{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,22]],"date-time":"2026-02-22T05:16:30Z","timestamp":1771737390470,"version":"3.50.1"},"reference-count":16,"publisher":"Public Library of Science (PLoS)","issue":"11","license":[{"start":{"date-parts":[[2021,11,30]],"date-time":"2021-11-30T00:00:00Z","timestamp":1638230400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100007048","name":"Mayo Foundation for Medical Education and Research","doi-asserted-by":"publisher","award":["deanship and professorship"],"award-info":[{"award-number":["deanship and professorship"]}],"id":[{"id":"10.13039\/100007048","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["www.plosone.org"],"crossmark-restriction":false},"short-container-title":["PLoS ONE"],"abstract":"<jats:p>Disease-related effects on hepatic metabolism can alter the composition of chemicals in the circulation and subsequently in breath. The presence of disease related alterations in exhaled volatile organic compounds could therefore provide a basis for non-invasive biomarkers of hepatic disease. This study examined the feasibility of using global volatolomic profiles from breath analysis in combination with supervised machine learning to develop signature pattern-based biomarkers for cirrhosis. Breath samples were analyzed using thermal desorption-gas chromatography-field asymmetric ion mobility spectroscopy to generate breathomic profiles. A standardized collection protocol and analysis pipeline was used to collect samples from 35 persons with cirrhosis, 4 with non-cirrhotic portal hypertension, and 11 healthy participants. Molecular features of interest were identified to determine their ability to classify cirrhosis or portal hypertension. A molecular feature score was derived that increased with the stage of cirrhosis and had an AUC of 0.78 for detection. Chromatographic breath profiles were utilized to generate machine learning-based classifiers. Algorithmic models could discriminate presence or stage of cirrhosis with a sensitivity of 88\u201392% and specificity of 75%. These results demonstrate the feasibility of volatolomic profiling to classify clinical phenotypes using global breath output. These studies will pave the way for the development of non-invasive biomarkers of liver disease based on volatolomic signatures found in breath.<\/jats:p>","DOI":"10.1371\/journal.pone.0260098","type":"journal-article","created":{"date-parts":[[2021,11,30]],"date-time":"2021-11-30T20:20:33Z","timestamp":1638303633000},"page":"e0260098","update-policy":"https:\/\/doi.org\/10.1371\/journal.pone.corrections_policy","source":"Crossref","is-referenced-by-count":8,"title":["Machine learning analysis of volatolomic profiles in breath can identify non-invasive biomarkers of liver disease: A pilot study"],"prefix":"10.1371","volume":"16","author":[{"given":"Jonathan N.","family":"Thomas","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Joanna","family":"Roopkumar","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7021-9532","authenticated-orcid":true,"given":"Tushar","family":"Patel","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"340","published-online":{"date-parts":[[2021,11,30]]},"reference":[{"key":"pone.0260098.ref001","first-page":"37","article-title":"Exhaled breath testing\u2014A tool for the clinician and researcher","author":"M.D. Davis","year":"2019","journal-title":"Paediatr Respir Rev"},{"issue":"3","key":"pone.0260098.ref002","doi-asserted-by":"crossref","first-page":"174","DOI":"10.5271\/sjweh.2159","article-title":"Breath analysis. 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A study of the stability of volatile organic compounds trapped onto a mixed Tenax: Carbograph trap adsorbent bed from exhaled breath","volume":"10","author":"S. Kang","year":"2016","journal-title":"Journal of breath research"},{"issue":"2","key":"pone.0260098.ref016","doi-asserted-by":"crossref","first-page":"026012","DOI":"10.1088\/1752-7163\/ab7b8d","article-title":"Implementation of quality controls is essential to prevent batch effects in breathomics data and allow for cross-study comparisons","volume":"14","author":"G. 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