ACS omega
July 6, 2021
Bruno González, Catherine Fagúndez, Alejandro Peixoto de Abreu Lima et al.
18 citations
An optimized process extracts voacangine from Voacanga africana root bark using a direct acetone-based procedure, yielding approximately 0.8% of the dried root bark weight. The major alkaloids isolated are iboga-vobasinyl dimers, such as voacamine and voacamidine, which constitute about 3.7% of the bark. Because these dimers contain the voacangine moiety, a further optimized cleavage step produces additional voacangine at about 50% isolated molar yield. Applying both extraction and dimer cleavage nearly doubles the total voacangine obtained from the plant material compared to direct extraction alone.
ACS omega
September 24, 2019
Meghan Grace Appley, Samira Beyramysoltan, Rabi Ann Musah
18 citations
Several plant-based 'legal highs' designated by the United Nations as plants of concern can be reliably identified by their headspace chemical profiles. Using direct analysis in real-time high-resolution mass spectrometry (DART-HRMS), the headspace volatiles of 15 species—including Cannabis sativa, Mitragyna speciosa, and Salvia divinorum—were analyzed. Intraspecies similarities and interspecies differences were observed. Supervised random forest classification achieved 99% accuracy in distinguishing species. A conformal predictor based on this classifier was valid at an 8% significance level with an error rate of 0. The technique demonstrates proof-of-concept for a database to detect and identify plant-based legal highs through headspace analysis.
ACS omega
April 29, 2025
Cláudia Mancilha Rocha, Larissa Magalhães de Almeida Melo, Augusto César Carvalho Santos et al.
5 citations
A new screening method combining a color change and an electrochemical signal can identify LSD and related drugs (NBOHs, NBOMes, 2Cs) on blotter papers. The method uses Emerson's reagent to produce a color change and a voltammetric measurement on a graphite electrode to detect the drugs. It provides three distinct responses for NBOHs, allowing unambiguous identification, and can distinguish between different drug types. The technique is stable (less than 2.3% variability), sensitive (detection limit of 0.3 μg per mL), and works across a wide concentration range (10 to 1000 μg per mL). When tested on 33 real seized samples, the results matched those from standard confirmatory methods, offering a simple and fast tool for forensic screening.
ACS omega
January 10, 2023
Megan I Chambers, Justine E Giffen-Lemieux, Rabi A Musah
5 citations
A direct analysis in real time-high-resolution mass spectrometry (DART-HRMS) method rapidly screens and quantifies salvinorin A in Salvia divinorum plant material without lengthy sample pretreatment. Raw Salvia leaves contained an average of 1.54 mg/g of salvinorin A, while enhanced leaf extracts had between 13.0 and 53.2 mg/g. Cholesterol served as a suitable internal standard for quantification. The approach bypasses traditional chromatographic sample preparation, enabling faster assessment of psychoactive plant materials.
ACS omega
August 27, 2024
Marcelo N Costa, Livia Goto-Silva, Juliana M Nascimento et al.
3 citations
Exposure to LSD alters the abundance of hundreds of proteins in lab-grown human brain tissue, affecting pathways related to protein quality control, energy metabolism, and the brain's ability to rewire itself. Mass spectrometry revealed changes in protein synthesis, folding, and degradation, as well as in glycolysis and oxidative phosphorylation. Follow-up experiments showed that LSD also promotes the growth of neuronal extensions, supporting its influence on neuroplasticity. These molecular changes may help explain how psychedelics could produce therapeutic effects in neuropsychiatric disorders.
ACS omega
August 26, 2025
Roman Boča, Juraj Štofko, Cyril Rajnák
Nine psychotropic small molecules with phenyl and aliphatic amine groups—phenethylamine, amphetamine, ephedrine, pseudoephedrine, methamphetamine, MDMA, MDEA, MDA, and MDAI—were analyzed computationally in water using two quantum chemical methods: Density Functional Theory (B3LYP) and a post-Hartree-Fock method (DLPNO-CCSD-(T)). Each molecule was studied as a neutral, cationic, and anionic species, plus protonated forms from hydrochloride salts. Properties calculated included ionization energy, electron affinity, electronegativity, chemical hardness, electrical and magnetic properties, and thermodynamic quantities. Several correlations emerged, such as between molar mass and dipole polarizability, and between ionization energy and oxidation potential. Electron removal during ionization was tracked via changes in atomic spin densities and NMR shielding constants.
ACS omega
September 24, 2024
Ana Martínez, Alexis Caballero, Rodrigo Ramírez et al.
Psychedelics alter thoughts, feelings, and perceptions of reality, with lysergic acid diethylamide being the most potent. This investigation analyzed 27 serotonergic psychedelic molecules, which act as serotonin agonists. The electron acceptance capacity of these compounds correlates with their potency: the best electron acceptor is the most potent drug. Additionally, molecules with greater global softness, indicating higher polarizability, also show greater potency. These findings advance understanding of the mechanism of action of psychotropic drugs.