基于四氢大麻酚含量的大麻油快速分类分析筛选新方法

IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Thaineh E. A. Souza, Gustavo Bertol and Poliana M Santos*, 
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引用次数: 0

摘要

本研究提出了一种新的分析方法,根据商业大麻油样品的Δ9-tetrahydrocannabinol (THC)含量进行分类,采用中红外(MIR)光谱结合机器学习算法。对204份商业大麻油样品进行了分析,四氢大麻酚浓度范围为0.0% ~ 16.6% w/w。采用偏最小二乘判别分析(PLS-DA)进行分类。基于国际监管阈值,开发了两种分类模型:模型A对THC浓度超过0.2% w/w的样品进行分类,模型B对THC浓度超过0.3% w/w的样品进行分类。两种模型均表现出良好的性能,准确率均高于88.50%。值得注意的是,与模型a相比,模型B减少了假阴性,将训练集的灵敏度(STR)值从93.75%提高到98.31%,将测试集的灵敏度(STR)值从77.27%提高到95.00%。这种方法通过消除复杂的样品制备步骤,实现简单快速的四氢大麻酚筛选,为传统的实验室方法提供了可行的替代方案。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
New Analytical Screening Method for Fast Classification of Hemp Oil Based on THC Content

This study presents a novel analytical approach for classifying commercial hemp oil samples according to their Δ9-tetrahydrocannabinol (THC) content, employing mid-infrared (MIR) spectroscopy combined with machine learning algorithms. A total of 204 commercial hemp oil samples, with THC concentrations ranging from 0.0% to 16.6% w/w, were analyzed. Partial least-squares-discriminant analysis (PLS-DA) was employed for classification purposes. Two classification models were developed based on international regulatory thresholds: model A, which classifies samples with THC concentrations exceeding 0.2% w/w, and model B, designed to classify those with THC levels above 0.3% w/w. Both models demonstrated good performance, achieving accuracy values higher than 88.50%. Notably, model B reduced false negatives, improving sensitivity (STR) values from 93.75% to 98.31% for the training set and from 77.27% to 95.00% for the test set, compared to model A. This approach offers a viable alternative to conventional laboratory methods by eliminating complex sample preparation steps and enabling simple and rapid THC screening.

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来源期刊
ACS Omega
ACS Omega Chemical Engineering-General Chemical Engineering
CiteScore
6.60
自引率
4.90%
发文量
3945
审稿时长
2.4 months
期刊介绍: ACS Omega is an open-access global publication for scientific articles that describe new findings in chemistry and interfacing areas of science, without any perceived evaluation of immediate impact.
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