{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,4]],"date-time":"2026-08-04T10:48:56Z","timestamp":1785840536872,"version":"3.56.0"},"reference-count":33,"publisher":"Wiley","issue":"18","license":[{"start":{"date-parts":[[2026,6,28]],"date-time":"2026-06-28T00:00:00Z","timestamp":1782604800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"},{"start":{"date-parts":[[2026,6,28]],"date-time":"2026-06-28T00:00:00Z","timestamp":1782604800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Rapid Comm Mass Spectrometry"],"published-print":{"date-parts":[[2026,9,30]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:sec>\n                    <jats:title>Rationale<\/jats:title>\n                    <jats:p>Commercial grading of Baimudan white tea still relies largely on sensory evaluation and would benefit from a rapid, objective analytical approach. This study investigated whether PTR\u2010ToF\u2010MS volatile fingerprints combined with targeted non\u2010volatile metabolite measurements could support data\u2010driven grading of four official Baimudan grades.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Methods<\/jats:title>\n                    <jats:p>\n                      Headspace volatiles were profiled by proton\u2010transfer\u2010reaction time\u2010of\u2010flight mass spectrometry (PTR\u2010ToF\u2010MS), and non\u2010volatile metabolites were quantified by HPLC, amino acid analysis, and soluble sugar assay. A total of 120 samples (30 per grade) were divided into a training set (\n                      <jats:italic>n<\/jats:italic>\n                      \u2009=\u200996) and an independent prediction set (\n                      <jats:italic>n<\/jats:italic>\n                      \u2009=\u200924). A two\u2010stream Transformer encoded the volatile and non\u2010volatile modalities separately and fused them for four\u2010class classification.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Results<\/jats:title>\n                    <jats:p>The multimodal model achieved 95.8% accuracy (23\/24) and a macro\u2010F1 score of 0.958 on the independent prediction set, with a single misclassification between adjacent high grades. Repeated stratified five\u2010fold cross\u2010validation within the training set showed stable performance. SHAP and attention analyses indicated that high\u2010grade teas were associated with floral\/sweet volatile ions and higher amino acids and soluble sugars, whereas lower grades were associated with greener\/woody volatile ions and kaempferol\u2010related markers.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Conclusions<\/jats:title>\n                    <jats:p>Within the current dataset, integrating PTR\u2010ToF\u2010MS volatile fingerprints with targeted non\u2010volatile metabolites provides an objective and chemically interpretable approach for instrument\u2010assisted grading of Baimudan white tea.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.1002\/rcm.70122","type":"journal-article","created":{"date-parts":[[2026,6,29]],"date-time":"2026-06-29T05:50:09Z","timestamp":1782712209000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Multimodal Transformer Fusion of PTR\u2010ToF\u2010MS Volatiles and Targeted Non\u2010Volatile Metabolites Enables Data\u2010Driven Grading of Baimudan White Tea"],"prefix":"10.1002","volume":"40","author":[{"given":"Dandan","family":"Zhang","sequence":"first","affiliation":[{"name":"Department of International Tea Industry and Culture Pusan National University  Gyeongnam South Korea"},{"name":"Fujian Business University  Fuzhou Fujian China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Suk\u2010Hwan","family":"Hong","sequence":"additional","affiliation":[{"name":"Department of International Tea Industry and Culture Pusan National University  Gyeongnam South Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaojing","family":"Li","sequence":"additional","affiliation":[{"name":"College of Environment and Resources Fuzhou University  Fuzhou Fujian 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