Structural and spectral evaluation of kratom (mitragynine)

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  • Presentation type: Apresentação de Pôster / Poster Communications
  • Track: Química Computacional
  • Keywords: DFT; infrared spectroscopy; multivariate analysis; kratom;
  • 1 Departamento de Química / Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto / Universidade de São Paulo

Structural and spectral evaluation of kratom (mitragynine)

Caio Henrique Pinke Rodrigues

Departamento de Química / Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto / Universidade de São Paulo

Abstract

The goal was to carry out the structural and infrared analysis of this structure using DFT and chemometrics.
The idea is to verify if theoretical methods can help study illicit substances with forensic interest.
In this work, methods of statistical mechanics, complete factorial planning, and multivariate analysis were used.
We demonstrate that computational methods have great potential to improve information about illicit substances.

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