{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,28]],"date-time":"2026-10-28T16:30:17Z","timestamp":1793205017017,"version":"4.5.0"},"reference-count":35,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,5,1]],"date-time":"2022-05-01T00:00:00Z","timestamp":1651363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Pharmaceutical and Biomedical Analysis"],"published-print":{"date-parts":[[2022,5]]},"DOI":"10.1016\/j.jpba.2022.114724","type":"journal-article","created":{"date-parts":[[2022,3,12]],"date-time":"2022-03-12T02:21:05Z","timestamp":1647051665000},"page":"114724","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":27,"special_numbering":"C","title":["NMR spectroscopy and chemometric models to detect a specific non-porcine ruminant contaminant in pharmaceutical heparin"],"prefix":"10.1016","volume":"214","author":[{"given":"Erika","family":"Colombo","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lucio","family":"Mauri","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Maria","family":"Marinozzi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Timothy R.","family":"Rudd","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Edwin A.","family":"Yates","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Davide","family":"Ballabio","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marco","family":"Guerrini","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"issue":"207","key":"10.1016\/j.jpba.2022.114724_bib1","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1007\/978-3-642-23056-1_3","article-title":"The anticoagulant and antithrombotic mechanisms of heparin","author":"Gray","year":"2012","journal-title":"Handb. Exp. Pharm."},{"issue":"6","key":"10.1016\/j.jpba.2022.114724_bib2","doi-asserted-by":"crossref","first-page":"1025","DOI":"10.3390\/molecules22061025","article-title":"From farm to pharma: an overview of industrial heparin manufacturing methods","volume":"22","author":"van der Meer","year":"2017","journal-title":"Molecules"},{"issue":"6","key":"10.1016\/j.jpba.2022.114724_bib3","doi-asserted-by":"crossref","first-page":"625","DOI":"10.1038\/nbt.3606","article-title":"The US regulatory and pharmacopeia response to the global heparin contamination crisis","volume":"34","author":"Szajek","year":"2016","journal-title":"Nat. Biotechnol."},{"issue":"6","key":"10.1016\/j.jpba.2022.114724_bib4","doi-asserted-by":"crossref","first-page":"669","DOI":"10.1038\/nbt1407","article-title":"Oversulfated chondroitin sulfate is a contaminant in heparin associated with adverse clinical events","volume":"26","author":"Guerrini","year":"2008","journal-title":"Nat. Biotechnol."},{"key":"10.1016\/j.jpba.2022.114724_bib5","doi-asserted-by":"crossref","DOI":"10.1177\/1076029619878786","article-title":"Porcine mucosal heparin shortage crisis! What are the options?","volume":"25","author":"Fareed","year":"2019","journal-title":"Clin. Appl. Thromb. Hemost."},{"key":"10.1016\/j.jpba.2022.114724_bib6","unstructured":"F.D.A. U.S. Department of Health and Human Services, Heparin for Drug and Medical Device Use: Monitoring Crude Heparin for Quality. 2022. \u3008https:\/\/www.fda.gov\/regulatory-information\/search-fda-guidance-documents\/heparin-drug-and-medical-device-use-monitoring-crude-heparin-quality\u3009 (accessed 2022\u201301-08)."},{"issue":"9","key":"10.1016\/j.jpba.2022.114724_bib7","doi-asserted-by":"crossref","first-page":"3422","DOI":"10.1021\/ac200011s","article-title":"Sensitive detection of oversulfated chondroitin sulfate in heparin sodium or crude heparin with a colorimetric microplate based assay","volume":"83","author":"Sommers","year":"2011","journal-title":"Anal. Chem."},{"issue":"4","key":"10.1016\/j.jpba.2022.114724_bib8","doi-asserted-by":"crossref","first-page":"921","DOI":"10.1016\/j.jpba.2009.10.017","article-title":"Analysis of crude heparin by (1)H NMR, capillary electrophoresis, and strong-anion-exchange-HPLC for contamination by over sulfated chondroitin sulfate","volume":"51","author":"Keire","year":"2010","journal-title":"J. Pharm. Biomed. Anal."},{"issue":"16","key":"10.1016\/j.jpba.2022.114724_bib9","doi-asserted-by":"crossref","first-page":"2988","DOI":"10.3390\/molecules24162988","article-title":"Crude heparin preparations unveil the presence of structurally diverse oversulfated contaminants","volume":"24","author":"Mendes","year":"2019","journal-title":"Molecules"},{"key":"10.1016\/j.jpba.2022.114724_bib10","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1016\/j.jpba.2015.10.001","article-title":"Structural peculiarity and antithrombin binding region profile of mucosal bovine and porcine heparins","volume":"118","author":"Naggi","year":"2016","journal-title":"J. Pharm. Biomed. Anal."},{"issue":"23","key":"10.1016\/j.jpba.2022.114724_bib11","doi-asserted-by":"crossref","first-page":"5553","DOI":"10.3390\/molecules25235553","article-title":"Specific non-reducing ends in heparins from different animal origins: building blocks analysis using reductive amination tagging by sulfanilic acid","volume":"25","author":"Mourier","year":"2020","journal-title":"Molecules"},{"issue":"6","key":"10.1016\/j.jpba.2022.114724_bib12","doi-asserted-by":"crossref","first-page":"520","DOI":"10.1177\/1076029616643822","article-title":"Analysis of heparins derived from bovine tissues and comparison to porcine intestinal heparins","volume":"22","author":"Ange","year":"2016","journal-title":"Clin. Appl. Thromb. Hemost."},{"key":"10.1016\/j.jpba.2022.114724_bib13","doi-asserted-by":"crossref","first-page":"142","DOI":"10.3389\/fmed.2019.00142","article-title":"1D and 2D-HSQC NMR: two methods to distinguish and characterize heparin from different animal and tissue sources","volume":"6","author":"Mauri","year":"2019","journal-title":"Front. Med."},{"issue":"7","key":"10.1016\/j.jpba.2022.114724_bib14","doi-asserted-by":"crossref","DOI":"10.3390\/molecules22071146","article-title":"Combining NMR spectroscopy and chemometrics to monitor structural features of crude heparin","volume":"22","author":"Mauri","year":"2017","journal-title":"Molecules"},{"issue":"7","key":"10.1016\/j.jpba.2022.114724_bib15","doi-asserted-by":"crossref","first-page":"1380","DOI":"10.1039\/c0an00834f","article-title":"Construction and use of a library of bona fide heparins employing 1H NMR and multivariate analysis","volume":"136","author":"Rudd","year":"2011","journal-title":"Analyst"},{"issue":"4\u20135","key":"10.1016\/j.jpba.2022.114724_bib16","doi-asserted-by":"crossref","first-page":"259","DOI":"10.1007\/s00216-002-1315-x","article-title":"Estimation of the composition of heparin mixtures from various origins using proton nuclear magnetic resonance and multivariate calibration methods","volume":"373","author":"Ruiz-Calero","year":"2002","journal-title":"Anal. Bioanal. Chem."},{"issue":"3","key":"10.1016\/j.jpba.2022.114724_bib17","doi-asserted-by":"crossref","first-page":"1030","DOI":"10.1021\/ac102832t","article-title":"Class modeling analysis of heparin 1H NMR spectral data using the soft independent modeling of class analogy and unequal class modeling techniques","volume":"83","author":"Zang","year":"2011","journal-title":"Anal. Chem."},{"key":"10.1016\/j.jpba.2022.114724_bib18","doi-asserted-by":"crossref","first-page":"543","DOI":"10.1016\/j.jpba.2015.08.017","article-title":"Combining 1H NMR spectroscopy and multivariate regression techniques to quantitatively determine falsification of porcine heparin with bovine species","volume":"115","author":"Monakhova","year":"2015","journal-title":"J. Pharm. Biomed. Anal."},{"key":"10.1016\/j.jpba.2022.114724_bib19","doi-asserted-by":"crossref","first-page":"114","DOI":"10.1016\/j.jpba.2017.10.020","article-title":"Authentication of animal origin of heparin and low molecular weight heparin including ovine, porcine and bovine species using 1D NMR spectroscopy and chemometric tools","volume":"149","author":"Monakhova","year":"2018","journal-title":"J. Pharm. Biomed. Anal."},{"key":"10.1016\/j.jpba.2022.114724_bib20","doi-asserted-by":"crossref","first-page":"18","DOI":"10.1016\/j.jpba.2019.05.024","article-title":"Retrospective multivariate analysis of pharmaceutical preparations using (1)H nuclear magnetic resonance (NMR) spectroscopy: example of 990 heparin samples","volume":"173","author":"Monakhova","year":"2019","journal-title":"J. Pharm. Biomed. Anal."},{"key":"10.1016\/j.jpba.2022.114724_bib21","doi-asserted-by":"crossref","first-page":"92","DOI":"10.1016\/j.jpba.2016.12.031","article-title":"Qualification of HSQC methods for quantitative composition of heparin and low molecular weight heparins","volume":"136","author":"Mauri","year":"2017","journal-title":"J. Pharm. Biomed. Anal."},{"key":"10.1016\/j.jpba.2022.114724_bib22","series-title":"R: A Language and Environment for Statistical Computing","author":"R Core Team","year":"2022"},{"issue":"9","key":"10.1016\/j.jpba.2022.114724_bib23","doi-asserted-by":"crossref","first-page":"2812","DOI":"10.1039\/C3AY41907J","article-title":"Principal component analysis","volume":"6","author":"Bro","year":"2014","journal-title":"Anal. Methods"},{"key":"10.1016\/j.jpba.2022.114724_bib24","series-title":"Discriminant Analysis and Statistical Pattern Recognition","author":"McLachlan","year":"1992"},{"issue":"3","key":"10.1016\/j.jpba.2022.114724_bib25","doi-asserted-by":"crossref","first-page":"166","DOI":"10.1002\/cem.785","article-title":"Partial least squares for discrimination","volume":"17","author":"Barker","year":"2003","journal-title":"J. Chemom."},{"issue":"2","key":"10.1016\/j.jpba.2022.114724_bib26","doi-asserted-by":"crossref","first-page":"122","DOI":"10.1016\/j.chemolab.2008.09.005","article-title":"Calculation of the reliability of classification in discriminant partial least-squares binary classification","volume":"95","author":"P\u00e9rez","year":"2009","journal-title":"Chemom. Intell. Lab. Syst."},{"issue":"5","key":"10.1016\/j.jpba.2022.114724_bib27","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1002\/cem.1397","article-title":"One-class classifiers","volume":"25","author":"Brereton","year":"2011","journal-title":"J. Chemom."},{"issue":"1","key":"10.1016\/j.jpba.2022.114724_bib28","doi-asserted-by":"crossref","first-page":"21","DOI":"10.1109\/TIT.1967.1053964","article-title":"Nearest neighbor pattern classification","volume":"13","author":"Cover","year":"1967","journal-title":"IEEE Trans. Inf. Theory"},{"issue":"11","key":"10.1016\/j.jpba.2022.114724_bib29","doi-asserted-by":"crossref","first-page":"2365","DOI":"10.1021\/acs.jcim.5b00326","article-title":"N3 and BNN: two new similarity based classification methods in comparison with other classifiers","volume":"55","author":"Todeschini","year":"2015","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.jpba.2022.114724_bib30","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/j.chemolab.2017.12.004","article-title":"Multivariate comparison of classification performance measures","volume":"174","author":"Ballabio","year":"2018","journal-title":"Chemom. Intell. Lab. Syst."},{"issue":"2","key":"10.1016\/j.jpba.2022.114724_bib31","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1016\/S0169-7439(98)00051-3","article-title":"Genetic algorithms applied to feature selection in PLS regression: how and when to use them","volume":"41","author":"Leardi","year":"1998","journal-title":"Chemom. Intell. Lab. Syst."},{"key":"10.1016\/j.jpba.2022.114724_bib32","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.chemolab.2015.10.003","article-title":"A MATLAB toolbox for principal component analysis and unsupervised exploration of data structure","volume":"149","author":"Ballabio","year":"2015","journal-title":"Chemom. Intell. Lab. Syst."},{"issue":"16","key":"10.1016\/j.jpba.2022.114724_bib33","doi-asserted-by":"crossref","first-page":"3790","DOI":"10.1039\/c3ay40582f","article-title":"Classification tools in chemistry. Part 1: linear models. PLS-DA","volume":"5","author":"Ballabio","year":"2013","journal-title":"Anal. Methods"},{"issue":"1","key":"10.1016\/j.jpba.2022.114724_bib34","doi-asserted-by":"crossref","first-page":"2679","DOI":"10.1038\/s41598-019-39093-6","article-title":"By-products of heparin production provide a diverse source of heparin-like and heparan sulfate glycosaminoglycans","volume":"9","author":"Taylor","year":"2019","journal-title":"Sci. Rep."},{"issue":"1","key":"10.1016\/j.jpba.2022.114724_bib35","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1038\/s42004-021-00506-1","article-title":"High sensitivity analysis of nanogram quantities of glycosaminoglycans using ToF-SIMS","volume":"4","author":"Hook","year":"2021","journal-title":"Commun. Chem."}],"container-title":["Journal of Pharmaceutical and Biomedical Analysis"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0731708522001455?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0731708522001455?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,9]],"date-time":"2025-10-09T09:19:28Z","timestamp":1760001568000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0731708522001455"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,5]]},"references-count":35,"alternative-id":["S0731708522001455"],"URL":"https:\/\/doi.org\/10.1016\/j.jpba.2022.114724","relation":{},"ISSN":["0731-7085"],"issn-type":[{"value":"0731-7085","type":"print"}],"subject":[],"published":{"date-parts":[[2022,5]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"NMR spectroscopy and chemometric models to detect a specific non-porcine ruminant contaminant in pharmaceutical heparin","name":"articletitle","label":"Article Title"},{"value":"Journal of Pharmaceutical and Biomedical Analysis","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jpba.2022.114724","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2022 Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"114724"}}