使用红外光谱法对比利时市场上缉获的CBD油进行表征:基质识别和CBD测定,概念验证。

IF 2.6 3区 医学 Q2 BIOCHEMICAL RESEARCH METHODS Drug Testing and Analysis Pub Date : 2023-10-04 DOI:10.1002/dta.3583
Céline Duchateau, Caroline Stévigny, Kris De Braekeleer, Eric Deconinck
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引用次数: 0

摘要

近年来,大麻二酚(CBD)油产品的供应量有所增加。这些产品没有强制性的分析控制,导致成分和质量的不确定性。在本文中,开发了一种方法来识别油基质,并使用中红外和近红外光谱来估计此类样品中的CBD含量。根据产品标签上的信息选择不同的油,并在食品店购买,以创建具有各种基质的样品集。将这些油掺入CBD以获得CBD水平为0%至20%的样品。研究的第一部分集中在油基质的定性分析上。基于类相似的软独立建模,使用添加的油来区分不同的油基质,建立了一个分类模型。对于这两种光谱技术,灵敏度、特异性、准确度和精密度都等于100%。这些模型被用于确定缉获样品的油基质。研究的第二部分集中在CBD的定量估计上。在使用气相色谱-串联质谱法测定缉获样品中的CBD后,建立了偏最小二乘回归(PLS-R)模型,样品集中的每个基质都有一个模型。这两种技术都能够根据其矩阵对未知的油样进行分类,尽管只有很少的样品可用于评估PLS-R模型,但该方法在估计油样中CBD含量方面显然显示出了有希望的结果。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Characterization of CBD oils, seized on the Belgian market, using infrared spectroscopy: Matrix identification and CBD determination, a proof of concept

The availability of cannabidiol (CBD) oil products has increased in recent years. No analytical controls are mandatory for these products leading to uncertainties about composition and quality. In this paper, a methodology was developed to identify the oil matrix and to estimate the CBD content in such samples, using mid-infrared and near-infrared spectroscopy. Different oils were selected based on the information labeled on products and were bought in food stores in order to create a sample set with a variety of matrices. These oils were spiked with CBD to obtain samples with CBD levels from 0% to 20%. The first part of the study was focused on the qualitative analysis of the oil matrix. A classification model, based on Soft Independent Modeling of Class Analogy, was build using the spiked oils to distinguish between the different oil matrices. For both spectroscopic techniques, the sensitivity, the specificity, the accuracy and the precision were equal to 100%. These models were applied to determine the oil matrix of seized samples. The second part of the study was focused on the quantitative estimation of CBD. After determination of CBD in seized samples using gas chromatography-tandem mass spectrometry, partial least square regression (PLS-R) models were built, one for each matrix in the sample set. Both techniques were able to classify unknown oily samples according to their matrix, and although only few samples were available to evaluate the PLS-R models, the approach clearly showed promising results for the estimation of the CBD content in oil samples.

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来源期刊
Drug Testing and Analysis
Drug Testing and Analysis BIOCHEMICAL RESEARCH METHODS-CHEMISTRY, ANALYTICAL
CiteScore
5.90
自引率
24.10%
发文量
191
审稿时长
2.3 months
期刊介绍: As the incidence of drugs escalates in 21st century living, their detection and analysis have become increasingly important. Sport, the workplace, crime investigation, homeland security, the pharmaceutical industry and the environment are just some of the high profile arenas in which analytical testing has provided an important investigative tool for uncovering the presence of extraneous substances. In addition to the usual publishing fare of primary research articles, case reports and letters, Drug Testing and Analysis offers a unique combination of; ‘How to’ material such as ‘Tutorials’ and ‘Reviews’, Speculative pieces (‘Commentaries’ and ‘Perspectives'', providing a broader scientific and social context to the aspects of analytical testing), ‘Annual banned substance reviews’ (delivering a critical evaluation of the methods used in the characterization of established and newly outlawed compounds). Rather than focus on the application of a single technique, Drug Testing and Analysis employs a unique multidisciplinary approach to the field of controversial compound determination. Papers discussing chromatography, mass spectrometry, immunological approaches, 1D/2D gel electrophoresis, to name just a few select methods, are welcomed where their application is related to any of the six key topics listed below.
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