{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,30]],"date-time":"2026-08-30T00:48:51Z","timestamp":1788050931431,"version":"build-2784847793"},"reference-count":22,"publisher":"Wiley","issue":"5","license":[{"start":{"date-parts":[[2026,5,11]],"date-time":"2026-05-11T00:00:00Z","timestamp":1778457600000},"content-version":"vor","delay-in-days":10,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,5,1]],"date-time":"2026-05-01T00:00:00Z","timestamp":1777593600000},"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":["J of Separation Science"],"published-print":{"date-parts":[[2026,5]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Shenzhuo Decoction (SZT), a classical traditional Chinese medicine (TCM) formula from\n                    <jats:italic>Synopsis of the Golden Chamber<\/jats:italic>\n                    (Jinkui Yaolue), demonstrates clinical efficacy in treating ankylosing spondylitis (AS); however, its systematic chemical profiling remains insufficient. This study established an integrated strategy for chemical constituent analysis of SZT, combining iterative ultra\u2010high performance liquid chromatography coupled with quadrupole time\u2010of\u2010flight tandem\u00a0mass spectrometry (UHPLC\u2010Q\u2010TOF MS\/MS) with multidimensional data annotation. The iterative UHPLC\u2010Q\u2010TOF MS\/MS technology employed 20\u00a0eV\/40\u00a0eV dual collision energies, along with three iterative scans and a dynamic exclusion method. The multidimensional data annotation for SZT analysis was derived from an internal database containing 997 constituents, combined with Progenesis QI and SIRIUS. A total of 130 constituents were identified from SZT using the above methods. Compared with a conventional LC\u2010MS identification method (single 20\u00a0eV collision energy, no iterative scanning), the iterative strategy identified an additional 33 constituents from SZT, indicating a 34% improvement in detection sensitivity. More importantly, network pharmacology validation revealed that three of the additionally identified constituents (medicarpin, licochalcone A, and acetoxy\u2010methylisoflavone) exhibited high anti\u2010AS pharmacological activity (ranking among the top ten in the 130\u2010component scoring values of SZT), further demonstrating that constituents identified via the iterative strategy more comprehensively reflect the material basis of SZT's pharmacological effects. This strategy establishes a foundation for research into the chemical constituents of SZT and provides a reliable paradigm for complex TCM profiling.\n                  <\/jats:p>","DOI":"10.1002\/jssc.70446","type":"journal-article","created":{"date-parts":[[2026,5,12]],"date-time":"2026-05-12T05:15:18Z","timestamp":1778562918000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Systematic Analysis of Chemical Constituents in Shenzhuo Decoction Based on Iterative Ultra\u2010High Performance Liquid Chromatography Coupled With Quadrupole Time\u2010of\u2010Flight Tandem Mass Spectrometry and Multidimensional Data Annotation"],"prefix":"10.1002","volume":"49","author":[{"given":"Zhenyuan","family":"Yang","sequence":"first","affiliation":[{"name":"Guangdong Provincial Hospital of Chinese Medicine The Second Affiliated Hospital of Guangzhou University of Chinese Medicine  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dawei","family":"Zou","sequence":"additional","affiliation":[{"name":"Guangdong Provincial Hospital of Chinese Medicine The Second Affiliated Hospital of Guangzhou University of Chinese Medicine  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiaxuan","family":"Zhu","sequence":"additional","affiliation":[{"name":"Guangdong Provincial Hospital of Chinese Medicine The Second Affiliated Hospital of Guangzhou University of Chinese Medicine  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qingbao","family":"Huang","sequence":"additional","affiliation":[{"name":"Shenzhen Key Laboratory of Hospital Chinese Medicine Preparation Shenzhen Traditional Chinese Medicine Hospital The Fourth Clinical Medical College of Guangzhou University of Chinese Medicine  Shenzhen China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shuowen","family":"Liu","sequence":"additional","affiliation":[{"name":"The First Clinical College of Liaoning University of Traditional Chinese Medicine Affiliated Hospital of Liaoning University of Traditional Chinese Medicine  Shenyang China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xinxin","family":"Wang","sequence":"additional","affiliation":[{"name":"The First Clinical College of Liaoning University of Traditional Chinese Medicine Affiliated Hospital of Liaoning University of Traditional Chinese Medicine  Shenyang China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xilin","family":"He","sequence":"additional","affiliation":[{"name":"Faculty of Arts &amp; Science University of Toronto St. George Campus  Toronto Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaotong","family":"Wang","sequence":"additional","affiliation":[{"name":"The First Clinical College of Liaoning University of Traditional Chinese Medicine Affiliated Hospital of Liaoning University of Traditional Chinese Medicine  Shenyang China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yufeng","family":"Huang","sequence":"additional","affiliation":[{"name":"Guangdong Provincial Hospital of Chinese Medicine The Second Affiliated Hospital of Guangzhou University of Chinese Medicine  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fan","family":"He","sequence":"additional","affiliation":[{"name":"Guangdong Provincial Hospital of Chinese Medicine The Second Affiliated Hospital of Guangzhou University of Chinese Medicine  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,5,11]]},"reference":[{"key":"e_1_2_11_2_1","doi-asserted-by":"publisher","DOI":"10.3969\/j.issn.1003\u20108914.2021.02.019"},{"key":"e_1_2_11_3_1","doi-asserted-by":"publisher","DOI":"10.3969\/j.issn.1673\u20107202.2020.04.020"},{"key":"e_1_2_11_4_1","doi-asserted-by":"publisher","DOI":"10.3969\/j.issn.1672\u20102779.2021.14.036"},{"key":"e_1_2_11_5_1","doi-asserted-by":"publisher","DOI":"10.3969\/j.issn.1008\u20100805.2021.09.27"},{"key":"e_1_2_11_6_1","doi-asserted-by":"publisher","DOI":"10.13194\/j.issn.1673\u2010842x.2024.04.013"},{"key":"e_1_2_11_7_1","doi-asserted-by":"publisher","DOI":"10.1002\/jssc.202100028"},{"key":"e_1_2_11_8_1","doi-asserted-by":"publisher","DOI":"10.1002\/jssc.201401090"},{"key":"e_1_2_11_9_1","doi-asserted-by":"publisher","DOI":"10.1002\/jssc.202101019"},{"key":"e_1_2_11_10_1","doi-asserted-by":"publisher","DOI":"10.1002\/jssc.202200516"},{"key":"e_1_2_11_11_1","doi-asserted-by":"publisher","DOI":"10.19540\/j.cnki.cjcmm.20200904.602"},{"key":"e_1_2_11_12_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jare.2024.01.003"},{"key":"e_1_2_11_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chroma.2024.465164"},{"key":"e_1_2_11_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jchromb.2024.124029"},{"key":"e_1_2_11_15_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jchromb.2024.124259"},{"key":"e_1_2_11_16_1","doi-asserted-by":"publisher","DOI":"10.1002\/jssc.202300475"},{"key":"e_1_2_11_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chroma.2021.462764"},{"key":"e_1_2_11_18_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41592\u2010019\u20100344\u20108"},{"key":"e_1_2_11_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodres.2022.112315"},{"key":"e_1_2_11_20_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chroma.2022.463700"},{"key":"e_1_2_11_21_1","doi-asserted-by":"publisher","DOI":"10.1002\/jssc.202300615"},{"key":"e_1_2_11_22_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.intimp.2024.113825"},{"key":"e_1_2_11_23_1","doi-asserted-by":"publisher","DOI":"10.3390\/plants13030385"}],"container-title":["Journal of Separation Science"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jssc.70446","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/jssc.70446","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jssc.70446","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,7]],"date-time":"2026-07-07T20:51:40Z","timestamp":1783457500000},"score":1,"resource":{"primary":{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/jssc.70446"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,5]]},"references-count":22,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2026,5]]}},"alternative-id":["10.1002\/jssc.70446"],"URL":"https:\/\/doi.org\/10.1002\/jssc.70446","archive":["Portico"],"relation":{},"ISSN":["1615-9306","1615-9314"],"issn-type":[{"value":"1615-9306","type":"print"},{"value":"1615-9314","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,5]]},"assertion":[{"value":"2026-01-09","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-05-05","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-05-11","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e70446"}}