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Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

ISSN 1873-3557

3 papers in the library · 33 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:...

Theoretical and experimental NMR studies on muscimol from fly agaric mushroom (Amanita muscaria).

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy January 15, 2016 Teobald Kupka, Piotr Wieczorek

In this article we report results of combined theoretical and experimental NMR studies on muscimol, the bioactive alkaloid from fly agaric mushroom (Amanita muscaria). The assignment of (1)H and (13)C NMR spectra of muscimol in DMSO-d6 was supported by additional two-dimensional heteronuclear correlated spectra (2D NMR) and gauge independent atomic orbital (GIAO) NMR calculations using density...

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...

DOI: 10.1016/j.saa.2014.06.037 (opens in new tab) Full text (opens in new tab) B3lyp and hseh1pbe Bioactivity N,N-Dimethyltryptamine