电化学“超级指纹”与机器学习相结合用于非法药物的现场检测。

IF 9.1 1区 化学 Q1 CHEMISTRY, ANALYTICAL
Alexandr Stratulat,Julia Mazurków,Annemarijn Steijlen,Bjoke Goyvaerts,Rien Moris,Joy Eliaerts,Natalie Meert,Karolien De Wael
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引用次数: 0

摘要

由于实际样品的复杂性和单个物质的不同检测要求,现场多药物传感仍然具有挑战性。在目前的研究中,我们提出了成功的电化学多药物检测,通过拓宽分析框架,即通过在四种不同条件下同时进行方波伏安法:pH 5、pH 7、pH 10/衍生化和pH 12,克服了这些限制。利用机器学习,即支持向量机算法与主成分分析相结合,实现了四种电化学指纹的“超级指纹”组合。该方法被应用于可卡因、海洛因、氯胺酮、安非他明、甲基苯丙胺和MDMA以及24种掺假剂/切割剂的检测。通过对六种靶向药物的街头样本的鉴定,这种新型检测技术具有非常高的特异性(~ 90%)、灵敏度(~ 93%)和准确性(~ 92%),具有稳健的分类性能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Electrochemical "Super-Fingerprinting" in Combination with Machine Learning for the On-Site Detection of Illicit Drugs.
On-site multidrug sensing remains challenging due to the complexity of real samples and the differing detection requirements of individual substances. In the current study, we present successful electrochemical multidrug detection that overcomes these limitations by broadening the analytical framework, i.e., by performing square wave voltammetry simultaneously at four different conditions: pH 5, pH 7, pH 10/derivatizing, and pH 12. The combination of the four electrochemical fingerprints into a "super-fingerprint" was achieved by employing machine learning, specifically, the support vector machines algorithm coupled with principal component analysis. The proposed methodology was applied to the detection of cocaine, heroin, ketamine, amphetamine, methamphetamine, and MDMA as well as 24 adulterants/cutting agents. The novel detection technique demonstrated robust classification performance with very high specificity (∼90%), sensitivity (∼93%), and accuracy (∼92%), confirmed through the identification of the street samples of the six target drugs.
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来源期刊
ACS Sensors
ACS Sensors Chemical Engineering-Bioengineering
CiteScore
14.50
自引率
3.40%
发文量
372
期刊介绍: ACS Sensors is a peer-reviewed research journal that focuses on the dissemination of new and original knowledge in the field of sensor science, particularly those that selectively sense chemical or biological species or processes. The journal covers a broad range of topics, including but not limited to biosensors, chemical sensors, gas sensors, intracellular sensors, single molecule sensors, cell chips, and microfluidic devices. It aims to publish articles that address conceptual advances in sensing technology applicable to various types of analytes or application papers that report on the use of existing sensing concepts in new ways or for new analytes.
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