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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)

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Leishmaniasis is a global health issue, especially in tropical and subtropical areas, with treatment challenges due to the development of resistance to current drugs. This has prompted the search for new antileishmanial compounds. Endoperoxides, due to parasites’ reliance on external iron and susceptibility to oxidative stress, are promising antileishmanial compounds. This study evaluated two sterol endoperoxides—ergosterol endoperoxide (ErgoEP) and dehydrocholesterol endoperoxide (DHCholEP)—for their antileishmanial activity and mechanism in vitro. Cell viability assays with Leishmania donovani and Leishmania tarentolae promastigotes showed IC50 values in the low micromolar range (from 2.0 to 4.5 µM, respectively) with low toxicity to murine and J774A.1 macrophages. Electron paramagnetic resonance spectroscopy confirmed radical generation in the presence of low-molecular-weight iron compounds. However, this did not trigger the antileishmanial effect, as neither N-acetylcysteine nor pyridoxal isonicotinoyl hydrazone altered activity. Mitochondrial function(s) and superoxide production in Leishmania remained unaffected. Both endoperoxides significantly inhibited synthesis of 5-dehydroepisterol, the major sterol in Leishmania tarentolae, suggesting targeting of the sterol biosynthesis pathway. Their limited toxicity to mammalian macrophages makes ergosterol and dehydrocholesterol endoperoxides promising candidates for future antileishmanial drug development.

14 March 2026

Synthesis of sterol EPs. Ergosterol (Ergo) and dehydrocholesterol (DHChol) were subjected to visible light irradiation (hv) in the presence of the photosensitizer (PS) methylene blue and oxygen, yielding corresponding endoperoxides ErgoEP and DHCholEP, respectively.

This study evaluated the antimicrobial and antioxidant activities and chemical properties of four wild edible macrofungi—Tuber aestivum (Wulfen) Spreng., Terfezia claveryi Chatin, Agaricus arvensis Schaeff. and Bovistella utriformis (Bull.) Demoulin & Rebriev—collected from different regions of Türkiye, with particular emphasis on the role of phenolic compounds. Methanol and hexane extracts were assessed for antimicrobial activity against Gram-positive, Gram-negative, multidrug-resistant (MDR) bacterial strains, and Candida albicans using minimum inhibitory concentration (MIC) assays. Total phenolic content (TPC) was determined, and antioxidant capacities were evaluated using DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2′-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid)), FRAP (ferric reducing antioxidant power), and CUPRAC (cupric ion reducing antioxidant capacity) assays. The chemical profiles of hexane extracts were characterized by GC–MS analysis, whereas methanol extracts were analyzed by LC–MS/MS. Methanol extracts with high content of phenolic compounds exhibited markedly higher antimicrobial activity than hexane extracts, especially against Gram-positive bacteria. B. utriformis and A. arvensis displayed the highest phenolic contents (29.61 ± 0.6 and 27.14 ± 0.59 mg GAE/g DW, respectively) and antioxidant activities, revealing a strong positive correlation between TPC and antioxidant capacity. LC–MS/MS analysis revealed catechin, cinnamic acid, and caffeic acid as prominent phenolic constituents, highlighting the role of polyphenols in the observed bioactivity. GC–MS profiling predominantly identified fatty acid methyl esters, particularly linoleic and oleic acids, together with minor phenolic derivatives, suggesting a possible synergistic interaction contributing to the overall biological potential. The results highlight phenolic-rich macrofungi as valuable natural sources of antioxidant and antimicrobial agents with potential applications.

14 March 2026

Macrofungi samples collected from field studies: (A) Tuber aestivum, (B) Terfezia claveryi, (C) Agaricus arvensis, and (D) Bovistella utriformis.

This study evaluated the effect of water vapor generated by fresh-cut mango (Mangifera indica) on the release of β-carotene from β-cyclodextrin complexes (β-C:β-CD) under stored Modified Atmosphere Packaging (MAP) and to demonstrate β-carotene stabilization and passive–active packaging behavior under MAP conditions. Containers with fresh-cut mangoes, with and without MAP (4% O2, 6% CO2, 90% N2), were prepared for monitoring over 6 days at 4 °C. β-C:β-CD complexes were incorporated into the lids of containers. The physicochemical, relative humidity, antioxidant, erythroprotective, microbiological, and biofunctional qualities of freshly cut mangoes during storage were analyzed. Active metabolic respiration of plant tissue led to a progressive decrease in O2 and an increase in CO2 in sealed containers, a phenomenon intensified by cutting, high humidity, and the system’s limited gas permeability. Application of MAP effectively modulated this microenvironment, reducing respiration rate, water loss, acidification, and the degradation of bioactive compounds. Compared to treatments without MAP, mangoes stored under modified atmosphere showed greater color stability, a slower rate of change in pH and titratable acidity, less loss of antioxidant activity and phenolic compounds, and significant preservation of erythroprotective capacity. Furthermore, MAP maintained microbial counts within the limits established by current regulations until the sixth day of storage. The encapsulation of β-C in β-CD effectively protected its bioactivity from oxidation, especially under MAP, although its release into the food matrix was limited, suggesting a predominantly passive behavior of the active packaging system. Overall, the results demonstrate that the combination of MAP constitutes a promising strategy for extending the shelf life and biofunctional stability of fresh-cut mangoes and β-C into the complex.

14 March 2026

Variation of carbon dioxide (a), oxygen (b) and nitrogen (c) composition inside the package with freshly cut mango during 6 days of storage at 4 °C. M: Container of mango without MAP and without complex β-C:β-CD; MMA: Container of mango with MAP and without complex β-C:β-CD; MC: Container of mango without MAP and with complex β-C:β-CD; MMAC: Container of mango with MAP and with complex β-C:β-CD.

To enable the efficient and environmentally benign treatment of phenol-containing wastewater, a nitrogen-doped porous carbon material (denoted as 900-CN) was synthesized via high-temperature annealing of a composite composed of humic acid (HA) and g-C3N4. The as-prepared materials were characterized, and their catalytic performance in activating peroxymonosulfate (PMS) for phenol degradation was investigated. The results demonstrate that g-C3N4 acts as a layered template; upon high-temperature annealing, it gradually evolves into a highly wrinkled and porous architecture. This morphology substantially increases the specific surface area, thereby facilitating pollutant removal. PMS formed metastable surface complexes on 900-CN, enabling concomitant electron transfer. Concurrently, functional groups on the HA-derived carbon reacted with PMS to generate singlet oxygen (1O2), a highly oxidative species that markedly enhanced phenol degradation. The 900-CN composite achieved complete phenol removal (100%) within 60 min. Variations in reaction temperature (20–50 °C) and initial pH (2–10) exhibited negligible influence on the performance of the 900-CN/PMS system. Reactive species in the 900-CN/PMS/phenol system included •OH, SO4•−, O2•−, and 1O2, indicating that phenol degradation occurred through combined radical and non-radical pathways. These findings highlight the strong potential of 900-CN as a promising catalyst for the treatment of phenolic wastewater.

13 March 2026

(a) SEM image of humic acid-derived carbon (900-HA); (b) SEM image of g-C3N4; (c,d) SEM images of 900-CN; (e) Elemental mapping image of 900-CN.

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Molecules - ISSN 1420-3049