, Yu-Ying

2010-07-01

We calibrate the X-ray measured hydrostatic equilibrium (H.E.) mass and assess the origin of the H.E. mass systematics using 2-D spectrally measured X-ray properties. We obtained that the average X-ray mass derived from H.E. using XMM-Newton data is lower compared to the weak lensing mass from Subaru data for relaxed clusters in a sample of 12 clusters at z~0.2. This is comparable to the expectation of numerical simulations because of the non-thermal pressure support due to turbulence and bulk motions. The gas mass to weak lensing mass ratio shows no dependence on the cluster morphology, which indicates that the gas mass may be a good mass proxy regardless of the cluster dynamical state. To understand the origin of the systematics of the H.E. mass, we investigated 4 nearby clusters, for which the substructure is quantified by the radial fluctuations in the spectrally measured 2-D maps by a cumulative/differential scatter profile relative to the mean profile within/at a given radius. The amplitude of and the discontinuity in the scatter complements 2-D substructure diagnostics, e.g. indicating the most disturbed radial range. There is a tantalizing link between the substructure identified using the scatter of the entropy and pressure fluctuations and the deviation of the H.E. mass relative to the expected mass based on the representative scaling relation, e.g., M-Mgas, particularly at r500-the radius within which the over-density, Δ, is 500 with respect to the critical density. This indicates that at larger radii, the systematic error of the H.E. mass may well be caused by substructure.

A STELLAR-MASS-DEPENDENT DROP IN PLANET OCCURRENCE RATES

International Nuclear Information System (INIS)

Mulders, Gijs D.; Pascucci, Ilaria; Apai, Dániel

2015-01-01

The Kepler spacecraft has discovered a large number of planets with up to one-year periods and down to terrestrial sizes. While the majority of the target stars are main-sequence dwarfs of spectral type F, G, and K, Kepler covers stars with effective temperatures as low as 2500 K, which corresponds to M stars. These cooler stars allow characterization of small planets near the habitable zone, yet it is not clear if this population is representative of that around FGK stars. In this paper, we calculate the occurrence of planets around stars of different spectral types as a function of planet radius and distance from the star and show that they are significantly different from each other. We further identify two trends. First, the occurrence of Earth- to Neptune-sized planets (1-4 R ⊕ ) is successively higher toward later spectral types at all orbital periods probed by Kepler; planets around M stars occur twice as frequently as around G stars, and thrice as frequently as around F stars. Second, a drop in planet occurrence is evident at all spectral types inward of a ∼10 day orbital period, with a plateau further out. By assigning to each spectral type a median stellar mass, we show that the distance from the star where this drop occurs is stellar mass dependent, and scales with semi-major axis as the cube root of stellar mass. By comparing different mechanisms of planet formation, trapping, and destruction, we find that this scaling best matches the location of the pre-main-sequence co-rotation radius, indicating efficient trapping of migrating planets or planetary building blocks close to the star. These results demonstrate the stellar-mass dependence of the planet population, both in terms of occurrence rate and of orbital distribution. The prominent stellar-mass dependence of the inner boundary of the planet population shows that the formation or migration of planets is sensitive to the stellar parameters

Social Science Libraries Section. Special Libraries Division. Papers.

Science.gov (United States)

International Federation of Library Associations, The Hague (Netherlands).

Three papers on the nonconventional literature and social science libraries were presented at the 1983 International Federation of Library Associations (IFLA) conference. In "Grey Material: A Scandinavian View," Birgitta Bergdahl (Sweden) outlines the etymology and meaning of the concept of "grey literature" (which can include…

Special Libraries and Multitype Networks.

Science.gov (United States)

Segal, JoAn S.

1989-01-01

Describes the history of multitype library networks; examines the reasons why special libraries and other network participants have resisted the inclusion of special libraries in these networks; and discusses the benefits to both special libraries and to other libraries in the network that would result from special library participation. (17…

Growing Competition for Libraries.

Science.gov (United States)

Gibbons, Susan

2001-01-01

Describes the Questia subscription-based online academic digital books library. Highlights include weaknesses of the collection; what college students want from a library; importance of marketing; competition for traditional academic libraries that may help improve library services; and the ability of Questia to overcome barriers and…

Automating the Small Library.

Science.gov (United States)

Skapura, Robert

1987-01-01

Discusses the use of microcomputers for automating school libraries, both for entire systems and for specific library tasks. Highlights include available library management software, newsletters that evaluate software, constructing an evaluation matrix, steps to consider in library automation, and a brief discussion of computerized card catalogs.…

ULTRAVIOLET RAMAN SPECTRAL SIGNATURE ACQUISITION: UV RAMAN SPECTRAL FINGERPRINTS.

Energy Technology Data Exchange (ETDEWEB)

SEDLACEK,III, A.J.FINFROCK,C.

2002-09-01

As a member of the science-support part of the ITT-lead LISA development program, BNL is tasked with the acquisition of UV Raman spectral fingerprints and associated scattering cross-sections for those chemicals-of-interest to the program's sponsor. In support of this role, the present report contains the first installment of UV Raman spectral fingerprint data on the initial subset of chemicals. Because of the unique nature associated with the acquisition of spectral fingerprints for use in spectral pattern matching algorithms (i.e., CLS, PLS, ANN) great care has been undertaken to maximize the signal-to-noise and to minimize unnecessary spectral subtractions, in an effort to provide the highest quality spectral fingerprints. This report is divided into 4 sections. The first is an Experimental section that outlines how the Raman spectra are performed. This is then followed by a section on Sample Handling. Following this, the spectral fingerprints are presented in the Results section where the data reduction process is outlined. Finally, a Photographs section is included.

Flight Software Math Library

Science.gov (United States)

McComas, David

2013-01-01

The flight software (FSW) math library is a collection of reusable math components that provides typical math utilities required by spacecraft flight software. These utilities are intended to increase flight software quality reusability and maintainability by providing a set of consistent, well-documented, and tested math utilities. This library only has dependencies on ANSI C, so it is easily ported. Prior to this library, each mission typically created its own math utilities using ideas/code from previous missions. Part of the reason for this is that math libraries can be written with different strategies in areas like error handling, parameters orders, naming conventions, etc. Changing the utilities for each mission introduces risks and costs. The obvious risks and costs are that the utilities must be coded and revalidated. The hidden risks and costs arise in miscommunication between engineers. These utilities must be understood by both the flight software engineers and other subsystem engineers (primarily guidance navigation and control). The FSW math library is part of a larger goal to produce a library of reusable Guidance Navigation and Control (GN&C) FSW components. A GN&C FSW library cannot be created unless a standardized math basis is created. This library solves the standardization problem by defining a common feature set and establishing policies for the library s design. This allows the libraries to be maintained with the same strategy used in its initial development, which supports a library of reusable GN&C FSW components. The FSW math library is written for an embedded software environment in C. This places restrictions on the language features that can be used by the library. Another advantage of the FSW math library is that it can be used in the FSW as well as other environments like the GN&C analyst s simulators. This helps communication between the teams because they can use the same utilities with the same feature set and syntax.

A YOUNG PLANETARY-MASS OBJECT IN THE ρ OPH CLOUD CORE

International Nuclear Information System (INIS)

Marsh, Kenneth A.; Kirkpatrick, J. Davy; Plavchan, Peter

2010-01-01

We report the discovery of a young planetary-mass brown dwarf in the ρ Oph cloud core. The object was identified as such with the aid of a 1.5-2.4 μm low-resolution spectrum obtained using the NIRC instrument on the Keck I telescope. Based on the COND model, the observed spectrum is consistent with a reddened (A V ∼ 15-16) brown dwarf whose effective temperature is in the range 1200-1800 K. For an assumed age of 1 Myr, comparison with isochrones further constrains the temperature to ∼1400 K and suggests a mass of ∼2-3 Jupiter masses. The inferred temperature is suggestive of an early T spectral type, which is supported by spectral morphology consistent with weak methane absorption. Based on its inferred distance (∼100 pc) and the presence of overlying visual absorption, it is very likely to be a ρ Oph cluster member. In addition, given the estimated spectral type, it may be the youngest and least massive T dwarf found so far. Its existence suggests that the initial mass function for the ρ Oph star-forming region extends well into the planetary-mass regime.

Construction and characterization of a yeast artificial chromosome library containing seven haploid human genome equivalents

International Nuclear Information System (INIS)

Albertsen, H.M.; Abderrahim, H.; Cann, H.M.; Dausset, J.; Le Paslier, D.; Cohen, D.

1990-01-01

Prior to constructing a library of yeast artificial chromosomes (YACs) containing very large human DNA fragments, the authors performed a series of preliminary experiments aimed at developing a suitable protocol. They found an inverse relationship between YAC insert size and transformation efficiency. Evidence of occasional rearrangement within YAC inserts was found resulting in clonally stable internal deletions or clonally unstable size variations. A protocol was developed for preparative electrophoretic enrichment of high molecular mass human DNA fragments from partial restriction digests and ligation with the YAC vector in agarose. A YAC library has been constructed from large fragments of DNA from an Epstein-Barr virus-transformed human lymphoblastoid cell line. The library presently contains 50,000 clones, 95% of which are greater than 250 kilobase pairs in size. The mean YAC size of the library, calculated from 132 randomly isolated clones, is 430 kilobase pairs. The library thus contains the equivalent of approximately seven haploid human genomes

Planning & Urban Affairs Library Manual.

Science.gov (United States)

Knobbe, Mary L., Ed.; Lessel, Janice W., Ed.

Written especially for persons without a library degree who are operating a small urban study or planning agency library on a part-time basis. Subjects covered are: (1) library function and staff function, duties and training; (2) physical layout and equipment of library; (3) establishing and maintaining the library; (4) library administration;…

The Young L Dwarf 2MASS J11193254-1137466 Is a Planetary-mass Binary

Science.gov (United States)

Best, William M. J.; Liu, Michael C.; Dupuy, Trent J.; Magnier, Eugene A.

2017-07-01

We have discovered that the extremely red, low-gravity L7 dwarf 2MASS J11193254-1137466 is a 0.″14 (3.6 au) binary using Keck laser guide star adaptive optics imaging. 2MASS J11193254-1137466 has previously been identified as a likely member of the TW Hydrae Association (TWA). Using our updated photometric distance and proper motion, a kinematic analysis based on the BANYAN II model gives an 82% probability of TWA membership. At TWA’s 10 ± 3 Myr age and using hot-start evolutionary models, 2MASS J11193254-1137466AB is a pair of {3.7}-0.9+1.2 {M}{Jup} brown dwarfs, making it the lowest-mass binary discovered to date. We estimate an orbital period of {90}-50+80 years. One component is marginally brighter in K band but fainter in J band, making this a probable flux-reversal binary, the first discovered with such a young age. We also imaged the spectrally similar TWA L7 dwarf WISEA J114724.10-204021.3 with Keck and found no sign of binarity. Our evolutionary model-derived {T}{eff} estimate for WISEA J114724.10-204021.3 is ≈230 K higher than for 2MASS J11193254-1137466AB, at odds with the spectral similarity of the two objects. This discrepancy suggests that WISEA J114724.10-204021.3 may actually be a tight binary with masses and temperatures very similar to 2MASS J11193254-1137466AB, or further supporting the idea that near-infrared spectra of young ultracool dwarfs are shaped by factors other than temperature and gravity. 2MASS J11193254-1137466AB will be an essential benchmark for testing evolutionary and atmospheric models in the young planetary-mass regime.

The participatory public library

DEFF Research Database (Denmark)

Rasmussen, Casper Hvenegaard

2016-01-01

of theoretical approaches and practical examples to obtain a varied understanding of user participation in public libraries. Research fields outside library and information science have developed a wide range of theoretical approaches on user participation. Examples from cultural policy, museum studies......Purpose From collection to connection has been a buzzword in the library world for more than a decade. This catchy phrase indicates that users are seen not only as borrowers, but as active participants. The aim of this paper is to investigate and analyse three questions in relation to user...... participation in public libraries in a Nordic perspective. How can participation in public libraries be characterised? Why should libraries deal with user participation? What kinds of different user participation can be identified in public libraries? Design/methodology/approach The paper uses a selection...

Staff development and library services in academic libraries in ...

African Journals Online (AJOL)

Staff development and library services in academic libraries in Bayelsa and Delta States. ... Information Impact: Journal of Information and Knowledge Management ... Descriptive survey research design was used for this study, data was ...