Detection and Quantification of Alprazolam Added to Long Drinks by Near Infrared Spectroscopy and Chemometrics
In the present work, a fast, relatively cheap, and green analytical strategy to identify and quantify the fraudulent (or voluntary) addition of a drug (alprazolam, the API of Xanax<sup>®</sup>) to an alcoholic drink of large consumption, namely gin and tonic, was developed using coupling...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-09-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/19/6420 |
| _version_ | 1797477939101564928 |
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| author | Claudia Scappaticci Stella Spera Alessandra Biancolillo Federico Marini |
| author_facet | Claudia Scappaticci Stella Spera Alessandra Biancolillo Federico Marini |
| author_sort | Claudia Scappaticci |
| collection | DOAJ |
| description | In the present work, a fast, relatively cheap, and green analytical strategy to identify and quantify the fraudulent (or voluntary) addition of a drug (alprazolam, the API of Xanax<sup>®</sup>) to an alcoholic drink of large consumption, namely gin and tonic, was developed using coupling near-infrared spectroscopy (NIR) and chemometrics. The approach used was both qualitative and quantitative as models were built that would allow for highlighting the presence of alprazolam with high accuracy, and to quantify its concentration with, in many cases, an acceptable error. Classification models built using partial least squares discriminant analysis (PLS-DA) allowed for identifying whether a drink was spiked or not with the drug, with a prediction accuracy in the validation phase often higher than 90%. On the other hand, calibration models established through the use of partial least squares (PLS) regression allowed for quantifying the drug added with errors of the order of 2–5 mg/L. |
| first_indexed | 2024-03-09T21:24:52Z |
| format | Article |
| id | doaj.art-a3b382fb90a3422fb4c1551aaf26dd77 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T21:24:52Z |
| publishDate | 2022-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-a3b382fb90a3422fb4c1551aaf26dd772023-11-23T21:11:07ZengMDPI AGMolecules1420-30492022-09-012719642010.3390/molecules27196420Detection and Quantification of Alprazolam Added to Long Drinks by Near Infrared Spectroscopy and ChemometricsClaudia Scappaticci0Stella Spera1Alessandra Biancolillo2Federico Marini3Department of Chemistry, University of Rome “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome, ItalyDepartment of Chemistry, University of Rome “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome, ItalyDepartment of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, 67100 L’Aquila, ItalyDepartment of Chemistry, University of Rome “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome, ItalyIn the present work, a fast, relatively cheap, and green analytical strategy to identify and quantify the fraudulent (or voluntary) addition of a drug (alprazolam, the API of Xanax<sup>®</sup>) to an alcoholic drink of large consumption, namely gin and tonic, was developed using coupling near-infrared spectroscopy (NIR) and chemometrics. The approach used was both qualitative and quantitative as models were built that would allow for highlighting the presence of alprazolam with high accuracy, and to quantify its concentration with, in many cases, an acceptable error. Classification models built using partial least squares discriminant analysis (PLS-DA) allowed for identifying whether a drink was spiked or not with the drug, with a prediction accuracy in the validation phase often higher than 90%. On the other hand, calibration models established through the use of partial least squares (PLS) regression allowed for quantifying the drug added with errors of the order of 2–5 mg/L.https://www.mdpi.com/1420-3049/27/19/6420near infrared (NIR) spectroscopyalprazolamchemometricspartial least squares (PLS) regressionpartial least squares discriminant analysis (PLS-DA)drug-facilitated sex assault (DFSA) |
| spellingShingle | Claudia Scappaticci Stella Spera Alessandra Biancolillo Federico Marini Detection and Quantification of Alprazolam Added to Long Drinks by Near Infrared Spectroscopy and Chemometrics Molecules near infrared (NIR) spectroscopy alprazolam chemometrics partial least squares (PLS) regression partial least squares discriminant analysis (PLS-DA) drug-facilitated sex assault (DFSA) |
| title | Detection and Quantification of Alprazolam Added to Long Drinks by Near Infrared Spectroscopy and Chemometrics |
| title_full | Detection and Quantification of Alprazolam Added to Long Drinks by Near Infrared Spectroscopy and Chemometrics |
| title_fullStr | Detection and Quantification of Alprazolam Added to Long Drinks by Near Infrared Spectroscopy and Chemometrics |
| title_full_unstemmed | Detection and Quantification of Alprazolam Added to Long Drinks by Near Infrared Spectroscopy and Chemometrics |
| title_short | Detection and Quantification of Alprazolam Added to Long Drinks by Near Infrared Spectroscopy and Chemometrics |
| title_sort | detection and quantification of alprazolam added to long drinks by near infrared spectroscopy and chemometrics |
| topic | near infrared (NIR) spectroscopy alprazolam chemometrics partial least squares (PLS) regression partial least squares discriminant analysis (PLS-DA) drug-facilitated sex assault (DFSA) |
| url | https://www.mdpi.com/1420-3049/27/19/6420 |
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