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Combining FTIR-ATR and OPLS-DA methods for magic mushrooms discrimination
Forensic Chemistry ( IF 2.6 ) Pub Date : 2022-04-08 , DOI: 10.1016/j.forc.2022.100421
Cátia S.M. Esteves 1 , Elena M.M. de Redrojo 2 , José Luis García Manjón 2 , Gabriel Moreno 2 , Filipe E. Antunes 1 , Gemma Montalvo García 3 , Fernando E. Ortega-Ojeda 3, 4
Affiliation  

Magic mushrooms are naturally occurring fungi that are considered hallucinogenic drugs because they contain psilocybin and psilocin. These substances are controlled in almost every country in the world, so the use, possession, cultivation, and sale of magic mushrooms are prohibited in whole or in part. Despite this, the abuse of magic mushrooms continues and can put at risk the life of the consumer and society in general if the consumer behaves in an unsafe manner.

The number of mushroom species is very high, making it difficult to correctly identify them based only on physical and morphological characteristics. Therefore, there is a need to develop non-destructive mushrooms analysis methods that have less response time and higher discrimination ability. The present work used Attenuated Total Reflectance Fourier Transform Infrared (FTIR-ATR) Spectroscopy to study 64 mushroom samples from different genera including hallucinogenic, edible, and toxic species. In addition, this study used Orthogonal Partial Least Squares - Discriminant Analysis (OPLS-DA), using SIMCA chemometric software to analyse the obtained infrared (IR) spectra. The main molecular vibrations of the components of the fungus were successfully identified by IR spectroscopy. Although the specific bands corresponding to psilocybin or psilocin could not be assigned in the spectra, the regression method was able to discriminate the various species. Hallucinogenic mushrooms were well separated from other species, allowing the method to be used as an initial screening technique to determine whether or not the seized mushrooms are of forensic interest.



中文翻译:

结合 FTIR-ATR 和 OPLS-DA 方法进行神奇蘑菇鉴别

神奇蘑菇是天然存在的真菌,​​被认为是致幻药物,因为它们含有裸盖菇素和裸盖菇素。这些物质在世界上几乎每个国家都受到管制,因此全部或部分禁止使用、持有、种植和销售神奇蘑菇。尽管如此,魔法蘑菇的滥用仍在继续,如果消费者以不安全的方式行事,可能会危及消费者和整个社会的生命。

蘑菇种类的数量非常多,仅根据物理和形态特征很难正确识别它们。因此,有必要开发一种响应时间更短、判别能力更高的无损蘑菇分析方法。目前的工作使用衰减全反射傅里叶变换红外 (FTIR-ATR) 光谱来研究来自不同属的 64 个蘑菇样本,包括致幻、可食用和有毒物种。此外,本研究采用正交偏最小二乘法-判别分析(OPLS-DA),使用SIMCA化学计量软件对获得的红外(IR)光谱进行分析。通过红外光谱成功识别出真菌成分的主要分子振动。尽管无法在光谱中指定对应于psilocybin或psilocin的特定条带,但回归方法能够区分各种物种。致幻蘑菇与其他物种很好地分开,使该方法可以用作初步筛选技术,以确定缉获的蘑菇是否具有法医价值。

更新日期:2022-04-08
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