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Molecules

Molecules is a leading international, peer-reviewed, open access journal of chemistry published semimonthly online by MDPI. The International Society of Nucleosides, Nucleotides & Nucleic Acids (IS3NA), Spanish Society of Medicinal Chemistry (SEQT) and International Society of Heterocyclic Chemistry (ISHC) are affiliated with Molecules and their members receive discounts on the article processing charges.

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All Articles (65,855)

  • Article
  • Open Access

Cannabigerol (CBG) exerts vasorelaxant effects in human pulmonary arteries and lowers blood pressure (BP) in normotensive mice. However, data on the cardiovascular effects of CBG in hypertension and platelet function remain limited. Consequently, the aims of our study were as follows: to assess the effect of CBG on BP and heart rate (HR) in spontaneously hypertensive rats (SHR) and their normotensive controls (Wistar Kyoto rats; WKY); to investigate the vasorelaxant potential of CBG in small mesenteric arteries (sMAs) and the aorta; and to investigate the effect of CBG on platelet function in human blood. Acute CBG administration (1, 3, and 10 mg/kg) dose-dependently lowered BP and HR in SHR and WKY rats, with comparable effects between strains (except for a greater reduction in systolic BP in SHR). Furthermore, experiments on pithed rats support the possibility of both central and peripheral contributions to this hypotensive effect. The peripheral component is supported by CBG-induced vasorelaxation in sMAs and aortas, which was more pronounced in sMAs and in WKY rats. Additionally, we demonstrated that CBG inhibits platelet aggregation (collagen-induced) and secretion and reduces thrombus formation and platelet procoagulant response under arterial flow conditions. Taken together, these data indicate that CBG exerts multifaceted cardiovascular effects.

Molecules

6 October 2026

Comparison of the effects of cannabigerol (CBG) at three doses: 1, 3 and 10 mg/kg on systolic (SBP; (A)), diastolic (DBP; (C)), and mean (MBP; (E)) blood pressure, and heart rate (HR; (G)) in pentobarbital-anesthetized normotensive Wistar-Kyoto (WKY) rats and spontaneously hypertensive rats (SHR). The bar charts show the percentage changes in SBP (B), DBP (D), MBP (F) and HR (H) relative to baseline values for the highest dose of CBG (10 mg/kg). Data are presented as the mean ± SEM of 6–11 rats. # p < 0.05, ### p < 0.001 comparison between WKY and SHRs; * p < 0.05, ** p < 0.01, *** p < 0.001 comparison between vehicle vs. selected doses (one-way ANOVA followed by Bonferroni’s post hoc test). White circles represent individual data points.
  • Article
  • Open Access

Xenon (Xe) is an inert noble gas receiving increasing attention in medical research due to its anesthetic properties, ability to regulate metabolic processes, and broad organoprotective effects. Due to its small size and non-covalent intermolecular interactions, Xe can be encapsulated within α-cyclodextrin (α-CD). In this study, we combine a theoretical study based on molecular mechanics (MM) and molecular dynamics (MD) simulations with the synthesis and characterization of the α-CD/Xe inclusion complex. During the MD simulations, surface interactions and the formation of inclusion complexes, with Xe atoms encapsulated within the α-CD cavity, were observed in aqueous solution. As the Xe concentration in water increased, α-CD/Xe inclusion complexes with 1:1, 1:2, and 1:3 stoichiometries were formed and remained stable over time, suggesting increasingly effective encapsulation at higher pressures. Following this computational investigation, experimental work was conducted to synthesize and characterize the α-CD/Xe inclusion complex using a liquid-phase encapsulation method. The complexes were prepared at Xe loading pressures of 2, 4, 6, and 8 bar. Thermogravimetric analysis (TGA) revealed weight loss between 100 and 200 °C. The effective encapsulation of Xe was also confirmed by solid-phase microextraction coupled with gas chromatography–mass spectrometry (SPME-GC-MS), which detected the characteristic m/z signals of Xe and allowed monitoring of its release over time upon contact with aqueous solution.

Molecules

6 October 2026

Side and top views, in stick (left) and CPK (right) representations, respectively, of the initial optimized geometries studied for the interaction between one, two, and three Xe atoms and α-CD in panels (a,b,c), respectively. For the three geometries at the calculated energy minimum, the van der Waals contributions (with its repulsive and dispersive components specified) and the electrostatic contribution are reported (in kJ/mol). Color codes: C atoms are grey, O atoms are red, Xe atoms are petrol blue, and H atoms are white.
  • Review
  • Open Access

The presence of organic pollutants in soil represents one of the main remediation challenges of the 21st century, and in this regard, peroxymonosulfate- (PMS) and persulfate (PS)-based advanced oxidation processes (AOPs) are among the most promising technologies for in situ contaminant removal. However, the complex and heterogeneous nature of soil strongly influences (positively or negatively) the efficacy of PMS/PS-AOPs, necessitating the development of better-targeted application strategies. This review provides a comprehensive overview of state-of-the-art applications, mechanistic pathways, operational limitations, and future perspectives of PMS/PS-based treatments for soil remediation. Self- and external activation methods of PMS and PS in soil, including thermal activation, microwave field stimulation, ultrasound cavitation, transition metal catalysis, alkaline activation, mechanochemical ball milling, and electrokinetic transport system, are evaluated. A survey of the recent literature reveals laboratory-scale tests to have excellent efficiency in removing various low-molecular-weight organic pollutants, allowing the research to focus toward more complex molecules. However, large-scale application remains constrained by local soil characteristics, high operational costs, and the adverse impacts of such treatments on the soil biotic community and fertility. The synergistic combination of multiple techniques is emerging as an effective strategy to bridge the efficiency gap between liquid and solid matrices. This approach could mitigate adverse environmental side effects and optimize low-invasiveness treatments for large-scale soil remediation.

Molecules

6 October 2026

Chemical structure of PMS and PS.
  • Article
  • Open Access

Ruta chalepensis L. var. angustifolia (Pers.) Willk. (Rutaceae) has been traditionally associated with hypocholesterolemic effects, although the bioactive metabolites responsible for this activity remain largely unknown. This study aimed to fractionate the methanolic extract of R. chalepensis var. angustifolia, identify its major phenolic constituents, and evaluate their inhibitory activity against 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase. The methanolic extract was fractionated by open column chromatography, and selected fractions were analyzed by thin layer chromatography and HPLC-DAD. Rutin was identified as one of the major flavonoids, while three chromatographically pure fractions corresponded to unidentified phenolic compounds. Their inhibitory activity was assessed using a commercial HMG-CoA reductase assay. Pravastatin showed 87.5% inhibition and served as the positive control. Among the isolated fractions, one unidentified phenolic fraction exhibited the highest inhibitory activity (66.0%), exceeding that of rutin (45.8%), whereas another fraction showed negligible activity (8.3%). These findings indicate that the HMG-CoA reductase inhibitory potential of R. chalepensis var. angustifolia cannot be attributed solely to rutin and suggest the presence of additional bioactive phenolic metabolites. Further structural characterization and mechanistic studies are required to identify the active compound and confirm its hypocholesterolemic potential in biological systems.

Molecules

5 October 2026

An HPLC-DAD chromatogram of the whole methanolic extract, showing the six principal peaks (peak 1 = rutin). λ = 280 nm.

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Editors: Irwin Rose Alencar Menezes, Henrique Douglas Melo Coutinho, Almir Gonçalves Wanderley, Jaime Ribeiro-Filho
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Molecules - ISSN 1420-3049