Molecules

16 pages, 3597 KB

Open AccessArticle

Evaluation of Biocompatible and Biodegradable PES/PCL Membranes for Potential Use in Biomedical Devices: From Fouling Resistance to Environmental Safety

by Cezary Wojciechowski, Monika Wasyłeczko, Dorota Lewińska and Andrzej Chwojnowski

Molecules 2025, 30(19), 3887; https://doi.org/10.3390/molecules30193887 (registering DOI) - 25 Sep 2025

Abstract

The paper presents a method for obtaining partially degradable capillary membranes from a polyethersulfone/polycaprolactone (PES/PCL) mixture. PES/PCL membranes were obtained by the phase inversion technique with dry/wet spinning and then subjected to controlled degradation in an alkaline environment (1 M NaOH) and simulated [...] Read more.

The paper presents a method for obtaining partially degradable capillary membranes from a polyethersulfone/polycaprolactone (PES/PCL) mixture. PES/PCL membranes were obtained by the phase inversion technique with dry/wet spinning and then subjected to controlled degradation in an alkaline environment (1 M NaOH) and simulated body fluid (SBF with pH 7.4) using the flow method. The aim of the work was to select and apply a degradable, non-toxic, simple polymer as a removable component of the membrane structure. The degradable component of the membranes was PCL, the gradual hydrolysis of which was aimed at increasing the porosity and improving the transport properties of the membranes during operation. The membrane properties, such as hydraulic permeability coefficient (UFC), retention coefficient, and structural morphology, were assessed using scanning electron microscopy (SEM) before and after degradation. Analysis of SEM images performed with MeMoExplorer^TM software showed an increase in the proportion of large pores (above 300 µm²) and total porosity of the membranes after degradation in NaOH and SBF. Low instability factor (<0.25) for all samples, both before and after degradation, confirms the good repeatability of the membrane structure. An increase in the UFC was observed, while the retention coefficients did not change significantly in the case of membranes after the etching process. The degradation of the PCL component in the membrane was assessed using the weight method. Measurements of the membrane mass loss before and after degradation confirmed the removal of over 50 wt.% of the PCL component in SBF and 70 wt.% in NaOH from the tested membranes, which resulted in an increase in permeability due to increased membrane porosity. The results indicate the possibility of using such structures as functional, partially self-regulating membranes, potentially useful in biomedical and environmental applications. Full article

(This article belongs to the Special Issue Design, Modifications, and Medical Application of Polymer-Based Materials)

35 pages, 2805 KB

Open AccessArticle

Geochemical Characterization of Kupferschiefer in Terms of Hydrocarbon Generation Potential and Hydrogen Content

by Irena Matyasik, Małgorzata Kania, Małgorzata Labus and Agnieszka Wciślak-Oleszycka

Molecules 2025, 30(19), 3886; https://doi.org/10.3390/molecules30193886 (registering DOI) - 25 Sep 2025

Abstract

The Permian Kupferschiefer shale, a key stratigraphic unit within the Zechstein sequence of the Fore-Sudetic Monocline, represents both a metal-rich lithofacies and a potential source rock for hydrocarbon generation. This study presents a comprehensive geochemical characterization of selected Kupferschiefer samples obtained from the [...] Read more.

The Permian Kupferschiefer shale, a key stratigraphic unit within the Zechstein sequence of the Fore-Sudetic Monocline, represents both a metal-rich lithofacies and a potential source rock for hydrocarbon generation. This study presents a comprehensive geochemical characterization of selected Kupferschiefer samples obtained from the Legnica–Głogów Copper District (LGOM) and exploratory boreholes. Analytical methods included Rock-Eval pyrolysis, Py-GC/FID, elemental analysis, TG-FTIR, biomarker profiling, and stable carbon isotope measurements. Results indicate that the shales contain significant amounts of Type II and mixed Type II/III kerogen, derived primarily from marine organic matter with minor terrestrial input. The organic matter maturity, expressed by T_max, places most samples within the oil window. Rock-Eval S2 values exceed 60 mg HC/g rock in some samples, confirming excellent generative potential. Py-GC/FID data further support high hydrocarbon yields, particularly in samples from the CG-4 borehole and LGOM mines. The thermal decomposition of kerogen reveals multiple degradation phases, with evolved gas analysis identifying sulfur-containing compounds and hydrocarbons indicative of sapropelic origin. Isotopic compositions of bitumen and kerogen suggest syngenetic relationships and marine depositional settings, with samples from a North Poland borehole showing isotopic enrichment consistent with post-depositional oxidation. Kinetic parameters calculated using the Kissinger–Akahira–Sunose method demonstrate variable activation energies (107–341 kJ/mol), correlating with differences in organic matter composition and mineral matrix. The observed variability in geochemical properties highlights both regional and facies-dependent influences on the shale’s generative capacity. The study concludes that the Kupferschiefer in southwestern and northern Poland exhibits substantial hydrocarbon generation potential. This potential has been previously underestimated due to the unit’s thinness, but localized zones with high TOC, favorable kerogen type, and low activation energy could be viable exploration targets for natural gas. Full article

30 pages, 5799 KB

Open AccessArticle

Unlocking the Ilex guayusa Potential: Volatile Composition, Antioxidant, Antidiabetic, and Hemolytic Activities, with In Silico Molecular Docking and ADMET Analysis of Hydroethanolic Extracts

by Nina Espinosa de los Monteros-Silva, Karla Martínez-Palacios, Anggie M. Jiménez, Melanie Ochoa-Ocampo, Thomas Garzón, Tamara Carrillo-Vásconez, Matteo Radice, Enith Vanessa Yánez, Julio Rea-Martínez, Zulay Niño-Ruiz, Karel Dieguez-Santana and Noroska G. S. Mogollón

Molecules 2025, 30(19), 3885; https://doi.org/10.3390/molecules30193885 - 25 Sep 2025

Abstract

This work studies the underexplored potential of Ilex guayusa and demonstrates the influence of geographical (locations: A, B, C) and ontogenetic (young: 0; old: 2) factors on its biochemical profile. The total phenolic content (TPC) was consistently higher than the total flavonoid content [...] Read more.

This work studies the underexplored potential of Ilex guayusa and demonstrates the influence of geographical (locations: A, B, C) and ontogenetic (young: 0; old: 2) factors on its biochemical profile. The total phenolic content (TPC) was consistently higher than the total flavonoid content (TFC) in all samples, with the highest values for site B: B2 for TPC (77.91 μg GAE/mg extract) and B0 for TFC (6.77 μg QE/mg extract). GC–MS identified 29 metabolites, and clustering analysis grouped samples B and C as rich in phenols and flavonoids, while site A was richer in alcohols, aldehydes, and hydrocarbons. Antioxidant potential was demonstrated, with B2 being the most active in ABTS (TEAC value of 0.3885 (mg/g dw)), whereas A2 and C2 showed the strongest activity in DPPH (0.0968 and 0.1850 (mg/g dw), respectively). No sample exhibited hemolysis and α-amylase inhibition; however, α-glucosidase inhibition was observed with the best activity for B0 (IC₅₀ = 68.05 µg/mL). Molecular docking, ADME, and correlation analyses indicated that B0 had the highest TFC, DPPH, and α-glucosidase inhibition values, while B2 showed the highest TPC and ABTS activity. Overall, the promising antioxidant and hypoglycemic activity combined with low toxicity highlights and expands the therapeutic and applicative potential of the species. Full article

(This article belongs to the Special Issue Phytochemistry, Human Health and Molecular Mechanisms)

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22 pages, 817 KB

Open AccessArticle

Physicochemical Properties and Quality of Bread Enriched with Haskap Berry (Lonicera caerulea L.) Pomace

by Grażyna Cacak-Pietrzak, Agata Marzec, Kacper Onisk, Stanisław Kalisz, Wioleta Dołomisiewicz, Renata Nowak, Anna Krajewska and Dariusz Dziki

Molecules 2025, 30(19), 3884; https://doi.org/10.3390/molecules30193884 - 25 Sep 2025

Abstract

Haskap berry (Lonicera caerulea L.) pomace, a by-product of juice processing, is a rich source of bioactive compounds. The aim of this study was to evaluate the effect of incorporating lyophilized and ground haskap berry pomace on the physicochemical properties of wheat [...] Read more.

Haskap berry (Lonicera caerulea L.) pomace, a by-product of juice processing, is a rich source of bioactive compounds. The aim of this study was to evaluate the effect of incorporating lyophilized and ground haskap berry pomace on the physicochemical properties of wheat bread. In addition, flour water absorption and dough rheological properties were assessed. The results demonstrated that the addition of pomace increased flour water absorption and dough stability. However, these improvements did not translate into enhanced bread quality. With increasing pomace levels in the formulation, reductions in bread volume and crumb porosity, as well as an increase in crumb firmness, were observed, which consequently lowered consumer acceptability. In contrast, the addition of pomace significantly increased the dietary fiber and ash contents of the enriched bread. Moreover, the enriched bread exhibited higher antioxidant activity and phenolic compound content, along with significant alterations in the phenolic profile. Enrichment resulted in elevated concentrations of chlorogenic acid, neochlorogenic acid, cryptochlorogenic acid, protocatechuic acid, and p-coumaric acid. Furthermore, the contents of flavonoid aglycones, particularly quercetin and luteolin, as well as flavonoid glycosides, especially rutin and isoquercetin, were increased. Considering the quality attributes of bread enriched with Lonicera caerulea pomace, together with the associated increase in bioactive compounds, its proportion in wheat flour should not exceed 2%. Full article

(This article belongs to the Section Food Chemistry)

37 pages, 2123 KB

Open AccessReview

Progress in Hyaluronan-Based Nanoencapsulation Systems for Smart Drug Release and Medical Applications

by Katarína Valachová, Mohamed E. Hassan, Tamer M. Tamer and Ladislav Šoltés

Molecules 2025, 30(19), 3883; https://doi.org/10.3390/molecules30193883 - 25 Sep 2025

Abstract

Hyaluronan (HA), a high-molecular-weight polysaccharide naturally found in vertebrate tissues such as skin, joints, and the vitreous body, plays a critical role in various biological processes. Its functionality is highly dependent on molecular weight, with high-molecular-weight HA exhibiting anti-inflammatory and immunosuppressive effects, while [...] Read more.

Hyaluronan (HA), a high-molecular-weight polysaccharide naturally found in vertebrate tissues such as skin, joints, and the vitreous body, plays a critical role in various biological processes. Its functionality is highly dependent on molecular weight, with high-molecular-weight HA exhibiting anti-inflammatory and immunosuppressive effects, while low-molecular-weight HA promotes inflammation, immunostimulation, and angiogenesis. Due to its biocompatibility, biodegradability, and tunable properties, HA has gained increasing attention in biomedical applications. This review summarizes recent advances in the encapsulation of HA with other polymers and therapeutic agents in nanosystems, particularly hydrogels and nanoparticles. HA-based formulations demonstrate improved therapeutic outcomes, including drug release sustained up to 7 days, wound closure rates exceeding 90% in animal models, particle size in the range of 50–300 nm, and enhanced bioavailability of encapsulated drugs by 2–3 fold compared with free drugs. Such properties have shown promise in enhancing therapeutic efficacy and targeted drug delivery in the treatment of skin wound healing, diabetes, osteoarthritis, rheumatoid arthritis, and ophthalmic diseases. The review emphasizes how HA’s modifications and composite systems optimize drug release profiles and biological interactions, thereby contributing to the development of next-generation biomedical therapies. Full article

(This article belongs to the Special Issue Application of Chitosan and Hyaluronan)

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21 pages, 10119 KB

Open AccessArticle

hERG Channel Blockade and Antagonistic Interactions of Three Steroidal Alkaloids from Fritillaria Species

by Hui Lu, Tingting Hao, Zixuan Zhang, Chenxin Jiang, Jianwei Xu, Antony Stalin and Wei Zhao

Molecules 2025, 30(19), 3882; https://doi.org/10.3390/molecules30193882 - 25 Sep 2025

Abstract

The bulb of Fritillaria species called “Bei Mu” is a well-known traditional Chinese medicine. We have reported some potential off-target effects of “Bei Mu” due to peimine’s blockade of hERG (human Ether-a-go-go-Related Gene) channels. This research investigated the modulatory effects of three major [...] Read more.

The bulb of Fritillaria species called “Bei Mu” is a well-known traditional Chinese medicine. We have reported some potential off-target effects of “Bei Mu” due to peimine’s blockade of hERG (human Ether-a-go-go-Related Gene) channels. This research investigated the modulatory effects of three major alkaloid analogs of “Bei Mu” and their cooperative effects on hERG channels using manual whole-cell patch-clamp techniques. Results showed that peiminine and sipeimine blocked hERG currents with IC₅₀s of 36.8 ± 2.5 μM and 47.6 ± 9.8 μM, which were close to that of peimine (26.1 ± 3.5 μM). Peiminine-induced blockade increased with increasing depolarizing strengths, durations, and frequencies, which suggested a preferential binding to open or inactivated states. The reduced blockade by the less inactivating S631A mutation supported peiminine‘s inactivation preference. Molecular docking and dynamics simulations confirmed the hERG-blocking activities of the three alkaloids and provided further insight into potential mechanisms. We also discovered antagonistic effects of the three alkaloids at nearly all concentrations tested, which might help reduce potential cardiotoxicities. To our knowledge, this is the first study to investigate combination effects of chemicals from one herb on hERG channels. In conclusion, peiminine and sipeimine can block hERG channels in a way similar to peimine, but antagonistic effects exist among them. Full article

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29 pages, 3127 KB

Open AccessArticle

Ultrasound-Assisted Extraction of Spirulina platensis Carotenoids: Effect of Drying Methods and Performance of the Emerging Biosolvents 2-Methyltetrahydrofuran and Ethyl Lactate

by Elena Rodríguez-Rodríguez, Ángeles Morón-Ortiz, Paula Mapelli-Brahm, Cassamo U. Mussagy, Fabiane O. Farias, Begoña Olmedilla-Alonso and Antonio J. Meléndez-Martínez

Molecules 2025, 30(19), 3881; https://doi.org/10.3390/molecules30193881 - 25 Sep 2025

Abstract

Extracting bioactives from algae is essential for sustainable solutions aimed at enhancing human health. This study pioneers a multidimensional approach that simultaneously compares ultrasound-assisted carotenoid extraction from spray-dried (SD) and solar-dried (SolD) Spirulina platensis, evaluating both food-grade and emerging green biosolvents, validated [...] Read more.

Extracting bioactives from algae is essential for sustainable solutions aimed at enhancing human health. This study pioneers a multidimensional approach that simultaneously compares ultrasound-assisted carotenoid extraction from spray-dried (SD) and solar-dried (SolD) Spirulina platensis, evaluating both food-grade and emerging green biosolvents, validated through COSMO-SAC predictions and optimized using RSM. The SD sample showed higher carotenoid yields with most solvents, consistent with particle size data indicating less aggregation than SolD. Solvent efficacy varied depending on drying method and carotenoid type; acetone was optimal for zeaxanthin and β-carotene from SD and β-carotene from SolD, while methanol and ethanol were more effective for zeaxanthin in SolD. The green solvent 2-methyltetrahydrofuran (2-MeTHF) demonstrated excellent carotenoid affinity in COSMO-SAC predictions and ranked as the second most effective solvent in the SD sample, underscoring its potential as a sustainable alternative. RSM models using 2-MeTHF (SD) and ethanol (SolD) showed excellent prediction accuracy (R² > 98%). Optimized extraction conditions yielded ~4-fold higher total carotenoid recovery compared to non-optimized conditions. Combining computational tools and experiments offers an effective strategy to optimize sustainable extraction of health-promoting carotenoids from Spirulina. Full article

(This article belongs to the Special Issue Innovation in Green Extraction and Processing—a Themed Issue in Memory of Professor Farid Chemat for His Outstanding Contributions to Green Chemistry (1968–2023))

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24 pages, 2415 KB

Open AccessArticle

Antibacterial, Antifungal, and Wound-Healing Activities and Chemical Characterization of Propolis from Apis mellifera in Michoacan, Mexico

by Ana Bertha Hernandez-Hernandez, Mario Rodriguez-Canales, Pilar Dominguez-Verano, Uriel Nava-Solis, Marco Aurelio Rodriguez-Monroy and María Margarita Canales-Martinez

Molecules 2025, 30(19), 3880; https://doi.org/10.3390/molecules30193880 - 25 Sep 2025

Abstract

The aim of this study was to evaluate the antibacterial and antifungal activities, wound-healing efficacy, and chemical characteristics of hexanic, chloroformic, and methanolic extracts of propolis from Michoacan, Mexico. Antibacterial activity was determined using Gram-positive and Gram-negative bacteria, antifungal activity was determined using [...] Read more.

The aim of this study was to evaluate the antibacterial and antifungal activities, wound-healing efficacy, and chemical characteristics of hexanic, chloroformic, and methanolic extracts of propolis from Michoacan, Mexico. Antibacterial activity was determined using Gram-positive and Gram-negative bacteria, antifungal activity was determined using yeast and filamentous fungi and wound-healing efficacy was determined using the tensiometric and histological methods in mouse skin. Antioxidant capacity, phenols, and total flavonoids were quantified. Propolis was subjected to high-performance liquid chromatography (HPLC-DAD), high-performance liquid chromatography–mass spectrometry (HPLC-TOF-MS), and gas chromatography–mass spectrometry (GC-MS). The methanolic extract showed the best antibacterial activity, and the most sensitive bacteria was Staphylococcus aureus. For antifungal activity, yeasts and filamentous fungi showed sensitivity to the methanolic extract, with Candida albicans and Trichophyton mentagrophytes being the strains with the highest sensitivity to the extract. Regarding wound-healing efficacy, when using the tensiometric method, the methanolic extract presented the highest efficacy, surpassing the positive control (Recoveron). In the histological evaluation, the methanolic extract provided more resistance to the wound and demonstrated an antioxidant capacity of 12.23 µg/mL, a total phenolic content of 580 mg GAE/g, and a total flavonoid content of 12.35 mg QE/g. In the chemical analysis, flavanols, flavones, and flavanones were identified. Full article

(This article belongs to the Special Issue Bee Products: Recent Progress in Health Benefits Studies, 2nd Edition)

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17 pages, 5442 KB

Open AccessArticle

Solid-State Fermentation of Riceberry Rice with Mushroom Mycelium for Enhanced Beta-Glucan Production and Health Applications

by Jutamat Nacha, Hongyu Chen, Amorn Owatworakit, Kittirat Saharat, Anupong Makeudom and Sunita Chamyuang

Molecules 2025, 30(19), 3879; https://doi.org/10.3390/molecules30193879 - 25 Sep 2025

Abstract

Beta-glucans (β-glucans), polysaccharides found in cereals and fungi, are recognized for their prebiotic and potential anti-cancer activities, particularly in the colorectal area. This study aims to optimize the production of β-glucan through the solid-state fermentation of germinated Riceberry rice with Pleurotus ostreatus and [...] Read more.

Beta-glucans (β-glucans), polysaccharides found in cereals and fungi, are recognized for their prebiotic and potential anti-cancer activities, particularly in the colorectal area. This study aims to optimize the production of β-glucan through the solid-state fermentation of germinated Riceberry rice with Pleurotus ostreatus and evaluate the bioactivities of the resulting extract. The crude β-glucan extract, obtained with a recovery rate of 54.95% and 79.98% purity, demonstrated an effective extraction process, as confirmed by thermogravimetric analysis (TGA). Fourier-transform infrared spectroscopy (FTIR) analysis verified the presence of β-1,3/1,6-glycosidic linkages, characteristic of the bioactive β-glucans found in yeast and mushrooms. The biological assessment demonstrated the extract’s functional properties. At a concentration of 1 mg/mL, the crude β-glucan extract significantly promoted the growth of probiotics Lacticaseibacillus rhamnosus and Bacillus coagulans, exhibiting high Prebiotic Index (PI) values of 6.36 ± 0.72 and 115.70 ± 10.19, respectively, with PI values indicating strong prebiotic potential. For comparison, the standard prebiotic inulin yielded PI values of 0.41 ± 0.09 and 90.53 ± 2.28 for the same respective bacteria, highlighting the superior performance of the fungal-fermented β-glucan. Furthermore, the extract displayed efficacy in inhibiting colon cancer cells in preliminary in vitro tests. It reduced the viability of the SW480 colorectal cancer cell line by 66.23% and induced cell death in 27.94 ± 0.93% of the cells after 48 h of treatment, performing comparably to a commercial yeast β-glucan standard. Crucially, the extract showed no significant cytotoxicity toward the normal human colon cell line, CCD-841 CoN. These findings highlight the promising method of fungal solid-state fermentation on germinated Riceberry rice in the production of high-purity, bioactive β-glucans for use in functional foods. Full article

(This article belongs to the Special Issue New Development in Fermented Products—Third Edition)

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20 pages, 1707 KB

Open AccessArticle

A Grape-Derived Solvent for the Recovery of Phenolic Compounds from Food Waste By-Products Using Ultrasonic-Assisted and Overnight Extraction

by Dimitrios G. Lazaridis, Vassilios K. Karabagias, Nikolaos D. Andritsos, Aris E. Giannakas and Ioannis K. Karabagias

Molecules 2025, 30(19), 3878; https://doi.org/10.3390/molecules30193878 - 25 Sep 2025

Abstract

This present study aimed to investigate the recovery of polyphenols from red onion peel (OPP) and pomace of Merlot (MWP) and Syrah (SWP) grape varieties, using a common biphasic solvent (70/30 ethanol/water) and a new biphasic and eco-friendly solvent that has been developed [...] Read more.

This present study aimed to investigate the recovery of polyphenols from red onion peel (OPP) and pomace of Merlot (MWP) and Syrah (SWP) grape varieties, using a common biphasic solvent (70/30 ethanol/water) and a new biphasic and eco-friendly solvent that has been developed in our laboratory (ethanol of grape origin). Moreover, overnight and ultrasonic-assisted extractions were carried out to investigate whether the extraction method could affect the obtained results. Results showed that 70% ethanol achieved a significantly (p < 0.05) higher yield in total phenolic content (TPC) and total flavonoid content (TFC), while the extracts with ethanol of grape origin exhibited considerably higher antioxidant activity as evidenced by the DPPH and complementary by FRAP assays. The overnight and ultrasonic-assisted extraction played a significant (p < 0.05) role in achieving better extraction of bioactive components such as phenolic compounds. Color parameters were also determined, showing that the presence of yellow, blue and red color tones depend on the extraction method and solvent, due to the different compositional characteristics of pigments, mainly anthocyanins. In addition, physicochemical parameters such as pH and total soluble solids (TSSs) of the extracts were also measured. Finally, the composition of ethanol of grape origin was characterized by means of Ultraviolet–Visible (UV-Vis) and Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy, which confirmed the presence of ethanol and acetic acid. This study brings new results regarding the prospect of using new solvents for the recovery of bioactive compounds from agricultural by-products, and the development direction of scientific research or industrial production, based on ultrasonic-assisted and overnight extraction methods. Full article

(This article belongs to the Special Issue Advances in Physicochemical Properties of Innovative Food Products During Processing)

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15 pages, 2634 KB

Open AccessArticle

A Novel Polyacrylamide Film-Forming Agent for Maintaining Wellbore Stability

by Guoyan Ma, Wenjing Wei, Yanzhe Yang, Chao Hao, Yaru Zhang and Guoqiang Xu

Molecules 2025, 30(19), 3877; https://doi.org/10.3390/molecules30193877 - 25 Sep 2025

Abstract

A polyacrylamide-based film-forming agent was synthesized via free-radical copolymerization. FT-IR spectroscopy confirmed complete monomer conversion with no detectable residual unsaturation. Systematic variation of acrylamide (AM), vinyl acetate (VAc) and cellulose content revealed that an AM mass fraction of 3.7 wt%, a VAc:AM molar [...] Read more.

A polyacrylamide-based film-forming agent was synthesized via free-radical copolymerization. FT-IR spectroscopy confirmed complete monomer conversion with no detectable residual unsaturation. Systematic variation of acrylamide (AM), vinyl acetate (VAc) and cellulose content revealed that an AM mass fraction of 3.7 wt%, a VAc:AM molar ratio of 1:3 and a cellulose content of 1.6 wt% yielded an emulsion of maximal colloidal stability. Under these conditions, the agent formed coherent, moisture-resistant films that effectively encapsulated sodium-bentonite pellets, indicating its potential as an efficient inhibitor for maintaining well-bore stability during drilling operations. Full article

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20 pages, 1482 KB

Open AccessArticle

Bioactive Potential of Wild Plants from Gardunha Mountain: Phytochemical Characterization and Biological Activities

by Alexandra Coimbra, Eugenia Gallardo, Ângelo Luís, Pedro Dinis Gaspar, Susana Ferreira and Ana Paula Duarte

Molecules 2025, 30(19), 3876; https://doi.org/10.3390/molecules30193876 - 25 Sep 2025

Abstract

The plants used in folk medicine have been increasingly studied to identify their bioactive properties. Therefore, this study aimed to assess the bioactivity of the hydroethanolic extracts of plants collected in Gardunha Mountain, Portugal. Seven abundant and representative wild plants were studied: Cistus [...] Read more.

The plants used in folk medicine have been increasingly studied to identify their bioactive properties. Therefore, this study aimed to assess the bioactivity of the hydroethanolic extracts of plants collected in Gardunha Mountain, Portugal. Seven abundant and representative wild plants were studied: Cistus salviifolius, Clinopodium vulgare, Coincya monensis, Glandora prostrata, Helichrysum stoechas, Rubia peregrina, and Umbilicus rupestris. The phytochemical composition of the extracts was determined by UHPLC-timsTOF-MS and by spectrophotometric methods. The antioxidant, in vitro anti-inflammatory and antimicrobial activity and the biocompatibility of the extracts were tested. The extracts were predominantly composed of flavonoids and phenolic acids, such as gallic acid, neochlorogenic acid and quercetin glycosides. The C. salviifolius extracts demonstrated very strong antioxidant activity related to scavenging free radicals (AAI = 2.84 and 2.93). Regarding antimicrobial activity, the H. stoechas extract exhibited inhibitory effects, particularly against Gram-positive bacteria and yeasts (MIC = 0.008–0.5 mg/mL). The C. monensis, R. peregrina, and U. rupestris extracts showed low cytotoxicity (viability > 70%) in the highest concentration tested. These findings highlight C. salviifolius and H. stoechas as promising sources of novel bioactive compounds, particularly antimicrobials in controlling microbial growth and promoting associated health benefits, and underscore the value of traditional medicinal plants as a guide for pharmacological studies. Full article

(This article belongs to the Special Issue Extraction and Analysis of New Bioactive Compounds Derived from Natural Products, 2nd Edition)

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19 pages, 7596 KB

Open AccessArticle

A Novel Method of Coupling In Situ Time-Resolved FTIR and Microwave Irradiation: Application to the Monitoring of Quinoxaline Derivatives Synthesis

by Alina Cherniienko, Kacper Kossakowski, Lucjusz Zaprutko, Roman Lesyk, Dorota Olender and Anna Pawełczyk

Molecules 2025, 30(19), 3875; https://doi.org/10.3390/molecules30193875 - 25 Sep 2025

Abstract

Traditional synthetic methods, often limited by inefficiency, are increasingly being replaced by sustainable alternatives. This study presents a green approach combining microwave irradiation with in situ FTIR spectroscopy for real-time monitoring and optimising nitrogen-heterocycle synthesis, focusing on quinoxalines. Although both microwave-assisted synthesis and [...] Read more.

Traditional synthetic methods, often limited by inefficiency, are increasingly being replaced by sustainable alternatives. This study presents a green approach combining microwave irradiation with in situ FTIR spectroscopy for real-time monitoring and optimising nitrogen-heterocycle synthesis, focusing on quinoxalines. Although both microwave-assisted synthesis and time-resolved FTIR are established techniques, their combined application remains underexplored, limiting their synergistic potential. The methodology was applied to synthesising 2,3-diphenylquinoxaline, a compound of interest in medicinal chemistry. Optimisation of the condensation between benzil and 1,2-phenylenediamine was achieved by exploiting the accelerated kinetics of microwave irradiation and continuous monitoring via in situ FTIR. Three catalytic systems were evaluated—hydrochloric acid (Brønsted acid), Montmorillonite K10 (heterogeneous catalyst), and molecular iodine (halogen/Lewis acid)—alongside a range of solvents, including ethanol, methanol, water, acetonitrile, ethyl acetate, dimethyl sulfoxide, and dichloromethane. Iodine proved to be the most efficient catalyst, while acetonitrile and ethyl acetate provided the most effective solvent systems. This integrated monitoring strategy reduces reliance on trial-and-error optimisation and establishes a streamlined, scalable, and efficient protocol. The dual-technique approach highlights a versatile pathway for advancing green synthetic methodologies with applications across the chemical and pharmaceutical industries. Full article

(This article belongs to the Special Issue Heterocyclic Compounds: Synthesis, Application and Theoretical Study)

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2 pages, 134 KB

Open AccessCorrection

Correction: Haddad et al. Effect of Hottentotta judaicus Scorpion Venom on Nociceptive Response and Inflammatory Cytokines in Mice Using Experimental Hyperalgesia. Molecules 2025, 30, 2750

by Lara Haddad, Amira Chender, Rabih Roufayel, Claudine Accary, Adolfo Borges, Jean Marc Sabatier, Ziad Fajloun and Marc Karam

Molecules 2025, 30(19), 3874; https://doi.org/10.3390/molecules30193874 - 25 Sep 2025

Abstract

In the original publication [...] Full article

(This article belongs to the Special Issue Advances in European Medicinal Chemistry)

27 pages, 2942 KB

Open AccessReview

Clinical Potential of Essential Oils: Cytotoxicity, Selectivity Index, and Efficacy for Combating Gram-Positive ESKAPE Pathogens

by Biruk Bayleyegn Belete, Jerome Ozkan, Parthasarathi Kalaiselvan and Mark Willcox

Molecules 2025, 30(19), 3873; https://doi.org/10.3390/molecules30193873 - 24 Sep 2025

Abstract

(1) Background: Essential oils (EOs) have emerged as promising antibacterial agents due to their broad-spectrum activity and low risk of resistance development. Therefore, this review aimed to assess the effectiveness of EOs against Gram-positive ESKAPE pathogens, and to evaluate their safety and toxicity [...] Read more.

(1) Background: Essential oils (EOs) have emerged as promising antibacterial agents due to their broad-spectrum activity and low risk of resistance development. Therefore, this review aimed to assess the effectiveness of EOs against Gram-positive ESKAPE pathogens, and to evaluate their safety and toxicity in mammalian cells. (2) Methods: A comprehensive search was conducted in PubMed, Scopus, and Web of Science. (3) Results: Heracleum pyrenaicum exhibited the most potent effect, with a MIC of 0.02–0.04 µg/mL and a selectivity index ranging from 251.3 to 2006.5, indicating high selective toxicity toward bacterial cells over mammalian cells. In contrast, certain species such as Cannabis sp. and Citrus sp. had selectivity indices of <1, indicating toxicity to mammalian cells. Ocimum basilicum showed good efficacy against methicillin-resistant S. aureus (MRSA), with a selectivity index of 23.4–34.9, while Satureja nabateorum demonstrated potent activity against E. faecium, with a selectivity index of 65.6–87.2. (4) Conclusions: EOs from Heracleum, Eucalyptus, Cinnamomum, Mentha, Thymus, and Syzygium aromaticum had good efficacy and high safety margins and show a potential for development for treating Gram-positive ESKAPE pathogen infections. However, EOs with a narrow safety margin (selectivity index < 10) raise concerns and warrant further in vivo and clinical trials to better understand their therapeutic windows and potential adverse effects. Full article

(This article belongs to the Special Issue Featured Review on Essential Oils)

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15 pages, 1842 KB

Open AccessArticle

PtBiCoAgSn Multi-Component Alloy Electrocatalysts Enhancing the Oxidation of Ethylene Glycol to Value-Added C2 Products

by Si-Tong Chen, Lin Wang, Hai-En Hou, Kang-Shuo Wang, Zhou Lan, Yao-Yue Yang and Wen-Bin Cai

Molecules 2025, 30(19), 3872; https://doi.org/10.3390/molecules30193872 - 24 Sep 2025

Abstract

Ethylene glycol oxidation (EGOR) transforms waste plastic-derived chemicals into high-value products, representing an upcycling strategy that enhances resource efficiency. Pt-based electrocatalysts have shown promise for oxidizing ethylene glycol (EG) to high-value glycolic acid (GA), but they still suffer from high Pt usage, limited [...] Read more.

Ethylene glycol oxidation (EGOR) transforms waste plastic-derived chemicals into high-value products, representing an upcycling strategy that enhances resource efficiency. Pt-based electrocatalysts have shown promise for oxidizing ethylene glycol (EG) to high-value glycolic acid (GA), but they still suffer from high Pt usage, limited activity and stability, and poor low-potential selectivity. In this work, we report a highly dispersed PtBiCoAgSn multi-component alloy (MCA) electrocatalyst (denoted as MCA-PtBiCoAgSn) with outstanding catalytic activity and deactivation resistance, demonstrating a remarkable EGOR mass activity of 16.65 A

{mg}_{Pt}^{- 1}

at 0.76 V vs. RHE, which is 8-fold higher than that of commercial Pt/C (2.03 A

{mg}_{Pt}^{- 1}

). Also, it can maintain an EGOR current density of 4.89 A

{mg}_{Pt}^{- 1}

after an extended long-term stability test. Additionally, it shows superior Faradaic efficiency (FE) for C2 products compared to Pt/C across the potential window of 0.5~0.9 V vs. RHE, with the FE of GA being up to 91% at a very low potential of 0.5 V vs. RHE. Moreover, in situ electrochemical infrared spectroscopy in a thin-layer configuration confirmed that EGOR proceeds via the C2 pathway on MCA-PtBiCoAgSn surfaces. This work may provide new insights into the design of high-efficiency and low-cost EGOR catalysts. Full article

(This article belongs to the Section Electrochemistry)

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19 pages, 2428 KB

Open AccessArticle

The Regulation of the Albomycin and Desferrioxamine E Biosynthesis in Streptomyces globisporus bja209

by Julia A. Buyuklyan, Mikhail V. Biryukov, Yulia V. Zakalyukina and Artemy A. Sacharov

Molecules 2025, 30(19), 3871; https://doi.org/10.3390/molecules30193871 (registering DOI) - 24 Sep 2025

Abstract

We identified Streptomyces globisporus bja209 through a targeted screen of actinomycetes from natural habitats using an E. coli JW5503 ΔtolC DualRep2(c) reporter strain. This strain produced antibacterial compounds whose action depended on the growth medium. HPLC-MS and genomic analysis revealed two metabolites: albomycin [...] Read more.

We identified Streptomyces globisporus bja209 through a targeted screen of actinomycetes from natural habitats using an E. coli JW5503 ΔtolC DualRep2(c) reporter strain. This strain produced antibacterial compounds whose action depended on the growth medium. HPLC-MS and genomic analysis revealed two metabolites: albomycin δ2 (a translation inhibitor) and desferrioxamine E. The latter induced the SOS response. Desferrioxamine E exhibited a narrow spectrum of antagonistic activity against carbapenem-resistant A. baumannii and C. michiganensis, and its production was critically regulated by iron concentration. Notably, the structurally similar desferrioxamine B was inactive. Contrary to previous reports, pangenome analysis of published GenBank genomes revealed that albomycin BGC is restricted to specific S. globisporus strains and not present in other Streptomycetes phylogenetic clades. The C-1027 BGC was found in a large linear plasmid (165.5 kb) of the S. globisporus bja209 strain and also found exclusively on linear plasmids in some of the published S. globisporus genomes. Full article

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12 pages, 1038 KB

Open AccessArticle

Extraction and Identification of the Bioactive Metabolites Produced by Curvularia inaequalis, an Endophytic Fungus Collected in Iran from Echium khuzistanicum Mozaff

by Maryam Besharati, Maria Letizia Ciavatta, Marianna Carbone, Nadia Cacciapuoti, Martina Aversa, Emanuela Roscetto, Stefany Castaldi, Giancarlo Perrone, Angela Boari, Katia Gialluisi, Maria Rosaria Catania, Sayed Ali Moosawi-Jorf and Antonio Evidente

Molecules 2025, 30(19), 3870; https://doi.org/10.3390/molecules30193870 - 24 Sep 2025

Abstract

Endophytic fungi (EF) are microorganisms that colonize the internal tissues of host plants, providing a range of benefits to them. In this symbiosis, they act as a reservoir of bioactive metabolites that are important for enhancing the host’s defense mechanisms as a resistance [...] Read more.

Endophytic fungi (EF) are microorganisms that colonize the internal tissues of host plants, providing a range of benefits to them. In this symbiosis, they act as a reservoir of bioactive metabolites that are important for enhancing the host’s defense mechanisms as a resistance against pathogens. These molecules usually possess antimicrobial properties that can be exploited for application in agriculture and medicine. In this context, the current work was designed to evaluate the phytotoxic and antimicrobial properties of the endophytic fungus Curvularia inaequalis, isolated for the first time from the Iranian medicinal plant Echium khuzistanicum. Culture filtrates, their organic extracts, and isolated metabolites were tested against a series of plants to assess their phytotoxicity, as well as against a wide range of plant and human pathogens to evaluate their antimicrobial activity. The main compounds characterizing the organic extract of C. inaequalis have been identified as (R)-phomalactone, catenioblin A, and (-) asperpentyn (1–3) by using spectroscopic techniques, NMR mainly, and HR-ESI-MS. In the bioactivity evaluation carried out in this study, (R)-phomalactone (1) stood out as the most promising compound, exhibiting significant non-host phytotoxic activity on tomato leaves; potent antibacterial activity against a wide range of human pathogens, including methicillin-resistant Staphylococcus aureus (MRSA) strains; and marked antifungal activity against several economically important phytopathogens. (–)-Asperpentyn (3) also showed robust and selective antifungal activity against phytopathogens, while catenioblin A (2) exhibited only a slight phytotoxic effect and limited overall bioactivity in this study. These findings reveal that the isolated endophytic fungi hold considerable promise as an untapped source of bioactive metabolites with antibacterial, antifungal, and phytotoxic activities. Full article

(This article belongs to the Special Issue Advances in Extraction, Biological Activity of Natural Products and Their Derivatives)

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19 pages, 2091 KB

Open AccessReview

Recent Advances in Bioactive Compounds, Health Functions, and Utilization of Rose (Rosa spp.)

by Xinxin Zhao, Yuqin Jiang, Mingfeng Qiao, Fangjun Lin and Baohe Miao

Molecules 2025, 30(19), 3869; https://doi.org/10.3390/molecules30193869 - 24 Sep 2025

Abstract

Our review systematically outlines the bioactivity and industrial applications of key functional compounds in roses, with a particular focus on their potential in food and pharmaceutical industries from technical, economic, and commercialization perspectives. We summarize the evidence supporting the efficacy of rose-derived polyphenols, [...] Read more.

Our review systematically outlines the bioactivity and industrial applications of key functional compounds in roses, with a particular focus on their potential in food and pharmaceutical industries from technical, economic, and commercialization perspectives. We summarize the evidence supporting the efficacy of rose-derived polyphenols, flavonoids, and essential oils in areas including antioxidant, anti-inflammatory, antibacterial, and neuroprotective effects, which provide a scientific basis for their use in functional foods and preventive medicines. We further evaluated the commercial viability of processing rose by-products. Additionally, we analyze current and potential applications of rose bioactive compounds in natural food preservatives, functional dietary supplements, herbal medicines, and cosmetic products. Finally, we discuss the remaining challenges and future directions for the industrial utilization of roses, including standardization, efficacy validation in humans, and scalable economic models, to facilitate the transition from experimental research to commercially sustainable applications. Full article

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30 pages, 3245 KB

Open AccessArticle

The Effect of Organic Materials on the Response of the Soil Microbiome to Bisphenol A

by Magdalena Zaborowska, Jadwiga Wyszkowska, Mirosława Słaba, Agata Borowik, Jan Kucharski and Przemysław Bernat

Molecules 2025, 30(19), 3868; https://doi.org/10.3390/molecules30193868 - 24 Sep 2025

Abstract

In view of the increasing environmental pollution caused by bisphenol A (BPA), understanding its impact on the microbiological properties of soil, which play a key role in maintaining soil fertility and consequently ecosystem stability, is particularly important. Therefore, the aim of this study [...] Read more.

In view of the increasing environmental pollution caused by bisphenol A (BPA), understanding its impact on the microbiological properties of soil, which play a key role in maintaining soil fertility and consequently ecosystem stability, is particularly important. Therefore, the aim of this study was to assess the sensitivity of the soil microbiome to this xenobiotic and to evaluate the potential of organic materials such as starch (St), grass compost (Co), and fermented bark (B) to restore the balance of soil cultivated with Zea mays. The negative effects of BPA on the abundance, diversity, and structure of bacterial and fungal communities in soil contaminated with 500 and 1000 mg kg⁻¹ d.m. of soil were confirmed. Changes in the phospholipid profile, including phosphatidylethanolamine (PE), phosphatidylcholine (PC), phosphatidylglycerol (PG), and ergosterol (E), were also assessed. BPA applied at 1000 mg kg⁻¹ d.m. of soil inhibited the proliferation of organotrophic bacteria and actinomycetes, while stimulating fungal growth. This xenobiotic’s impact is also reflected by a decrease in PC and PG levels in soil under BPA pressure. Through amplification of the V3-V4 16S rRNA region (for bacteria) and the ITS1 region (for fungi), the dominant bacterial phylum Proteobacteria was identified, with genera including Cellulosimicrobium, Caulobacter, Rhodanobacter, Sphingomonas, Mucilaginibacter, and Pseudomonas. Among fungi, Ascomycota dominated, primarily represented by the genus Penicillium. Of all the organic materials tested for mitigating BPA’s negative effects, grass compost was identified as the most promising, not only restoring soil homeostasis but also enhancing the growth and development of Zea mays cultivated in BPA-contaminated soil. Full article

(This article belongs to the Special Issue Bio-Based and Natural Compounds: A Sustainable Approach for an Environmental Transition)

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15 pages, 3630 KB

Open AccessArticle

Scutellarein Protects Against UVB-Induced Skin Injury in a Mouse Model

by Yue Sun, Pengfei Zhang, Fang Yang, Wang Zhang, Gaofu Li, Lei Zhou, Tiantian Xia, Yue Gao and Wei Zhou

Molecules 2025, 30(19), 3867; https://doi.org/10.3390/molecules30193867 - 24 Sep 2025

Abstract

UVB radiation penetrates the epidermis and upper dermis, compromising skin barrier function. This activates pro-inflammatory cells, releasing mediators (e.g., histamine, interleukins) that induce edema. UVB also generates excessive reactive oxygen species (ROS), causing oxidative stress in skin cells. Although the mechanisms of UV-induced [...] Read more.

UVB radiation penetrates the epidermis and upper dermis, compromising skin barrier function. This activates pro-inflammatory cells, releasing mediators (e.g., histamine, interleukins) that induce edema. UVB also generates excessive reactive oxygen species (ROS), causing oxidative stress in skin cells. Although the mechanisms of UV-induced skin damage have been extensively studied, the development of effective UV-protective drugs remains a significant challenge. Scutellarin, a flavonoid glycoside predominantly isolated from Erigeron breviscapus, has demonstrated diverse bioactivities including anti-inflammatory, antioxidant, and anti-tumor effects. However, its role in UVB-induced skin damage has not been fully explored. Therefore, we established a UVB-induced skin damage model in mice by irradiating the dorsal skin with a dose of 300 mJ/cm² UVB. Through measurements of transepidermal water loss, detection of barrier-related proteins, assessment of inflammatory factors, and evaluation of oxidative stress indicators, we found that scutellarin can maintain barrier integrity, reduce skin edema, suppress inflammatory responses, and decrease oxidative stress. Moreover, RNA sequencing of mice skin revealed that scutellarin can modulate inflammatory responses and maintain extracellular matrix homeostasis to alleviate skin damage. These findings suggest that scutellarin is a natural compound with potential for UV-protective effects on the skin. Full article

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19 pages, 1704 KB

Open AccessReview

Unraveling Mechanisms of Enzymatic Browning in Nuts and Their Relationship with Pre- and Post-Harvest Factors: Management Strategies for Mitigation

by Gabriela Gavilán-CuiCui, Ricardo Lagos-Muñoz, Felix Miguel Ellena, Antonio Di Matteo, Filis Morina and Cristian Meriño-Gergichevich

Molecules 2025, 30(19), 3866; https://doi.org/10.3390/molecules30193866 - 24 Sep 2025

Abstract

Enzymatic browning (EB) is a physiological alteration that compromises the sensory and commercial quality of tree nuts, significantly reducing their market value and functional compound content. Due to its complexity and economic impact, this review compiles updated information on mechanisms and factors driving [...] Read more.

Enzymatic browning (EB) is a physiological alteration that compromises the sensory and commercial quality of tree nuts, significantly reducing their market value and functional compound content. Due to its complexity and economic impact, this review compiles updated information on mechanisms and factors driving EB in tree nut species, as well as strategies for its prevention. The EB in tree nuts results from the oxidation of phenolic compounds (PCs) to brown pigments. This process is driven by enzymatic activity such as polyphenol oxidase (PPO), peroxidase (POD), and phenylalanine ammonium lyase (PAL) and strongly enhanced by cellular stress and associated regulation of gene expression. The EB has been documented in several tree nut species, including almonds, betel nuts, chestnuts, hazelnuts, macadamias, pecans, pistachios, and walnuts. This alteration developed both pre-harvest and post-harvest and was influenced by agronomic factors (such as cultivar, nutritional status, climatic conditions, and altitude) and handling (including shelling, storage, and processing). Mitigation strategies include the use of synthetic inhibitors, physical treatments, and the use of plant extracts rich in natural antioxidants, the latter perceived as more sustainable and safer alternatives. Full article

(This article belongs to the Topic Natural Bioactive Compounds as a Promising Approach to Mitigating Oxidative Stress)

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28 pages, 2183 KB

Open AccessReview

Salidroside: A Potential Drug Candidate to Treat Rheumatoid Arthritis

by Jiaying Guo, Shan Jiang, Mei Liu, Min Wang, Beibei Han, Ning Zhang, Yumei Liao, Yinhong Xiang, Jianxin Liu and Huifeng Sun

Molecules 2025, 30(19), 3865; https://doi.org/10.3390/molecules30193865 - 24 Sep 2025

Abstract

Rheumatoid arthritis (RA) is a widespread autoimmune disease that significantly impacts the lives of RA patients. It is often typified as swelling and deformation of small joints, as well as systemic inflammation. Rhodiola rosea has been utilized for millennia to treat various ailments [...] Read more.

Rheumatoid arthritis (RA) is a widespread autoimmune disease that significantly impacts the lives of RA patients. It is often typified as swelling and deformation of small joints, as well as systemic inflammation. Rhodiola rosea has been utilized for millennia to treat various ailments and is known to contain numerous active compounds, including saponins, volatile oils, coumarins, and flavonoids. Recent studies have underscored the pivotal role of salidroside (SAL), a key constituent of Rhodiola rosea L. Modern research indicates that SAL has various pharmacological activities, such as its antioxidant, anti-inflammatory, anti-fatigue, and anti-cancer effects. Despite this, the pathogenesis of RA remains highly complex, and a notable lack exists in overview studies investigating the anti-RA mechanisms of SAL. Therefore, the purpose of this article is to review the present research efforts on the anti-RA mechanisms of SAL and to explore future research prospects for this compound. Full article

(This article belongs to the Special Issue Research on Chemical Composition and Activity of Natural Products, 2nd Edition)

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17 pages, 304 KB

Open AccessArticle

Influence of Freeze- and Spray Drying with Carrier Agents on Alkamides, Antioxidant Properties, and Process Contaminants in Echinacea purpurea Root Extract Powders

by Mariusz Kułaga, Klaudia Masztalerz, Jessica Brzezowska and Anna Michalska-Ciechanowska

Molecules 2025, 30(19), 3864; https://doi.org/10.3390/molecules30193864 - 24 Sep 2025

Abstract

Echinacea purpurea (L.) Moench root is a rich source of alkamides and other bioactive compounds with potential health-promoting effects. This study aimed to evaluate the influence of drying technique and carrier type on alkamide content, antioxidant properties, and process contaminants in E. purpurea [...] Read more.

Echinacea purpurea (L.) Moench root is a rich source of alkamides and other bioactive compounds with potential health-promoting effects. This study aimed to evaluate the influence of drying technique and carrier type on alkamide content, antioxidant properties, and process contaminants in E. purpurea powders. Root extracts were subjected to freeze-drying or spray drying at air inlet temperatures of 150, 170, and 190 °C, with maltodextrin, pea protein isolate, or their blend used as carrier agents. The resulting powders were analyzed for physical and chemical properties, including alkamides concentration, total phenolics content, antioxidant capacity, free amino group levels, and markers of advanced Maillard reaction products. Spray-dried powders had a moisture content lower than 2.3%, compared with an average of 7.7% in freeze-dried samples. Spray drying at 150 and 170 °C combined with the maltodextrin–pea protein blend resulted in the highest alkamide levels, while total phenolics content and antioxidant capacity were retained at levels comparable to freeze-drying. Neither hydroxymethyl-L-furfural nor furfural was detected via HPLC in any sample. Overall, spray drying under the tested conditions represents a favorable alternative to freeze drying, yielding E. purpurea root extracts powders with higher alkamides content, similar antioxidant properties, and absence of process contaminants. Full article

(This article belongs to the Section Food Chemistry)

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11 pages, 1743 KB

Open AccessArticle

Probing Cold Supersonic Jets with Optical Frequency Combs

by Romain Dubroeucq, Quentin Le Mignon, Julien Lecomte, Nicolas Suas-David, Robert Georges and Lucile Rutkowski

Molecules 2025, 30(19), 3863; https://doi.org/10.3390/molecules30193863 - 24 Sep 2025

Abstract

We report high-resolution, cavity-enhanced direct frequency comb Fourier transform spectroscopy of cold acetylene (C₂H₂) molecules in a planar supersonic jet expansion. The experiment is based on a near-infrared frequency comb with a 300 MHz effective repetition rate, matched to [...] Read more.

We report high-resolution, cavity-enhanced direct frequency comb Fourier transform spectroscopy of cold acetylene (C₂H₂) molecules in a planar supersonic jet expansion. The experiment is based on a near-infrared frequency comb with a 300 MHz effective repetition rate, matched to a high-finesse enhancement cavity traversing the jet. The rotational and translational cooling of acetylene was achieved via expansion in argon carrier gas through a slit nozzle. By interleaving successive mode-resolved spectra measured at different comb repetition rates, we retrieved full absorption line profiles. Spectroscopic analysis reveals sharp, Doppler-limited transitions corresponding to a jet core rotational temperature below 7 K. Frequency comb and cavity stabilization were achieved through active Pound–Drever–Hall locking and mechanical vibration damping, enabling a spectral precision better than 2 MHz, limited by the vibrations induced by the pumping system. The demonstrated sensitivity reaches a minimum detectable absorption of 7.8 × 10⁻⁷ cm⁻¹ over an 18 m effective path length in the jet core. This work illustrates the potential of cavity-enhanced direct frequency comb spectroscopy for precise spectroscopic characterization of cold supersonic expansions, with implications for studies in molecular dynamics, reaction kinetics, and laboratory astrophysics. Full article

(This article belongs to the Special Issue Molecular Spectroscopy and Molecular Structure in Europe)

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17 pages, 3898 KB

Open AccessReview

The Versatility of NADES Across Applications

by David S. Freitas, Artur Ribeiro, Artur Cavaco-Paulo and Carla Silva

Molecules 2025, 30(19), 3862; https://doi.org/10.3390/molecules30193862 - 24 Sep 2025

Abstract

Natural deep eutectic solvents (NADES) are produced by combining natural compounds, such as sugars, amino acids, or organic acids, to form a liquid at room temperature. Compared to other solvents, NADES own several strengths, including cost-effectiveness, ease of preparation, tunable properties, biorenewability, and [...] Read more.

Natural deep eutectic solvents (NADES) are produced by combining natural compounds, such as sugars, amino acids, or organic acids, to form a liquid at room temperature. Compared to other solvents, NADES own several strengths, including cost-effectiveness, ease of preparation, tunable properties, biorenewability, and biodegradability, making them suitable for a wide range of industrial sectors. Research on NADES requires careful consideration of their composition and physicochemical properties, as these can significantly influence their range of applications. In this context, the main objective of this review is to provide insights into the application of NADES in different areas that go from enzymatic processes and extraction of bioactives to the formulation of pharmaceutical and cosmetic products. This review includes several case studies on the use of enzyme–NADES systems (lipase and laccase) to synthesize new materials and on the extraction of bioactives with NADES, highlighting their direct application in cosmetics and pharmaceutical formulations. Full article

(This article belongs to the Special Issue Deep Eutectic Solvents for the Extraction of Bioactive Compounds from Natural Sources)

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11 pages, 1440 KB

Open AccessArticle

Reactivity and Stereoselectivity in the Inverse-Electron-Demand Diels–Alder Reaction of 1-Aza-1,3-Butadiene

by Ken Sakata, Yui Go and Takeshi Yoshikawa

Molecules 2025, 30(19), 3861; https://doi.org/10.3390/molecules30193861 - 24 Sep 2025

Abstract

The reactivity and stereoselectivity in the inverse-electron-demand Diels–Alder reaction between 4-methoxycarbonyl-N-(phenylsulfonyl)-1-aza-1,3-butadiene and methoxyethene was examined using density functional theory (DFT) calculations at the M06-2X level. The formation of the two bonds in this reaction was calculated to be asynchronous. The formation [...] Read more.

The reactivity and stereoselectivity in the inverse-electron-demand Diels–Alder reaction between 4-methoxycarbonyl-N-(phenylsulfonyl)-1-aza-1,3-butadiene and methoxyethene was examined using density functional theory (DFT) calculations at the M06-2X level. The formation of the two bonds in this reaction was calculated to be asynchronous. The formation of the C−C bond occurs first and is driven by electron delocalization from the dienophile to the diene, a process which simultaneously governs the regioselectivity. Moreover, the endo selectivity of the reaction was found to arise from non-bonding-orbital interactions, electrostatic attractions, and dispersion interactions. The sulfonyl group attached to the diene influences the selectivity and the reactivity. In contrast, when a methoxycarbonyl group is attached to the diene, it affects the selectivity in a different way depending on the position where it is attached. Full article

(This article belongs to the Special Issue Fundamental Concepts and Recent Developments in Chemical Bonding)

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32 pages, 4256 KB

Open AccessReview

Mycotoxin Contamination: Occurrence, Biotransformation, Pathogenic Mechanisms, and Strategies for Nutritional Intervention

by Chenyu Yao, Mengyu Ye, Cong Wang, Lin Zou, Ximeng Zhang, Xin Chai, Huijuan Yu, Chengyu Zhang and Yuefei Wang

Molecules 2025, 30(19), 3860; https://doi.org/10.3390/molecules30193860 - 23 Sep 2025

Abstract

Mycotoxins, toxic fungal secondary metabolites, exhibit a diverse array of toxicological effects, including hepatotoxicity, carcinogenicity, estrogenicity, immunotoxicity, and neurotoxicity. These toxins cause severe contamination in food, feed, and traditional Chinese medicines (TCMs), threatening global food security and imposing substantial economic burdens. Among over [...] Read more.

Mycotoxins, toxic fungal secondary metabolites, exhibit a diverse array of toxicological effects, including hepatotoxicity, carcinogenicity, estrogenicity, immunotoxicity, and neurotoxicity. These toxins cause severe contamination in food, feed, and traditional Chinese medicines (TCMs), threatening global food security and imposing substantial economic burdens. Among over 400 distinct mycotoxins identified to date, aflatoxin B1 (AFB1), ochratoxin A (OTA), and zearalenone (ZEN) stand out for their pervasive contamination and grave toxicities. Upon absorption, these toxins undergo biotransformation into reactive metabolites that exert multifaceted toxicities via mechanisms such as carcinogenesis, estrogenic effects, oxidative stress, inflammation, and abnormal apoptosis, collectively threatening human and livestock health. The application of natural and engineered enterosorbents suppresses intestinal absorption and subsequent bioactivation of mycotoxins, while dietary small-molecule bioactive compounds neutralize post-absorption toxicity via biotransformation intervention and cytoprotective reinforcement, collectively preventing the onset and progression of related diseases. This paper reviews the biosynthetic routes of three representative mycotoxins (AFB1, OTA, and ZEN), along with their biotransformation and underlying pathogenic mechanisms. Furthermore, nutritional intervention approaches targeting the underlying mechanisms to ameliorate mycotoxin-induced damage are discussed. This review not only provides valuable insights for future research on mycotoxin toxicity, but also establishes a theoretical foundation for utilizing dietary strategies to counteract mycotoxin-induced physical damage. Full article

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12 pages, 1141 KB

Open AccessArticle

Development of a Validated High-Performance Thin-Layer Chromatography (HPTLC) Analysis Protocol for Salivary Caffeine Used as a Probe Drug

by K. M. Yasif Kayes Sikdar, Ahmed Shalan, Vincent Castejon, Carly Chambers, Samara Renae Coverley, Okhee Yoo, Md Khairul Islam, Tomislav Sostaric, Lee Yong Lim, Philip Burcham and Cornelia Locher

Molecules 2025, 30(19), 3859; https://doi.org/10.3390/molecules30193859 - 23 Sep 2025

Abstract

CYP1A2 activity plays a critical role in the metabolism of drugs such as caffeine, clozapine, propranolol, and warfarin. In pharmacogenomic studies, caffeine is a probe drug of choice for CYP1A2 phenotyping. Due to the non-invasive nature of sampling, saliva is an alternative biofluid [...] Read more.

CYP1A2 activity plays a critical role in the metabolism of drugs such as caffeine, clozapine, propranolol, and warfarin. In pharmacogenomic studies, caffeine is a probe drug of choice for CYP1A2 phenotyping. Due to the non-invasive nature of sampling, saliva is an alternative biofluid to plasma for monitoring caffeine levels. This study reports on a validated HPTLC method for quantifying salivary caffeine levels, which can support future studies on CYP1A2 phenotyping employing caffeine as a probe drug. The HPTLC method, using silica gel 60 F254 plates and acetone/toluene/chloroform (4:3:3, v/v/v) as the mobile phase, has detection and quantification limits of 2.42 and 7.34 ng/band, respectively. An optimised saliva processing protocol using a 1:1 dilution with methanol was also established. Five saliva sample sets collected 0–4 h after ingestion of 100 mg caffeine were analysed using the developed and validated HPTLC method, which demonstrated that salivary caffeine concentrations peak around 1 h post ingestion and then gradually decrease over the study period. Thus, the developed HPTLC method can be used to analyse caffeine levels in saliva and to support CYP1A2 phenotyping using caffeine as a probe drug. Full article

(This article belongs to the Special Issue Recent Advances in Chromatography for Pharmaceutical Analysis)

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24 pages, 1806 KB

Open AccessReview

Exosomal MicroRNA: Diagnostic Potential and Role in Breast Cancer Dissemination

by Svetlana Tamkovich, Alexandra Borisova, Andrey Shevela, Alexander Chernyavskiy and Alyona Chernyshovа

Molecules 2025, 30(19), 3858; https://doi.org/10.3390/molecules30193858 - 23 Sep 2025

Abstract

Liquid biopsy, which analyzes tumor secretomes in biological fluids, allows us to not only diagnose cancer, but also evaluate the effectiveness of antitumor therapy, predict the prognosis of the disease, and select targeted therapy. One of the promising sources for identifying tumor markers [...] Read more.

Liquid biopsy, which analyzes tumor secretomes in biological fluids, allows us to not only diagnose cancer, but also evaluate the effectiveness of antitumor therapy, predict the prognosis of the disease, and select targeted therapy. One of the promising sources for identifying tumor markers using liquid biopsy is exosomes—small extracellular vesicles (sEVs) (30–150 nm in size) that are secreted by all types of cells, including tumor cells, to exchange information. It is known that during the maturation process, mainly biologically active proteins and non-coding RNA are packaged into exosomes, and tumor cells secrete significantly more exosomes than normal cells. Taking into account the involvement of microRNAs in the mechanisms of carcinogenesis, their high stability in EVs, and ease of detection, exosomal microRNAs are the most promising tumor markers for creating panels that can serve as a guide both for clarifying diagnostics and for making therapeutic decisions on effective cancer treatment, including breast cancer (BC). The purpose of this review is to summarize information on the shortcomings of modern methods for diagnosing early BC, the involvement of exosomal microRNAs in BC dissemination (impact on the immune system, epithelial–mesenchymal transition, proliferation, invasion, migration, angiogenesis, and metastasis), and the high diagnostic potential of exosomal microRNAs for detecting early BC. Full article

(This article belongs to the Topic Liquid Biopsy: A Modern Method Transforming Biomedicine)

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