{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,19]],"date-time":"2026-02-19T03:07:23Z","timestamp":1771470443570,"version":"3.50.1"},"reference-count":16,"publisher":"World Scientific Pub Co Pte Ltd","issue":"06","funder":[{"DOI":"10.13039\/100000086","name":"Directorate for Mathematical and Physical Sciences","doi-asserted-by":"publisher","award":["DMS-1312603"],"award-info":[{"award-number":["DMS-1312603"]}],"id":[{"id":"10.13039\/100000086","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000054","name":"National Cancer Institute","doi-asserted-by":"publisher","award":["P30 CA022453"],"award-info":[{"award-number":["P30 CA022453"]}],"id":[{"id":"10.13039\/100000054","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Bioinform. Comput. Biol."],"published-print":{"date-parts":[[2016,12]]},"abstract":"<jats:p>Comprehensive two-dimensional gas chromatography coupled with mass spectrometry (GC[Formula: see text][Formula: see text][Formula: see text]GC-MS) has been used to analyze multiple samples in a metabolomics study. However, due to some uncontrollable experimental conditions, such as the differences in temperature or pressure, matrix effects on samples and stationary phase degradation, there is always a shift of retention times in the two GC columns between samples. In order to correct the retention time shifts in GC[Formula: see text][Formula: see text][Formula: see text]GC-MS, the peak alignment is a crucial data analysis step to recognize the peaks generated by the same metabolite in different samples. Two approaches have been developed for GC[Formula: see text][Formula: see text][Formula: see text]GC-MS data alignment: profile alignment and peak matching alignment. However, these existing alignment methods are all based on a local alignment, resulting that a peak may not be correctly aligned in a dense chromatographic region where many peaks are present in a small region. False alignment will result in false discovery in the downstream statistical analysis. We, therefore, develop a global comparison-based peak alignment method using point matching algorithm (PMA-PA) for both homogeneous and heterogeneous data. The developed algorithm PMA-PA first extracts feature points (peaks) in the chromatography and then searches globally the matching peaks in the consecutive chromatography by adopting the projection of rigid and nonrigid transformation. PMA-PA is further applied to two real experimental data sets, showing that PMA-PA is a promising peak alignment algorithm for both homogenous and heterogeneous data in terms of [Formula: see text]1 score, although it uses only peak location information.<\/jats:p>","DOI":"10.1142\/s0219720016500323","type":"journal-article","created":{"date-parts":[[2016,9,9]],"date-time":"2016-09-09T07:29:29Z","timestamp":1473406169000},"page":"1650032","source":"Crossref","is-referenced-by-count":9,"title":["Global peak alignment for comprehensive two-dimensional gas chromatography mass spectrometry using point matching algorithms"],"prefix":"10.1142","volume":"14","author":[{"given":"Beichuan","family":"Deng","sequence":"first","affiliation":[{"name":"Department of Mathematics, Wayne State University, Detroit, MI, 48201, USA"}]},{"given":"Seongho","family":"Kim","sequence":"additional","affiliation":[{"name":"Biostatistics Core, Karmanos Cancer Institute, Wayne State University, Detroit, MI 48201, USA"},{"name":"Department of Oncology, School of Medicine, Wayne State University Detroit, MI 48201, USA"}]},{"given":"Hengguang","family":"LI","sequence":"additional","affiliation":[{"name":"Department of Mathematics, Wayne State University, Detroit, MI, 48201, USA"}]},{"given":"Elisabeth","family":"Heath","sequence":"additional","affiliation":[{"name":"Department of Oncology, School of Medicine, Wayne State University Detroit, MI 48201, USA"}]},{"given":"Xiang","family":"Zhang","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Louisville, Louisville, KY 46209, USA"}]}],"member":"219","published-online":{"date-parts":[[2017,1,11]]},"reference":[{"key":"S0219720016500323BIB001","doi-asserted-by":"publisher","DOI":"10.1021\/ac010656q"},{"key":"S0219720016500323BIB002","doi-asserted-by":"publisher","DOI":"10.1016\/j.chroma.2003.08.101"},{"key":"S0219720016500323BIB003","doi-asserted-by":"publisher","DOI":"10.1021\/ac0511142"},{"key":"S0219720016500323BIB004","doi-asserted-by":"publisher","DOI":"10.1021\/ac7024317"},{"key":"S0219720016500323BIB005","doi-asserted-by":"publisher","DOI":"10.1016\/j.chroma.2007.11.101"},{"key":"S0219720016500323BIB006","doi-asserted-by":"publisher","DOI":"10.1021\/ac100064b"},{"key":"S0219720016500323BIB007","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btr188"},{"key":"S0219720016500323BIB008","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-12-235"},{"key":"S0219720016500323BIB009","doi-asserted-by":"publisher","DOI":"10.1109\/34.121791"},{"key":"S0219720016500323BIB010","doi-asserted-by":"publisher","DOI":"10.1016\/S0031-3203(98)80010-1"},{"key":"S0219720016500323BIB011","doi-asserted-by":"publisher","DOI":"10.1016\/S1077-3142(03)00009-2"},{"key":"S0219720016500323BIB012","doi-asserted-by":"publisher","DOI":"10.1109\/TPAMI.2010.46"},{"key":"S0219720016500323BIB013","doi-asserted-by":"publisher","DOI":"10.1162\/neco.1995.7.2.219"},{"key":"S0219720016500323BIB014","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1111\/j.2517-6161.1977.tb01600.x","volume":"39","author":"Dempster A","year":"1977","journal-title":"J R Stat Soc B, Methodol"},{"key":"S0219720016500323BIB015","doi-asserted-by":"publisher","DOI":"10.1016\/S1361-8415(97)85008-6"},{"key":"S0219720016500323BIB016","doi-asserted-by":"publisher","DOI":"10.1023\/A:1007923522710"}],"container-title":["Journal of Bioinformatics and Computational Biology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.worldscientific.com\/doi\/pdf\/10.1142\/S0219720016500323","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,6,19]],"date-time":"2024-06-19T08:18:31Z","timestamp":1718785111000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.worldscientific.com\/doi\/abs\/10.1142\/S0219720016500323"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2016,12]]},"references-count":16,"journal-issue":{"issue":"06","published-online":{"date-parts":[[2017,1,11]]},"published-print":{"date-parts":[[2016,12]]}},"alternative-id":["10.1142\/S0219720016500323"],"URL":"https:\/\/doi.org\/10.1142\/s0219720016500323","relation":{},"ISSN":["0219-7200","1757-6334"],"issn-type":[{"value":"0219-7200","type":"print"},{"value":"1757-6334","type":"electronic"}],"subject":[],"published":{"date-parts":[[2016,12]]}}}