{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,17]],"date-time":"2026-04-17T02:04:28Z","timestamp":1776391468000,"version":"3.51.2"},"reference-count":34,"publisher":"MDPI AG","issue":"10","license":[{"start":{"date-parts":[[2021,10,8]],"date-time":"2021-10-08T00:00:00Z","timestamp":1633651200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e Tecnologia","doi-asserted-by":"publisher","award":["UIDB\/00511\/2020"],"award-info":[{"award-number":["UIDB\/00511\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e Tecnologia","doi-asserted-by":"publisher","award":["POCI-01-0145-FEDER-029702"],"award-info":[{"award-number":["POCI-01-0145-FEDER-029702"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Separations"],"abstract":"<jats:p>Selectivity in separation science is defined as the extent to which a method can determine the target analyte free of interference. It is the backbone of any method and can be enhanced at various steps, including sample preparation, separation optimization and detection. Significant improvement in selectivity can also be achieved in the data analysis step with the mathematical treatment of the signals. In this manuscript, we present a new approach that uses mathematical functions to model chromatographic peaks. However, unlike classical peak fitting approaches where the fitting parameters are optimized with a single profile (one-way data), the parameters are optimized over multiple profiles (two-way data). Thus, it allows high confidence and robustness. Furthermore, an iterative approach where the number of peaks is increased at each step until convergence is developed in this manuscript. It is demonstrated with simulated and real data that this algorithm is: (1) capable of mathematically separating each component with minimal user input and (2) that the peak areas can be accurately measured even with resolution as low as 0.5 if the peak\u2019s intensities does not differ by more than a factor 10. This was conclusively demonstrated with the quantification of diterpene esters in standard mixtures.<\/jats:p>","DOI":"10.3390\/separations8100178","type":"journal-article","created":{"date-parts":[[2021,10,10]],"date-time":"2021-10-10T21:37:49Z","timestamp":1633901869000},"page":"178","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Iterative Multivariate Peaks Fitting\u2014A Robust Approach for The Analysis of Non-Baseline Resolved Chromatographic Peaks"],"prefix":"10.3390","volume":"8","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2636-6740","authenticated-orcid":false,"given":"Guillaume Laurent","family":"Erny","sequence":"first","affiliation":[{"name":"LEPABE-Laboratory for Process Engineering, Environment, Biotechnology and Energy, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal"}]},{"given":"Marzieh","family":"Moeenfard","sequence":"additional","affiliation":[{"name":"Department of Food Science and Technology, Faculty of Agriculture, Ferdowsi University of Mashhad, Mashhad 9177948944, Iran"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5090-621X","authenticated-orcid":false,"given":"Arminda","family":"Alves","sequence":"additional","affiliation":[{"name":"LEPABE-Laboratory for Process Engineering, Environment, Biotechnology and Energy, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2021,10,8]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1381","DOI":"10.1351\/pac200173081381","article-title":"Selectivity in analytical chemistry (IUPAC Recommendations 2001)","volume":"73","author":"Vessman","year":"2001","journal-title":"Pure Appl. 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