{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T06:14:19Z","timestamp":1786947259958,"version":"build-2736575974"},"reference-count":36,"publisher":"Wiley","issue":"6","license":[{"start":{"date-parts":[[2023,11,13]],"date-time":"2023-11-13T00:00:00Z","timestamp":1699833600000},"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":["Drug Testing and Analysis"],"published-print":{"date-parts":[[2024,6]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The dried blood spot (DBS) is a novel alternative matrix used in 2022 Beijing Winter Olympics and Paralympics. It is capable of distinguishing anabolic androgenic steroid (AAS) esters without the gas chromatography\u2013combustion\u2013isotope ratio mass spectrometry (GC\u2010C\u2010IRMS) confirmation. In this study, a method for detection of 22 anabolic steroid esters in DBS based on ultra\u2010high liquid chromatography\u2013mass spectrometry (UPLC\u2010MS) with parallel reaction monitoring (PRM) was developed and validated. Methoxylamine was used as the derivatization reagent to improve the sensibility. Specificity, limit of detection (LOD), linearity, stability, robustness, and carryover were evaluated. Steroid esters are nine testosterone esters, six nandrolone esters, five boldenone esters, methenolone enanthate, and trenbolone acetate. UV spectra were determined by HPLC. And density functional theory (DFT) calculation methods could provide theoretical UV spectra data. Three basis set of B3LYP\/6\u201031G(d), B3LYP\/6\u201031+G(d, p), and WB97XD\/6\u201031+G(d, p) were used for the geometry optimizations and TD\u2010DFT calculation. The average deviation (%RD) of B3LYP\/6\u201031+G(d) for all 44 ester oximes are less than 3.0%. This study for the first time provides a method to tentatively identify the 44 E\/Z configurations of steroid oxime products.<\/jats:p>","DOI":"10.1002\/dta.3598","type":"journal-article","created":{"date-parts":[[2023,11,13]],"date-time":"2023-11-13T23:45:33Z","timestamp":1699919133000},"page":"661-673","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Ultraviolet spectra determination and computational analysis of 44 E\/Z steroid isomers in dried blood spot"],"prefix":"10.1002","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0009-0009-3797-7011","authenticated-orcid":false,"given":"Xiya","family":"Yan","sequence":"first","affiliation":[{"name":"School of Sport Science Beijing Sport University  Beijing China"},{"name":"Beijing Anti\u2010Doping Laboratory Beijing Sport University  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Siyu","family":"Yan","sequence":"additional","affiliation":[{"name":"School of Sport Science Beijing Sport University  Beijing China"},{"name":"Beijing Anti\u2010Doping Laboratory Beijing Sport University  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0222-0010","authenticated-orcid":false,"given":"Wei","family":"Chang","sequence":"additional","affiliation":[{"name":"Beijing Anti\u2010Doping Laboratory Beijing Sport University  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chao","family":"Wen","sequence":"additional","affiliation":[{"name":"Beijing Anti\u2010Doping Laboratory Beijing Sport University  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lisi","family":"Zhang","sequence":"additional","affiliation":[{"name":"Beijing Anti\u2010Doping Laboratory Beijing Sport University  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhanliang","family":"Wang","sequence":"additional","affiliation":[{"name":"Beijing Anti\u2010Doping Laboratory Beijing Sport University  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sheng","family":"Yang","sequence":"additional","affiliation":[{"name":"Beijing Anti\u2010Doping Laboratory Beijing Sport University  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2023,11,13]]},"reference":[{"key":"e_1_2_5_2_1","doi-asserted-by":"publisher","DOI":"10.7861\/clinmedicine.12\u20103\u2010257"},{"key":"e_1_2_5_3_1","unstructured":"World Anti\u2010Doping Agency.Anti\u2010doping testing figures Montreal.2021. Accessed August 5 2023.https:\/\/www.wada-ama.org\/sites\/default\/files\/2023-01\/2021_anti-doping_testing_figures_en.pdf"},{"key":"e_1_2_5_4_1","doi-asserted-by":"publisher","DOI":"10.5694\/j.1326\u20105377.2006.tb00642.x"},{"key":"e_1_2_5_5_1","doi-asserted-by":"publisher","DOI":"10.7326\/0003\u20104819\u2010115\u20105\u2010387"},{"key":"e_1_2_5_6_1","doi-asserted-by":"publisher","DOI":"10.1056\/NEJM199607043350101"},{"key":"e_1_2_5_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jpba.2005.11.033"},{"key":"e_1_2_5_8_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules16129983"},{"key":"e_1_2_5_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/0022\u20104731(81)90041\u20108"},{"key":"e_1_2_5_10_1","first-page":"105","volume-title":"Recent Advances in Doping Analysis (6)","author":"Van Eenoo P","year":"1998"},{"key":"e_1_2_5_11_1","doi-asserted-by":"publisher","DOI":"10.1080\/17461390200072202"},{"key":"e_1_2_5_12_1","doi-asserted-by":"publisher","DOI":"10.1002\/jms.1457"},{"key":"e_1_2_5_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.steroids.2009.11.008"},{"key":"e_1_2_5_14_1","unstructured":"World Anti\u2010Doping Agency.Analysis detection of synthetic forms of prohibited substances by GC\/C\/IRMS. WADA Technical Document \u2010 TD2022IRMS Montreal.2022. Accessed August 5 2023.https:\/\/www.wada-ama.org\/sites\/default\/files\/2022-01\/td2022irms_v1.0_final_eng_0_0.pdf"},{"key":"e_1_2_5_15_1","doi-asserted-by":"publisher","DOI":"10.1002\/dta.2530"},{"key":"e_1_2_5_16_1","unstructured":"World Anti\u2010Doping Agency.Analysis dried blood spots (DBS) for doping control requirements and procedures for collection transport analytical testing and storage. WADA Technical Document \u2010 TD2023DBS Montreal.2023. Accessed August 7 2023.https:\/\/www.wada-ama.org\/sites\/default\/files\/2022-11\/td2023dbs_cleanversion.pdf"},{"key":"e_1_2_5_17_1","doi-asserted-by":"publisher","DOI":"10.4155\/bio.12.269"},{"key":"e_1_2_5_18_1","doi-asserted-by":"publisher","DOI":"10.1002\/dta.1560"},{"key":"e_1_2_5_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jpba.2014.03.013"},{"key":"e_1_2_5_20_1","doi-asserted-by":"publisher","DOI":"10.1002\/dta.3384"},{"key":"e_1_2_5_21_1","doi-asserted-by":"publisher","DOI":"10.1007\/s13659\u2010019\u20100204\u20103"},{"key":"e_1_2_5_22_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jsbmb.2011.06.006"},{"key":"e_1_2_5_23_1","doi-asserted-by":"publisher","DOI":"10.1258\/acb.2010.009171"},{"key":"e_1_2_5_24_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jpba.2020.113807"},{"key":"e_1_2_5_25_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.saa.2014.08.141"},{"key":"e_1_2_5_26_1","unstructured":"FrischM TrucksG SchlegelH et al.Gaussian 16 Gaussian Inc. Wallingford CT 2016."},{"key":"e_1_2_5_27_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00894\u2010022\u201005397\u20100"},{"key":"e_1_2_5_28_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2016.11.026"},{"key":"e_1_2_5_29_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.2222364"},{"key":"e_1_2_5_30_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jchromb.2022.123535"},{"key":"e_1_2_5_31_1","doi-asserted-by":"publisher","DOI":"10.1002\/dta.2236"},{"key":"e_1_2_5_32_1","volume-title":"Organic Chemistry","author":"McMurry J","year":"2004"},{"key":"e_1_2_5_33_1","unstructured":"World Anti\u2010Doping Agency.Analysis minimum criteria for chromatographic\u2010mass spectrometric confirmation of the identity of analytes for doping control purposes. WADA Technical Document \u2010 TD2023IDCR Montreal.2023. Accessed August 9 2023.https:\/\/www.wada-ama.org\/sites\/default\/files\/2023-02\/td2023idcrv1.1_eng_final.pdf"},{"key":"e_1_2_5_34_1","unstructured":"World Anti\u2010Doping Agency.The world anti\u2010doping code. International Standard for Laboratories (ISL) 2021 Montreal. 2021. Accessed August 11 2023.https:\/\/www.wada-ama.org\/sites\/default\/files\/resources\/files\/isl_2021.pdf"},{"key":"e_1_2_5_35_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2010.02.070"},{"key":"e_1_2_5_36_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.theochem.2010.01.006"},{"key":"e_1_2_5_37_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00894\u2010015\u20102689\u2010y"}],"container-title":["Drug Testing and Analysis"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/dta.3598","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T22:04:36Z","timestamp":1760393076000},"score":1,"resource":{"primary":{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/dta.3598"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,11,13]]},"references-count":36,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2024,6]]}},"alternative-id":["10.1002\/dta.3598"],"URL":"https:\/\/doi.org\/10.1002\/dta.3598","archive":["Portico"],"relation":{},"ISSN":["1942-7603","1942-7611"],"issn-type":[{"value":"1942-7603","type":"print"},{"value":"1942-7611","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,11,13]]},"assertion":[{"value":"2023-08-14","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-10-21","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-11-13","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}