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Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

ISSN 1873-3557

3 papers in the library · 36 citations · publishing 2014-2024

Papers

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The molecular structure, vibrational spectra, solvation effect, non-covalent interactions investigations of psilocin.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy November 5, 2024 Utkirjon Holikulov, Aleksandr S Kazachenko, Noureddine Issaoui et al. 14 citations

Psilocin, or 4-HO-DMT (or 3-(2-dimethylaminoethyl)-1H-indol-4-ol), is a psychoactive alkaloid substance from the tryptamine family, isolated from Psilocybe mushrooms. This substance is being studied by various research groups because it has a clear therapeutic effect in certain dosages. In this work, the study of the structure and properties of psilocin was carried using theoretical methods:...

A compact Fourier-transform near-infrared spectrophotometer and chemometrics for characterizing a comprehensive set of seized ecstasy samples.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy June 5, 2024 Jennifer A Cavalcante, Jamille C Souza, Jarbas J R Rohwedder et al. 3 citations

A comprehensive data set of ecstasy samples containing MDMA (N-methyl-3,4-methylenedioxyamphetamine) and MDA (3,4-methylenedioxyamphetamine) seized by the Brazilian Federal Police was characterized using spectral data obtained by a compact, low-cost, near-infrared Fourier-transform based spectrophotometer. Qualitative and quantitative characterization was accomplished using soft independent...

Conformational, spectroscopic and nonlinear optical properties of biologically active N,N-dimethyltryptamine molecule: a theoretical study.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy December 10, 2014 Nazmiye Öner, Ömer Tamer, Davut Avcı et al. 19 citations

The effective psychoactive properties of N,N-dimethyltryptamine (DMT) known as the near-death molecule have encouraged the imagination of many research disciplines for several decades. Although there is no theoretical study, a number of paper composed by experimental techniques have been reported for DMT molecule. In this study, the molecular modeling of DMT was carried out using B3LYP and...