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Sensory profiling showed that aging enhanced sesame and aged aromas while weakening fruity and alcoholic notes. Physically, prolonged aging increased the particle size, regularized the morphology, and intensified yellowing. Gas chromatography\u2013olfactometry\u2013mass spectrometry and omission tests confirmed 21 key aroma contributors to aging traits. Molecular docking demonstrated their strong binding to olfactory receptors, with longifolene exhibiting the highest affinity, suggesting that receptor binding enhances perceived aging characteristics. Crucially, statistical change-point analysis identified the third year of aging as the volatile kinetic transition point, while multidimensional sensory, physical, and chemical cross-validation highlighted 5 years as a key empirical maturation reference. The subsequent 5\u201312-year period constitutes a continuous maturation phase, where sensory complexity dynamically evolves. These findings elucidate flavor evolution mechanisms, offering practical guidance for optimizing production planning, minimizing overaging losses, and authenticating aged sesame-flavor Baijiu.<\/jats:p>","DOI":"10.1021\/acs.jafc.6c08828","type":"journal-article","created":{"date-parts":[[2026,8,19]],"date-time":"2026-08-19T15:01:33Z","timestamp":1787151693000},"page":"27218-27234","source":"Crossref","is-referenced-by-count":1,"title":["Identification of Key Aging-Related Aroma Compounds\nin Sesame-Flavor Baijiu via Chemometrics and Molecular Docking: Insights\ninto Flavor Formation Mechanisms"],"prefix":"10.1021","volume":"74","author":[{"given":"Xiaotong","family":"Lyu","sequence":"first","affiliation":[{"name":"Tianjin University of Science and Technology , , ,","place":["Tianjin, People\u2019s Republic of China, 300457"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Keen","family":"Wang","sequence":"additional","affiliation":[{"name":"Tianjin University of Science and Technology , , ,","place":["Tianjin, People\u2019s Republic of China, 300457"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Meiyi","family":"Zhou","sequence":"additional","affiliation":[{"name":"Tianjin University of Science and Technology , , ,","place":["Tianjin, People\u2019s Republic of China, 300457"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yuchen","family":"Dong","sequence":"additional","affiliation":[{"name":"Tianjin University of Science and Technology , , ,","place":["Tianjin, People\u2019s Republic of China, 300457"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6121-6786","authenticated-orcid":true,"given":"Rebecca C.","family":"Deed","sequence":"additional","affiliation":[{"name":"University of Auckland , , Private Bag 92019 , ,","place":["Auckland, New Zealand, 1142"]},{"name":"University of Auckland , , Private Bag 92019 , ,","place":["Auckland, New Zealand, 1142"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0645-1446","authenticated-orcid":true,"given":"Liangcai","family":"Lin","sequence":"additional","affiliation":[{"name":"Tianjin University of Science and Technology , , ,","place":["Tianjin, People\u2019s Republic of China, 300457"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Guoming","family":"Wang","sequence":"additional","affiliation":[{"name":"Chengde Summer Resort Group Company, Ltd. , ,","place":["Chengde, China, 067500"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yanke","family":"Li","sequence":"additional","affiliation":[{"name":"Chengde Summer Resort Group Company, Ltd. , ,","place":["Chengde, China, 067500"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Changcheng","family":"Ren","sequence":"additional","affiliation":[{"name":"Chengde Summer Resort Group Company, Ltd. , ,","place":["Chengde, China, 067500"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7342-3782","authenticated-orcid":true,"given":"Yan","family":"Zhu","sequence":"additional","affiliation":[{"name":"Chinese Academy of Sciences , , ,","place":["Tianjin, China, 300308"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chunhui","family":"Wei","sequence":"additional","affiliation":[{"name":"Sichuan University of Science and Engineering , , ,","place":["Yibin City, People\u2019s Republic of China, 644000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4926-4202","authenticated-orcid":true,"given":"Cuiying","family":"Zhang","sequence":"additional","affiliation":[{"name":"Tianjin University of Science and Technology , , ,","place":["Tianjin, People\u2019s Republic of China, 300457"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,19]]},"reference":[{"key":"2026090311504655500_cit1","doi-asserted-by":"publisher","DOI":"10.1038\/srep39671","article-title":"Characterization of Chinese liquor\naroma components during aging process and liquor age discrimination\nusing gas chromatography combined with multivariable statistics","volume":"7","author":"Xu","year":"2017","journal-title":"Sci. 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