{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T15:12:02Z","timestamp":1787065922138,"version":"build-2736575974"},"reference-count":25,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2020,11,24]],"date-time":"2020-11-24T00:00:00Z","timestamp":1606176000000},"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":[[2021,3]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>More and more events, such as the summer music festivals, are considering the possibilities for implementing on\u2010site testing of psychoactive drugs in the context of prevention and harm reduction. Although the on\u2010site identification is already implemented by plenty of drug checking services, the required rapid quantitative dosing of the composition of illicit substances is still a missing aspect for a successful harm reduction strategy at events. In this paper, an approach is presented to identify white powders as amphetamine, cocaine, ketamine or others and to estimate the purity of the amphetamine, cocaine and ketamine samples using spectroscopic techniques hyphenated with partial least squares (PLS) modelling. For identification purposes, it was observed that mid\u2010infrared spectroscopy hyphenated with PLS\u2010discriminant analysis allowed the distinction between amphetamine, cocaine, ketamine and other samples and this with a correct classification rate of 93.1% for an external test set. For quantitative estimation, near\u2010infrared spectroscopy was more performant and allowed the estimation of the dosage\/purity of the amphetamine, cocaine and ketamine samples with an error of more or less 10% w\/w. An easily applicable, practical and cost\u2010effective approach for on\u2010site characterisation of the majority of the psychoactive samples encountered in Belgian nightlife settings based on IR spectroscopy was proposed.<\/jats:p>","DOI":"10.1002\/dta.2973","type":"journal-article","created":{"date-parts":[[2020,11,16]],"date-time":"2020-11-16T12:15:35Z","timestamp":1605528935000},"page":"679-693","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":24,"title":["An infrared spectroscopic approach to characterise white powders, easily applicable in the context of drug checking, drug prevention and on\u2010site analysis"],"prefix":"10.1002","volume":"13","author":[{"given":"Eric","family":"Deconinck","sequence":"first","affiliation":[{"name":"Scientific Direction Chemical and Physical Health Risks, Service of Medicines and Health Products Sciensano  Brussels Belgium"},{"name":"RD3 Unit of Pharmacognosy, Bioanalysis and Drug Discovery, Faculty of Pharmacy Universit\u00e9 Libre de Bruxelles Campus de la Plaine  Brussels Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Camille","family":"A\u00eft\u2010Kaci","sequence":"additional","affiliation":[{"name":"Scientific Direction Chemical and Physical Health Risks, Service of Medicines and Health Products Sciensano  Brussels Belgium"},{"name":"RD3 Unit of Pharmacognosy, Bioanalysis and Drug Discovery, Faculty of Pharmacy Universit\u00e9 Libre de Bruxelles Campus de la Plaine  Brussels Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Andries","family":"Raes","sequence":"additional","affiliation":[{"name":"Scientific Direction Chemical and Physical Health Risks, Service of Medicines and Health Products Sciensano  Brussels Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Micha\u00ebl","family":"Canfyn","sequence":"additional","affiliation":[{"name":"Scientific Direction Chemical and Physical 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Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2020,11,24]]},"reference":[{"key":"e_1_2_5_2_1","doi-asserted-by":"publisher","DOI":"10.1186\/s12954-017-0179-5"},{"key":"e_1_2_5_3_1","doi-asserted-by":"publisher","DOI":"10.1111\/dar.12887"},{"key":"e_1_2_5_4_1","doi-asserted-by":"publisher","DOI":"10.1177\/0003702816638305"},{"key":"e_1_2_5_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.aca.2018.06.014"},{"key":"e_1_2_5_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.forsciint.2019.05.030"},{"key":"e_1_2_5_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.forsciint.2015.04.025"},{"key":"e_1_2_5_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0379-0738(99)00195-4"},{"key":"e_1_2_5_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0379-0738(03)00125-7"},{"key":"e_1_2_5_10_1","first-page":"169","article-title":"Screening method for rapid classification of psychoactive substances in illicit tablets using 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