Queensland Alliance for Environmental Health Sciences (QAEHS), The University of Queensland, Woollsiana, Queensland, Australia.
Queensland Alliance for Environmental Health Sciences (QAEHS), The University of Queensland, Woollsiana, Queensland, Australia; Van't Hoff Institute for Molecular Sciences (HIMS), University of Amsterdam, Netherlands.
Anal Chim Acta. 2024 Sep 8;1321:343036. doi: 10.1016/j.aca.2024.343036. Epub 2024 Jul 30.
New psychoactive substances (NPS) are of public health concern due to their sporadic proliferation and the dearth of information on toxicity when consumed. In addition to seized data from forensic and toxicology reporting, wastewater analysis serves as a complimentary tool for NPS surveillance. A method to detect 71 NPS by simple filtration followed by liquid-chromatography tandem mass spectrometry was developed to detect multiclass NPS consisting of arylcyclohexylamines, designer benzodiazepines, synthetic cannabinoids, synthetic opioids, phenethylamines, synthetic cathinones, tryptamines, and indole alkaloids.
In this work, the influential factors for electrospray ionisation were identified and optimised using the fractional factorial design and face-centred central composite design, respectively. The filtration loss during sample clean-up was assessed for all compounds. The final method was validated and applied to wastewater collected from a music festival held in Queensland in 2022. The validated method had linearity between 0.5 ng L and 5000 ng L, the limit of quantification (LOQ) ranges from 0.6 ng L to 70 ng L, precision within ±20 %, accuracy ranges from 70 % to 120 %, and matrix effect ranges from soft (0 %-20 %) to medium (20 %-50 %) for the majority of the compounds. NPS detected in the festival were 2-fluorodeschloroketamine, 7-hydroxymitragynine, mitragynine, N,N-dimethylpentylone, pentylone, phenibut, and O-desmethyltramadol.
Systematic electrospray ionisation optimisation using the design of experiment for a large method is practical and provides in-depth chemical information on studied compounds. The optimised method demonstrated the applicability of analysing samples collected from a festival in this work.
新精神活性物质（NPS）因其零星扩散以及摄入后毒性信息匮乏而引起公众健康关注。除了从法医和毒理学报告中获取的缉获数据外，废水分析还可作为 NPS 监测的补充工具。本研究开发了一种通过简单过滤后进行液相色谱串联质谱检测 71 种 NPS 的方法，用于检测包括芳基环己基胺、设计苯并二氮䓬类、合成大麻素、合成阿片类、苯乙胺类、合成卡西酮类、色胺类和吲哚生物碱类的多类 NPS。
在本工作中，分别使用部分因子设计和中心复合面设计确定和优化电喷雾离子化的影响因素。评估了所有化合物在样品净化过程中的过滤损失。最终方法经过验证并应用于 2022 年在昆士兰州举办的音乐节期间采集的废水。该验证方法在 0.5ng/L 至 5000ng/L 之间具有线性关系，定量下限（LOQ）范围为 0.6ng/L 至 70ng/L，精密度在±20%以内，准确度在 70%至 120%之间，基质效应在大多数化合物中为软（0%-20%）至中（20%-50%）。在音乐节中检测到的 NPS 包括 2-氟去氯氯胺酮、7-羟基美沙酮、美沙酮、N,N-二甲基戊基酮、戊基酮、苯丁酸和 O-去甲曲马多。
使用实验设计对大型方法进行系统的电喷雾离子化优化是切实可行的，可为研究化合物提供深入的化学信息。该优化方法证明了其在本工作中分析从音乐节采集的样品的适用性。
