GlycCompSoft: Software for Automated Comparison of Low Molecular Weight Heparins Using Top-Down LC/MS Data
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| Publicat a: | PLoS One vol. 11, no. 12 (Dec 2016), p. e0167727 |
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| Autor principal: | |
| Altres autors: | , , , , , , |
| Publicat: |
Public Library of Science
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| Matèries: | |
| Accés en línia: | Citation/Abstract Full Text Full Text - PDF |
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|---|---|---|---|
| 001 | 1848103727 | ||
| 003 | UK-CbPIL | ||
| 022 | |a 1932-6203 | ||
| 024 | 7 | |a 10.1371/journal.pone.0167727 |2 doi | |
| 035 | |a 1848103727 | ||
| 045 | 2 | |b d20161201 |b d20161231 | |
| 084 | |a 174835 |2 nlm | ||
| 100 | 1 | |a Wang, Xiaohua | |
| 245 | 1 | |a GlycCompSoft: Software for Automated Comparison of Low Molecular Weight Heparins Using Top-Down LC/MS Data | |
| 260 | |b Public Library of Science |c Dec 2016 | ||
| 513 | |a Journal Article | ||
| 520 | 3 | |a Low molecular weight heparins are complex polycomponent drugs that have recently become amenable to top-down analysis using liquid chromatography-mass spectrometry. Even using open source deconvolution software, DeconTools, and automatic structural assignment software, GlycReSoft, the comparison of two or more low molecular weight heparins is extremely time-consuming, taking about a week for an expert analyst and provides no guarantee of accuracy. Efficient data processing tools are required to improve analysis. This study uses the programming language of Microsoft Excel™ Visual Basic for Applications to extend its standard functionality for macro functions and specific mathematical modules for mass spectrometric data processing. The program developed enables the comparison of top-down analytical glycomics data on two or more low molecular weight heparins. The current study describes a new program, GlycCompSoft, which has a low error rate with good time efficiency in the automatic processing of large data sets. The experimental results based on three lots of Lovenox®, Clexane® and three generic enoxaparin samples show that the run time of GlycCompSoft decreases from 11 to 2 seconds when the data processed decreases from 18000 to 1500 rows. | |
| 610 | 4 | |a Boston University Rensselaer Polytechnic Institute Food & Drug Administration--FDA | |
| 651 | 4 | |a United States--US | |
| 651 | 4 | |a New York | |
| 651 | 4 | |a China | |
| 653 | |a Mass spectrometry | ||
| 653 | |a Software packages | ||
| 653 | |a Liquid chromatography | ||
| 653 | |a Data processing | ||
| 653 | |a Application programming interface | ||
| 653 | |a Bioinformatics | ||
| 653 | |a Functions (mathematics) | ||
| 653 | |a Low molecular weights | ||
| 653 | |a Ions | ||
| 653 | |a Open source software | ||
| 653 | |a Software | ||
| 653 | |a Interdisciplinary aspects | ||
| 653 | |a Scientific imaging | ||
| 653 | |a Chromatography | ||
| 653 | |a Packaging | ||
| 653 | |a Visual Basic for Applications | ||
| 653 | |a Computer programs | ||
| 653 | |a Fourier transforms | ||
| 653 | |a Analytical chemistry | ||
| 653 | |a Hypotheses | ||
| 653 | |a Automation | ||
| 653 | |a Programming languages | ||
| 653 | |a Mass spectroscopy | ||
| 653 | |a Economic | ||
| 653 | |a Molecular weight | ||
| 653 | |a Visual programming languages | ||
| 653 | |a Biotechnology | ||
| 653 | |a Proteomics | ||
| 653 | |a Heparin | ||
| 653 | |a Anticoagulants | ||
| 653 | |a Laboratories | ||
| 700 | 1 | |a Liu, Xinyue | |
| 700 | 1 | |a Li, Lingyun | |
| 700 | 1 | |a Zhang, Fuming | |
| 700 | 1 | |a Hu, Min | |
| 700 | 1 | |a Ren, Fuji | |
| 700 | 1 | |a Chi, Lianli | |
| 700 | 1 | |a Linhardt, Robert J | |
| 773 | 0 | |t PLoS One |g vol. 11, no. 12 (Dec 2016), p. e0167727 | |
| 786 | 0 | |d ProQuest |t Health & Medical Collection | |
| 856 | 4 | 1 | |3 Citation/Abstract |u https://www.proquest.com/docview/1848103727/abstract/embedded/6A8EOT78XXH2IG52?source=fedsrch |
| 856 | 4 | 0 | |3 Full Text |u https://www.proquest.com/docview/1848103727/fulltext/embedded/6A8EOT78XXH2IG52?source=fedsrch |
| 856 | 4 | 0 | |3 Full Text - PDF |u https://www.proquest.com/docview/1848103727/fulltextPDF/embedded/6A8EOT78XXH2IG52?source=fedsrch |