{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,23]],"date-time":"2025-10-23T20:58:22Z","timestamp":1761253102514,"version":"3.37.3"},"reference-count":13,"publisher":"Oxford University Press (OUP)","issue":"2","license":[{"start":{"date-parts":[[2016,9,14]],"date-time":"2016-09-14T00:00:00Z","timestamp":1473811200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/about_us\/legal\/notices"}],"funder":[{"DOI":"10.13039\/501100000265","name":"Medical Research Council","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000265","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2017,1,15]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Motivation<\/jats:title>\n                  <jats:p>Labelling experiments in biology usually make use of isotopically enriched substrates, with the two most commonly employed isotopes for metabolism being 2H and 13C. At the end of the experiment some metabolites will have incorporated the labelling isotope, to a degree that depends on the metabolic turnover. In order to propose a meaningful biological interpretation, it is necessary to estimate the amount of labelling, and one possible route is to exploit the fact that MS isotopic patterns reflect the isotopic distributions.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Results<\/jats:title>\n                  <jats:p>We developed the IsotopicLabelling R package, a tool able to extract and analyze isotopic patterns from liquid chromatography-mass spectrometry (LC-MS) and gas chromatography-MS (GC-MS) data relative to labelling experiments. This package estimates the isotopic abundance of the employed stable isotope (either 2H or 13C) within a specified list of analytes.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and Implementation<\/jats:title>\n                  <jats:p>The IsotopicLabelling R package is freely available at https:\/\/github.com\/RuggeroFerrazza\/IsotopicLabelling.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Supplementary information<\/jats:title>\n                  <jats:p>Supplementary data are available at Bioinformatics online.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/btw588","type":"journal-article","created":{"date-parts":[[2016,9,16]],"date-time":"2016-09-16T00:10:35Z","timestamp":1473984635000},"page":"300-302","source":"Crossref","is-referenced-by-count":7,"title":["IsotopicLabelling: an R package for the analysis of MS isotopic patterns of labelled analytes"],"prefix":"10.1093","volume":"33","author":[{"given":"Ruggero","family":"Ferrazza","sequence":"first","affiliation":[{"name":"Bioorganic Chemistry Laboratory, Department of Physics, University of Trento, Povo (TN), Italy"},{"name":"Centre for Integrative Biology (CIBIO), University of Trento, Povo (TN), Italy"},{"name":"Department of Biochemistry, University of Cambridge, Cambridge, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Julian L","family":"Griffin","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, University of Cambridge, Cambridge, UK"},{"name":"Medical Research Council (MRC) Human Nutrition Research (HNR), Cambridge, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Graziano","family":"Guella","sequence":"additional","affiliation":[{"name":"Bioorganic Chemistry Laboratory, Department of Physics, University of Trento, Povo (TN), Italy"},{"name":"Biophysical Institute, CNR, Povo (TN), Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Pietro","family":"Franceschi","sequence":"additional","affiliation":[{"name":"Edmund Mach Foundation, Research and Innovation Centre, Computational Biology Unit, San Michele All\u2019Adige (TN), Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2016,9,14]]},"reference":[{"key":"2023020204303367300_btw588-B1","doi-asserted-by":"crossref","first-page":"543","DOI":"10.1016\/j.tibtech.2006.10.006","article-title":"Precision mapping of the metabolome","volume":"24","author":"Breitling","year":"2006","journal-title":"Trends Biotechnol"},{"key":"2023020204303367300_btw588-B2","doi-asserted-by":"crossref","first-page":"621","DOI":"10.1021\/acs.analchem.5b03628","article-title":"geoRge: a computational tool to detect the presence of stable isotope labeling in LC\/MS-based untargeted metabolomics","volume":"88","author":"Capellades","year":"2016","journal-title":"Anal. 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Rev"},{"key":"2023020204303367300_btw588-B13","doi-asserted-by":"crossref","first-page":"142","DOI":"10.3390\/metabo4020142","article-title":"Application of stable isotope-assisted metabolomics for cell metabolism studies","volume":"4","author":"You","year":"2014","journal-title":"Metabolites"}],"container-title":["Bioinformatics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/33\/2\/300\/49037193\/bioinformatics_33_2_300.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/33\/2\/300\/49037193\/bioinformatics_33_2_300.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,2,2]],"date-time":"2023-02-02T04:30:54Z","timestamp":1675312254000},"score":1,"resource":{"primary":{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article\/33\/2\/300\/2525697"}},"subtitle":[],"editor":[{"given":"Jonathan","family":"Wren","sequence":"additional","affiliation":[],"role":[{"role":"editor","vocabulary":"crossref"}]}],"short-title":[],"issued":{"date-parts":[[2016,9,14]]},"references-count":13,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2017,1,15]]}},"URL":"https:\/\/doi.org\/10.1093\/bioinformatics\/btw588","relation":{},"ISSN":["1367-4803","1367-4811"],"issn-type":[{"type":"print","value":"1367-4803"},{"type":"electronic","value":"1367-4811"}],"subject":[],"published-other":{"date-parts":[[2017,1,15]]},"published":{"date-parts":[[2016,9,14]]}}}