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Biblioteca(s): |
Embrapa Solos. |
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Data corrente: |
06/12/2017 |
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Data da última atualização: |
11/11/2021 |
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Tipo da produção científica: |
Artigo em Periódico Indexado |
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Autoria: |
PENIDO, C. A. F. de O.; PACHECO, M. T. T; NOVOTNY, E. H.; LEDNEV, I. K.; SILVEIRA JUNIOR, L. |
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Afiliação: |
CIRO AUGUSTO FERNANDES DE OLIVEIRA PENIDO, UNICASTELO; MARCOS TADEU TAVARES PACHECO, UAM; ETELVINO HENRIQUE NOVOTNY, CNPS; IGOR K. LEDNEV, UNIVERSITY OF ALBANY; LANDULFO SILVEIRA JUNIOR, UAM. |
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Título: |
Quantification of cocaine in ternary mixtures using partial least squares regression applied to Raman and Fourier transform infrared spectroscopy. |
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Ano de publicação: |
2017 |
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Fonte/Imprenta: |
Journal of Raman Spectroscopy, v. 48, n. 12, p. 1732-1743, Dec. 2017. |
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DOI: |
https://doi.org/10.1002/jrs.5231 |
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Idioma: |
Inglês |
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Conteúdo: |
The use of chemicals is often related to suicide attempts and acute poisoning, which account for a significant number of hospital admissions. The differential diagnosis of patients exposed to poisoning is intricate and varies according to the substance used. The identification of drugs and drug abuse in cases of poisoning often requires time-consuming and complex techniques, such as chromatography. The use of vibrational spectroscopy such as Raman spectroscopy and Fourier transform infrared spectroscopy (FTIR) enables the quick identification of toxic substances using no reagents or markers. This study aims to apply these techniques in the long term to identify and quantify substances found at the locations of suicide attempts, poisonings, and even drug consumption sites, including crack samples containing a cocaine base and adulterants commonly seized in drug busts, such as caffeine, lidocaine, and sodium carbonate. In this study, Raman and FTIR spectra of ternary mixtures of crack with caffeine and sodium carbonate and crack with lidocaine and sodium carbonate were obtained. These spectra were used for building multivariate models based on partial least squares (PLS) for determining the composition of the samples quantitatively. High correlation coefficients (r > 0.98) and small cross-validation prediction errors (< 6%) were obtained for both Raman and FTIR spectral models. The results showed that PLS regression enables crack quantification in ternary mixtures using both Raman and FTIR spectroscopy, allowing for quick medical intervention or determination of the cause of death in cases of cocaine toxicity. MenosThe use of chemicals is often related to suicide attempts and acute poisoning, which account for a significant number of hospital admissions. The differential diagnosis of patients exposed to poisoning is intricate and varies according to the substance used. The identification of drugs and drug abuse in cases of poisoning often requires time-consuming and complex techniques, such as chromatography. The use of vibrational spectroscopy such as Raman spectroscopy and Fourier transform infrared spectroscopy (FTIR) enables the quick identification of toxic substances using no reagents or markers. This study aims to apply these techniques in the long term to identify and quantify substances found at the locations of suicide attempts, poisonings, and even drug consumption sites, including crack samples containing a cocaine base and adulterants commonly seized in drug busts, such as caffeine, lidocaine, and sodium carbonate. In this study, Raman and FTIR spectra of ternary mixtures of crack with caffeine and sodium carbonate and crack with lidocaine and sodium carbonate were obtained. These spectra were used for building multivariate models based on partial least squares (PLS) for determining the composition of the samples quantitatively. High correlation coefficients (r > 0.98) and small cross-validation prediction errors (< 6%) were obtained for both Raman and FTIR spectral models. The results showed that PLS regression enables crack quantification in ternary mixtures using both R... Mostrar Tudo |
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Palavras-Chave: |
Crack; Espectroscopia vibratória; Mínimos quadrados parciais; Quantificação; Regressão multivariada. |
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Thesagro: |
Intoxicação. |
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Categoria do assunto: |
W Química e Física |
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Marc: |
LEADER 02505naa a2200253 a 4500
001 2081651
005 2021-11-11
008 2017 bl uuuu u00u1 u #d
024 7 $ahttps://doi.org/10.1002/jrs.5231$2DOI
100 1 $aPENIDO, C. A. F. de O.
245 $aQuantification of cocaine in ternary mixtures using partial least squares regression applied to Raman and Fourier transform infrared spectroscopy.$h[electronic resource]
260 $c2017
520 $aThe use of chemicals is often related to suicide attempts and acute poisoning, which account for a significant number of hospital admissions. The differential diagnosis of patients exposed to poisoning is intricate and varies according to the substance used. The identification of drugs and drug abuse in cases of poisoning often requires time-consuming and complex techniques, such as chromatography. The use of vibrational spectroscopy such as Raman spectroscopy and Fourier transform infrared spectroscopy (FTIR) enables the quick identification of toxic substances using no reagents or markers. This study aims to apply these techniques in the long term to identify and quantify substances found at the locations of suicide attempts, poisonings, and even drug consumption sites, including crack samples containing a cocaine base and adulterants commonly seized in drug busts, such as caffeine, lidocaine, and sodium carbonate. In this study, Raman and FTIR spectra of ternary mixtures of crack with caffeine and sodium carbonate and crack with lidocaine and sodium carbonate were obtained. These spectra were used for building multivariate models based on partial least squares (PLS) for determining the composition of the samples quantitatively. High correlation coefficients (r > 0.98) and small cross-validation prediction errors (< 6%) were obtained for both Raman and FTIR spectral models. The results showed that PLS regression enables crack quantification in ternary mixtures using both Raman and FTIR spectroscopy, allowing for quick medical intervention or determination of the cause of death in cases of cocaine toxicity.
650 $aIntoxicação
653 $aCrack
653 $aEspectroscopia vibratória
653 $aMínimos quadrados parciais
653 $aQuantificação
653 $aRegressão multivariada
700 1 $aPACHECO, M. T. T
700 1 $aNOVOTNY, E. H.
700 1 $aLEDNEV, I. K.
700 1 $aSILVEIRA JUNIOR, L.
773 $tJournal of Raman Spectroscopy$gv. 48, n. 12, p. 1732-1743, Dec. 2017.
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| 1. |  | SCHETTINO, G. M.; SILVEIRA JÚNIOR, L.; MOREIRA, L. H.; SCHETTINO, H. V.; SILVA, M. V. G. B. Quantificação de gordura, de proteína e de matéria seca do leite bovino utilizando espectroscopia Raman: uma possibilidade de aplicação em campo. In: REUNIÃO ANUAL DA SOCIEDADE BRASILEIRA DE ZOOTECNIA, 52., 2015, Belo Horizonte. Zootecnia: otimizando recursos e potencialidades: anais. Belo Horizonte: Sociedade Brasileira de Zootecnia, 2015. 3 p.| Tipo: Artigo em Anais de Congresso |
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