{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,21]],"date-time":"2025-10-21T16:42:57Z","timestamp":1761064977730,"version":"build-2065373602"},"reference-count":20,"publisher":"Wiley","issue":"6","license":[{"start":{"date-parts":[[2024,5,13]],"date-time":"2024-05-13T00:00:00Z","timestamp":1715558400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Phytochemical Analysis"],"published-print":{"date-parts":[[2024,8]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:sec><jats:title>Introduction<\/jats:title><jats:p>Sulfur\u2010fumigation of Paeoniae Radix Alba (PRA) could induce the chemical transformation of its bioactive component paeoniflorin into a sulfur\u2010containing derivative paeoniflorin sulfite, and thus alter the quality, bioactivities, pharmacokinetics, and toxicities of PRA. However, how sulfur\u2010fumigated PRA (S\u2010PRA) affects the quality of PRA\u2010containing complex preparations has not been intensively evaluated.<\/jats:p><\/jats:sec><jats:sec><jats:title>Objectives<\/jats:title><jats:p>We intend to evaluate the influence of S\u2010PRA on the overall quality of three kinds of Si\u2010Wu\u2010Tang (SWT) formulations, i.e., decoction (SWT\u2010D), granule (SWT\u2010G), and mixture (SWT\u2010M).<\/jats:p><\/jats:sec><jats:sec><jats:title>Material and Methods<\/jats:title><jats:p>An\u00a0UPLC\u2010DAD multi\u2010components quantification method was used to compare the transfer rates of paeoniflorin sulfite and other 10 bioactive components between S\u2010PRA\u2010containing and NS\u2010PRA\u2010containing SWT formulations. An UPLC\u2010QTOF\u2010MS\/MS\u2010based target metabolomics approach was applied to explore the differential sulfur\u2010containing derivatives in S\u2010PRA\u2010containing SWT formulations.<\/jats:p><\/jats:sec><jats:sec><jats:title>Results<\/jats:title><jats:p>The transfer rates of paeoniflorin sulfite in three S\u2010PRA\u2010containing SWT formulations were all higher than 100%. Moreover, S\u2010PRA also increased the transfer rate of 5\u2010hydroxymethylfurfural, 1,2,3,4,6\u2010<jats:italic>O<\/jats:italic>\u2010pentagalloylglucose, whereas decreased that of paeoniflorin, albiflorin, and ferulic acid in three SWT formulations. Six pinane monoterpene glucoside sulfites originally identified in S\u2010PRA, were also detectable in three S\u2010PRA\u2010containing SWT formulations. In addition, seven phenolic acid sulfites including (3Z)\u20106\u2010sulfite\u2010ligustilide, (3E)\u20106\u2010sulfite\u2010ligustilide, 6,8\u2010disulfite\u2010ligustilide, ferulic acid sulfite, neochlorogenic acid sulfite, chlorogenic acid sulfite, and angelicide sulfite (or isomer) were newly identified in these three S\u2010PRA\u2010containing formulations.<\/jats:p><\/jats:sec><jats:sec><jats:title>Conclusion<\/jats:title><jats:p>S\u2010PRA could differentially affect the transfer rate of paeoniflorin sulfite and other bioactive components during the preparation of three SWT formulations and subsequently the overall quality thereof.<\/jats:p><\/jats:sec>","DOI":"10.1002\/pca.3379","type":"journal-article","created":{"date-parts":[[2024,5,13]],"date-time":"2024-05-13T21:24:40Z","timestamp":1715635480000},"page":"1486-1495","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Integrating UPLC\u2010QTOF\u2010MS\/MS and UPLC\u2010DAD to evaluate the influence of sulfur\u2010fumigated Paeoniae Radix Alba on the overall quality of three Si\u2010Wu\u2010Tang formulations"],"prefix":"10.1002","volume":"35","author":[{"given":"Jun\u2010Jie","family":"Wang","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Analysis, Affiliated Hospital of Integrated Traditional Chinese and Western Medicine Nanjing University of Chinese Medicine  Nanjing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Cai\u2010Feng","family":"Hao","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Analysis, Affiliated Hospital of Integrated Traditional Chinese and Western Medicine Nanjing University of Chinese Medicine  Nanjing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Pei\u2010Yao","family":"Huang","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Analysis, Affiliated Hospital of Integrated Traditional Chinese and Western Medicine Nanjing University of Chinese Medicine  Nanjing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xiang\u2010Ling","family":"Qin","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Analysis, Affiliated Hospital of Integrated Traditional Chinese and Western Medicine Nanjing University of Chinese Medicine  Nanjing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shan\u2010Shan","family":"Zhou","sequence":"additional","affiliation":[{"name":"Department of Metabolomics Jiangsu Province Academy of Traditional Chinese Medicine and Jiangsu Branch of China Academy of Chinese Medical Sciences  Nanjing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jin\u2010Di","family":"Xu","sequence":"additional","affiliation":[{"name":"Department of Metabolomics Jiangsu Province Academy of Traditional Chinese Medicine and Jiangsu Branch of China Academy of Chinese Medical Sciences  Nanjing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Qian","family":"Mao","sequence":"additional","affiliation":[{"name":"Department of Metabolomics Jiangsu Province Academy of Traditional Chinese Medicine and Jiangsu Branch of China Academy of Chinese Medical Sciences  Nanjing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1354-7729","authenticated-orcid":false,"given":"Song\u2010Lin","family":"Li","sequence":"additional","affiliation":[{"name":"Department of Metabolomics Jiangsu Province Academy of Traditional Chinese Medicine and Jiangsu Branch of China Academy of Chinese Medical Sciences  Nanjing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8017-7284","authenticated-orcid":false,"given":"Ming","family":"Kong","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Analysis, Affiliated Hospital of Integrated Traditional Chinese and Western Medicine Nanjing University of Chinese Medicine  Nanjing China"},{"name":"Department of Metabolomics Jiangsu Province Academy of Traditional Chinese Medicine and Jiangsu Branch of China Academy of Chinese Medical Sciences  Nanjing China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2024,5,13]]},"reference":[{"first-page":"828 P","volume-title":"Pharmacopoeia of the People Republic of China","year":"2020","key":"e_1_2_6_2_1"},{"issue":"24","key":"e_1_2_6_3_1","first-page":"3330","article-title":"Investigation on sulfur\u2010fumigated TCM and its decoction piece of China from 2013 to 2017 and suggestions on the limit standard of sulfur dioxide residue","volume":"30","author":"Xu WY","year":"2019","journal-title":"China 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