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Molecules

Molecules is a leading international, peer-reviewed, open access journal of chemistry published semimonthly online by MDPI.
Indexed in PubMed | Quartile Ranking JCR - Q2 (Biochemistry and Molecular Biology | Chemistry, Multidisciplinary)

All Articles (62,426)

This study numerically investigates the critical fuel concentration and flammable regions of methane–air and methane oxy-fuel counterflow diffusion flames. The goal is to determine the effects of strain rate, oxidizer composition, and radiative heat transfer models on flame extinction. Calculations were performed using the counterflow diffusion flame with the adiabatic (ADI), optically thin (OTM), and statistical narrow-band (SNB) radiation models at strain rates of 10 s−1, 80 s−1, and 200 s−1. The key findings are as follows: For methane–air flames, radiation reabsorption has a negligible impact. The flammable region decreases with increasing strain rate (SLow > SMid > SHigh) across all models. In O2/CO2 flames, radiation plays a significant role. While the ADI and SNB models maintain the same trend as in air flames, the OTM yields a different order (SMid > SHigh > SLow). Reducing oxygen concentration increases the critical fuel concentration and shrinks the flammable region. When the oxygen concentration is between 0.35 and 0.40, the combustion characteristics of O2/CO2 flames resemble those of conventional air flames. In conclusion, this work highlights the critical influence of radiation modeling and oxidizer composition on oxy-fuel flame extinction limits, providing insights for combustion system design under CO2 dilution.

29 December 2025

The variation of the maximum flame temperature and strain rate of the methane–air flame under different radiation models.

Goldenrod (Solidago gigantea Aiton) is a highly invasive species in Europe (e.g., Poland, Germany, and the Czech Republic) whose secondary metabolites can serve as potential sources of bioactive compounds. This study evaluated the phytochemical profile of S. gigantea extracts and evaluated their antibacterial, insecticidal, and phytotoxic activities. The extracts were found to be rich in flavonoids (TFC = 101 mg QE/g) and phenolics (TPC = 175 mg GAE/g), with chlorogenic acid and rutin as dominant constituents. Strong antibacterial activity was observed against Gram-positive bacteria, particularly Staphylococcus spp. (MIC90 = 2.3 mg/mL; MBC = 5 mg/mL), while Gram-negative bacteria were less sensitive, with moderate susceptibility in Rhizobium radiobacter and Pseudomonas syringae. The extract exhibited fungistatic activity against all tested filamentous fungi, with Fusarium species being the most sensitive (49–56% growth inhibition at 10 mg/mL). Insecticidal assays demonstrated significant mortality of Tribolium confusum adults at 2.5–7.0 mg/mL and feeding inhibition at concentrations as low as 0.5 mg/mL. Seedling growth tests showed dose-dependent effects—from mild suppression to moderate stimulation, varying by plant species. Foliar application revealed both stimulatory and inhibitory effects, with the strongest biomass reduction in cress at 10 mg/mL (−45%). These findings indicate that S. gigantea extracts possess potent antibacterial, antifungal, insecticidal, and allelopathic activities. Their concentration-dependent effects on pathogens and plants highlight potential applications in sustainable agriculture, including natural crop protection and integrated pest management.

29 December 2025

Telmisartan, an angiotensin II type 1 receptor (AT1R) antagonist, possesses cytotoxic activity towards BRAF-mutated melanoma cell lines. However, its antihypertensive effects limit its use in the population of normotensive patients. To mitigate this shortcoming, a group of eight telmisartan–amino acid conjugates, designed to have reduced or no AT1R affinity with enhanced cellular uptake, were synthesized by the coupling reaction in yields ranging from 34% to 60%. Their cytotoxicity was tested on BRAF V600E-mutated melanoma cell lines (A375 and 518A2), and compounds 1, 3, and 8 stood out as the best candidates. These three compounds were also tested on the vemurafenib-resistant (A375R) and normal (HaCaT and MRC-5) cell lines, and compound 8 showed better cytotoxicity (IC50 = 8.84 ± 1.24 µM) and selectivity (>3.50) when compared to telmisartan (IC50 = 29.23 ± 3.88, selectivity > 2.40). The cellular uptake of compounds 1 and 8 was significantly higher than telmisartan, with substantial accumulation in the membrane and nuclear compartments. Unlike telmisartan, compounds 1, 3, and 8 did not inhibit angiotensin II-induced Ca2+ signaling, which indicates diminished AT1R binding. All three compounds induced cell cycle arrest and disrupted mitochondrial morphology and membrane potential. These findings highlight their potential as non-antihypertensive telmisartan derivatives for melanoma therapy.

29 December 2025

The poor stability of CsPbBr3 perovskite nanocrystals (PNCs) caused by weak and dynamic ligand coordination severely limits their commercial applications. Herein, a dual-ligand synergistic modification strategy based on bromocarboxylic acids (BCAs) and oleylamine (OAm) was developed to mediate the surface structures and luminescent dynamics of CsPbBr3 PNCs. The results reveal that carboxylate groups of BCA ligands modulate crystal growth, while its terminal Br atom forms a strong coordination with exposed Pb2+ on the PNCs surface, which can effectively passivate lead- and bromine-related defects. The synergistic protection of OAm ligands enhances the stability of PNCs via amino-halide electrostatic interactions and steric hindrance effects. Notably, based on the relatively dense surface coating of 4-bromobutyric acid (BBA) and OAm dual-ligands, the prepared CsPbBr3 PNCs exhibit a high photoluminescence quantum yield (PLQY) of 85.2 ± 2.4% and remarkable storage stability, retaining 90.2 ± 1.7% of their initial PL intensity after being stored for 63 days under ambient conditions. Furthermore, a prototype white light-emitting diode (WLED) fabricated with these PNCs displays a wide color gamut covering 122.1% of the NTSC standard and a luminous efficacy of 64.6 lm/W. This work provides a facile and feasible ligand engineering strategy to obtain highly stable and emissive PNCs.

29 December 2025

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Molecules - ISSN 1420-3049