{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T12:52:02Z","timestamp":1788267122358,"version":"build-2803163510"},"reference-count":61,"publisher":"MDPI AG","issue":"3","license":[{"start":{"date-parts":[[2023,2,27]],"date-time":"2023-02-27T00:00:00Z","timestamp":1677456000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Ministerium f\u00fcr Innovation, Wissenschaft und Forschung des Landes Nordrhein-Westfalen, the Senatsverwaltung f\u00fcr Wirtschaft, Technologie und Forschung des Landes Berlin, the Bundesministerium f\u00fcr Bildung und Forschung","award":["57587918"],"award-info":[{"award-number":["57587918"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Metabolites"],"abstract":"<jats:p>The ability to monitor the dynamics of stem cell differentiation is a major goal for understanding biochemical evolution pathways. Automating the process of metabolic profiling using 2D NMR helps us to understand the various differentiation behaviors of stem cells, and therefore sheds light on the cellular pathways of development, and enhances our understanding of best practices for in vitro differentiation to guide cellular therapies. In this work, the dynamic evolution of adipose-tissue-derived human Mesenchymal stem cells (AT-derived hMSCs) after fourteen days of cultivation, adipocyte and osteocyte differentiation, was inspected based on 1H-1H TOCSY using machine learning. Multi-class classification in addition to the novelty detection of metabolites was established based on a control hMSC sample after four days\u2019 cultivation and we successively detected the changes of metabolites in differentiated MSCs following a set of 1H-1H TOCSY experiments. The classifiers Kernel Null Foley-Sammon Transform and Kernel Density Estimation achieved a total classification error between 0% and 3.6% and false positive and false negative rates of 0%. This approach was successfully able to automatically reveal metabolic changes that accompanied MSC cellular evolution starting from their undifferentiated status to their prolonged cultivation and differentiation into adipocytes and osteocytes using machine learning supporting the research in the field of metabolic pathways of stem cell differentiation.<\/jats:p>","DOI":"10.3390\/metabo13030352","type":"journal-article","created":{"date-parts":[[2023,2,28]],"date-time":"2023-02-28T02:28:09Z","timestamp":1677551289000},"page":"352","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Machine Learning in Automated Monitoring of Metabolic Changes Accompanying the Differentiation of Adipose-Tissue-Derived Human Mesenchymal Stem Cells Employing 1H-1H TOCSY NMR"],"prefix":"10.3390","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0941-2813","authenticated-orcid":false,"given":"Lubaba","family":"Migdadi","sequence":"first","affiliation":[{"name":"Image Analysis Group, TU Dortmund, 44227 Dortmund, Germany"},{"name":"Leibniz-Institut f\u00fcr Analytische Wissenschaften\u2014ISAS-e.V., 44139 Dortmund, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nour","family":"Sharar","sequence":"additional","affiliation":[{"name":"Leibniz-Institut f\u00fcr Analytische Wissenschaften\u2014ISAS-e.V., 44139 Dortmund, Germany"},{"name":"Cell Therapy Center, University of Jordan, Amman 11942, Jordan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6088-8783","authenticated-orcid":false,"given":"Hanan","family":"Jafar","sequence":"additional","affiliation":[{"name":"Cell Therapy Center, University of Jordan, Amman 11942, Jordan"},{"name":"Department of Anatomy and Histology, College of Medicine, University of Jordan, Amman 11942, Jordan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ahmad","family":"Telfah","sequence":"additional","affiliation":[{"name":"Leibniz-Institut f\u00fcr Analytische Wissenschaften\u2014ISAS-e.V., 44139 Dortmund, Germany"},{"name":"Nanotechnology Center, The University of Jordan, Amman 11942, Jordan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Roland","family":"Hergenr\u00f6der","sequence":"additional","affiliation":[{"name":"Leibniz-Institut f\u00fcr Analytische Wissenschaften\u2014ISAS-e.V., 44139 Dortmund, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Christian","family":"W\u00f6hler","sequence":"additional","affiliation":[{"name":"Image Analysis Group, TU Dortmund, 44227 Dortmund, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2023,2,27]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"34","DOI":"10.21037\/sci.2019.08.11","article-title":"A revealing review of mesenchymal stem cells therapy, clinical perspectives and Modification strategies","volume":"6","author":"Saeedi","year":"2019","journal-title":"Stem Cell Investig."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"855","DOI":"10.1002\/stem.3016","article-title":"Concise review: Mesenchymal stem cells: From roots to boost","volume":"37","author":"Andrzejewska","year":"2019","journal-title":"Stem Cells"},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"841","DOI":"10.2217\/rme-2018-0137","article-title":"An insight into the whole transcriptome profile of four tissue-specific human mesenchymal stem cells","volume":"14","author":"Alhattab","year":"2019","journal-title":"Regen. 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