Applied Sciences
February 25, 2023
Jelica Džodić, Dejan Milenković, Milica Marković et al.
27 citations
Theoretical methods accurately predict the infrared, NMR, UV-VIS, and mass spectra of lysergic acid diethylamide (LSD) when compared with experimental data. Optimizing the molecular structure at the M05-2X/6-311++G(d,p) level of theory yielded bond lengths within 0.0436 Å and bond angles within 2.70° of crystallographic data. The computed C=O stretching vibration differed from experimental by less than 11 cm⁻¹. Predicted 13C NMR chemical shifts correlated with experimental values at 0.999, with a mean absolute error of 2.0 ppm. The calculated ground-to-excited-state energy difference of 330 nm matched the observed UV-VIS band. This approach was validated against a seized-sample GC-MS spectrum and by computing NMR spectra of common LSD analogs, demonstrating its potential for characterizing novel psychedelics.
Applied Sciences
June 22, 2018
10 citations
Three analytical methods—matrix-assisted laser desorption/time-of-flight mass spectrometry, gas chromatography–electron ionization–mass spectrometry, and liquid chromatography–electrospray ionization/mass spectrometry—were compared for characterizing 20 phenethylamine and tryptamine standards. For GC-EI/MS, three characteristic peaks (the molecular ion and fragments from Cβ-Cα bond breakage) uniquely identified 2C series compounds. For ESI/MS and MALDI/TOFMS, the protonated molecular ion and fragments from α-cleavage and β-cleavage provided useful information for rapid screening and confirmation of phenethylamine and tryptamine derivatives. The assay successfully determined samples containing illicit drugs.
Applied Sciences
December 19, 2024
Nicola de Pisapia, Gabriele Penazzi, Ignacio Ibarra et al.
2 citations
Immersive virtual reality cave environments can induce higher emotional arousal, spiritual engagement, and improvements in creativity and flexible thinking compared to virtual open spaces. Participants performed pareidolic tasks in both settings, and the cave setting led to changes in semantic network organization and subjective experience. These findings support the hypothesis that ancient humans used caves for rituals involving altered consciousness, and demonstrate that VR can reconstruct early human experiences to investigate psychological and cognitive states. The work bridges cognitive archaeology and immersive VR technologies.
Applied Sciences
February 13, 2026
Miłosz Badach, Jakub Kleinrok, Weronika Pająk et al.
Mushroom-related poisonings are difficult for forensic medicine because early symptoms are nonspecific, effects can be delayed, and other substances may confuse the cause of death. This review describes toxic and psychoactive mushrooms and their compounds, including organ-damaging toxins (amatoxins, orellanine) and those causing temporary psychiatric effects (psilocybin, ibotenic acid). It proposes a diagnostic approach combining exposure history, organ injury markers, mushroom identification, and confirmatory toxicology. Special attention is given to interpreting postmortem samples, as toxins can degrade, transform, or redistribute after death, and fungi may colonize the body, altering results.