{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,29]],"date-time":"2026-08-29T04:12:10Z","timestamp":1787976730686,"version":"build-2784847793"},"reference-count":54,"publisher":"Oxford University Press (OUP)","issue":"4","license":[{"start":{"date-parts":[[2025,12,18]],"date-time":"2025-12-18T00:00:00Z","timestamp":1766016000000},"content-version":"vor","delay-in-days":336,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"},{"start":{"date-parts":[[2026,1,16]],"date-time":"2026-01-16T00:00:00Z","timestamp":1768521600000},"content-version":"am","delay-in-days":365,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2025,7,7]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Oral squamous cell carcinoma (OSCC) is frequently the outcome of oral submucous fibrosis (OSMF), a common possibly premalignant disease. In our study, a cohort of 50 patients with OSCC and OSMF, along with 50 healthy controls, was analyzed to identify significant metabolic differences between the patient and control groups through multivariate statistical analysis using NMR-based metabolomics in saliva samples. The 2D scatter plot of PC1 versus PC2 scores clearly show a distinction between the groups, with the principal component analysis (PCA) explaining 24.6% of the variance. Partial least-squares discriminant analysis (PLS-DA) demonstrated R2 and Q2 values of 0.94 and 0.90, respectively, indicating a robust model fit. A total of 20 distinct metabolites were identified, including 5 that were up-regulated and 5 that were down-regulated. Univariate ROC curve analysis identified nine salivary metabolites with AUC values exceeding 0.70, including acetone, tryptophan, 5-aminopentanoic acid, betaine, aspartic acid, ethanol, acetoacetate, adipic acid, and citrate. Notably, the distinct presence of three metabolites\u2014acetone, tryptophan, and 5-aminopentanoic acid\u2014yielded AUC values of 0.98123, 0.95358, and 0.91506, respectively. The refined statistical model was subjected to metabolic pathway analysis, revealing interconnected pathways. We were also able to predict the severity of the disease, specifically distinguishing between stage I and stage II OSCC. This differentiation was highlighted by the PCA score plot, which explained 28.6% of the variance. These results were further confirmed by PLS-DA. These insights pave the way for early diagnosis and predicting severity in patients with oral cancer, which will enable better management of the disease.<\/jats:p>\n                  <jats:p\/>","DOI":"10.1039\/d4mo00166d","type":"journal-article","created":{"date-parts":[[2025,1,16]],"date-time":"2025-01-16T02:21:16Z","timestamp":1736994076000},"page":"270-281","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["Metabolomics-based predictive biomarkers of oral cancer and its severity in human patients from North India using saliva"],"prefix":"10.1093","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0009-0006-1402-2392","authenticated-orcid":false,"given":"Rahul","family":"Yadav","sequence":"first","affiliation":[{"name":"Department of Biochemistry, Institute of Science, Banaras Hindu University a , Varanasi, 221005, Uttar Pradesh, India \u00a0 chandansingh@bhu.ac.in"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5912-9640","authenticated-orcid":false,"given":"Vyomika","family":"Bansal","sequence":"additional","affiliation":[{"name":"Oral and Maxillofacial Surgery, Faculty of Dental Sciences, Institute of Medical Sciences, Banaras Hindu University b , Varanasi, 221005, Uttar Pradesh, India \u00a0 drtiwaripreeti@gmail.com"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anamika","family":"Singh","sequence":"additional","affiliation":[{"name":"Centre of Biomedical Research, Sanjay Gandhi Post Graduate Institute of Medical Sciences (SGPGIMS) \u2013 Campus c , Lucknow-226014, Uttar Pradesh, India"},{"name":"Academy of Scientific and Innovative Research d , Ghaziabad, Uttar Pradesh, 201002, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3235-6127","authenticated-orcid":false,"given":"Neeraj","family":"Sinha","sequence":"additional","affiliation":[{"name":"Centre of Biomedical Research, Sanjay Gandhi Post Graduate Institute of Medical Sciences (SGPGIMS) \u2013 Campus c , Lucknow-226014, Uttar Pradesh, India"},{"name":"Academy of Scientific and Innovative Research d , Ghaziabad, Uttar Pradesh, 201002, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Preeti","family":"Tiwari","sequence":"additional","affiliation":[{"name":"Oral and Maxillofacial Surgery, Faculty of Dental Sciences, Institute of Medical Sciences, Banaras Hindu University b , Varanasi, 221005, Uttar Pradesh, India \u00a0 drtiwaripreeti@gmail.com"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8006-1329","authenticated-orcid":false,"given":"Chandan","family":"Singh","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, Institute of Science, Banaras Hindu University a , Varanasi, 221005, Uttar Pradesh, India \u00a0 chandansingh@bhu.ac.in"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"286","published-online":{"date-parts":[[2025,1,16]]},"reference":[{"key":"2026012914044206400_cit1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1007\/s00345-024-04949-8","volume":"42","author":"W\u00e9ber","year":"2024","journal-title":"World J. 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