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dc.rights.licenseCC BY — Creative Commons Attribution
dc.contributor.authorWang, Xiaohua
dc.contributor.authorLiu, Xinyue
dc.contributor.authorLi, Lingyun
dc.contributor.authorZhang, Fuming
dc.contributor.authorHu, Min
dc.contributor.authorRen, Fuji
dc.contributor.authorChi, Lianli
dc.contributor.authorLinhardt, Robert J.
dc.date2016
dc.date.accessioned2022-06-21T18:02:29Z
dc.date.available2022-06-21T18:02:29Z
dc.date.issued2016-12-01
dc.identifier.citationGlycCompSoft: Software for automated comparison of low molecular weight heparins using top-down LC/MS data, X. Wang, X. Liu, L. Li, F. Zhang, M. Hu, F. Ren, L. Chi, R. J. Linhardt, PlosOne, 0167727, 2016.
dc.identifier.issn19326203
dc.identifier.urihttps://hdl.handle.net/20.500.13015/5088
dc.identifier.urihttps://doi.org/10.1371/journal.pone.0167727
dc.descriptionPlosOne, 0167727
dc.descriptionNote : if this item contains full text it may be a preprint, author manuscript, or a Gold OA copy that permits redistribution with a license such as CC BY. The final version is available through the publisher’s platform.
dc.description.abstractLow 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.
dc.description.sponsorshipNational Institutes of Health
dc.languageen_US
dc.language.isoENG
dc.publisherPublic Library of Science (PLoS)
dc.relation.ispartofThe Linhardt Research Labs Online Collection
dc.relation.ispartofRensselaer Polytechnic Institute, Troy, NY
dc.relation.ispartofPLoS ONE
dc.relation.urihttps://harc.rpi.edu/
dc.rightsAttribution 3.0 United States*
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/us/*
dc.subjectBiology
dc.subjectChemistry and chemical biology
dc.subjectChemical and biological engineering
dc.subjectBiomedical engineering
dc.titleGlycCompSoft: Software for automated comparison of low molecular weight heparins using top-down LC/MS dataen_US
dc.typeArticle
dcterms.accessRightsA full text version is available in DSpace@RPI
dcterms.accessRightsOpen Access
dcterms.isPartOfJournal
dcterms.isVersionOfhttps://doi.org/10.1371/journal.pone.0167727
dc.rights.holderCC BY : this license allows reusers to distribute, remix, adapt, and build upon the material in any medium or format, so long as attribution is given to the creator. The license allows for commercial use. Credit must be given to the authors and the original work must be properly cited.
dc.creator.identifierhttps://orcid.org/0000-0003-2219-5833
dc.relation.departmentThe Linhardt Research Labs.
dc.relation.departmentThe Shirley Ann Jackson, Ph.D. Center for Biotechnology and Interdisciplinary Studies (CBIS)
rpi.description.volume11


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CC BY — Creative Commons Attribution
Except where otherwise noted, this item's license is described as CC BY — Creative Commons Attribution