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dc.contributor.authorEsteves, Cátia S.M.
dc.contributor.authorRedrojo, Elena M. M. de
dc.contributor.authorGarcía Manjón, José Luis 
dc.contributor.authorMoreno Horcajada, Gabriel Alfonso 
dc.contributor.authorAntunes, Filipe E.
dc.contributor.authorMontalvo García, Gemma 
dc.contributor.authorOrtega Ojeda, Fernando Ernesto
dc.date.accessioned2023-03-02T08:08:43Z
dc.date.available2023-03-02T08:08:43Z
dc.date.issued2022-07
dc.identifier.bibliographicCitationForensic Chemistry, 2022, v. 29, n. 100421, p. 1-11en
dc.identifier.issn2468-1709
dc.identifier.urihttp://hdl.handle.net/10017/55960en
dc.description.abstractMagic 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.en
dc.format.mimetypeapplication/pdfen
dc.language.isoengen
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)en
dc.rights© 2022 The Authorsen
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/en
dc.subjectHallucinogenic mushroomsen
dc.subjectFTIR-ATRen
dc.subjectOPLS-DAen
dc.subjectDrugsen
dc.titleCombining FTIR-ATR and OPLS-DA methods for magic mushrooms discriminationen
dc.typeinfo:eu-repo/semantics/articleen
dc.subject.ecienciaQuímicaes_ES
dc.subject.ecienciaChemistryen
dc.contributor.affiliationUniversidad de Alcalá. Departamento de Ciencias de la Computaciónes_ES
dc.contributor.affiliationUniversidad de Alcalá. Departamento de Ciencias de la Vidaes_ES
dc.contributor.affiliationUniversidad de Alcalá. Departamento de Química Analítica, Química Física e Ingeniería Químicaes_ES
dc.date.updated2023-03-02T08:07:29Z
dc.type.versioninfo:eu-repo/semantics/publishedVersionen
dc.identifier.doi10.1016/j.forc.2022.100421en
dc.rights.accessRightsinfo:eu-repo/semantics/openAccessen
dc.identifier.uxxiAR/0000041059en
dc.identifier.publicationtitleForensic Chemistryen
dc.identifier.publicationvolume29
dc.identifier.publicationlastpage11
dc.identifier.publicationissue100421
dc.identifier.publicationfirstpage1


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