Molecules

28 pages, 3894 KB

Open AccessArticle

Novel 5-Aryl-[1,2,4]triazoloquinazoline Fluorophores: Synthesis, Comparative Studies of the Optical Properties and ICT-Based Sensing Application

by Alexandra E. Kopotilova, Julia V. Permyakova, Ekaterina S. Starnovskaya, Tatyana N. Moshkina, Alexander S. Novikov, Pavel A. Slepukhin and Emiliya V. Nosova

Molecules 2025, 30(22), 4420; https://doi.org/10.3390/molecules30224420 (registering DOI) - 15 Nov 2025

Abstract

Novel tricyclic fluorophores were obtained from 2-aryl-[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-ones through chlorodesoxygenation and subsequent Suzuki–Imamura cross-coupling reactions. Their π-extended analogues were synthesized from 5-(4-bromophenyl)-[1,2,4]triazoloquinazolines. The structure of target fluorophores was confirmed by X-ray single crystal diffraction. Photophysical properties in solutions and solid state were [...] Read more.

Novel tricyclic fluorophores were obtained from 2-aryl-[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-ones through chlorodesoxygenation and subsequent Suzuki–Imamura cross-coupling reactions. Their π-extended analogues were synthesized from 5-(4-bromophenyl)-[1,2,4]triazoloquinazolines. The structure of target fluorophores was confirmed by X-ray single crystal diffraction. Photophysical properties in solutions and solid state were studied. 5-Aminoaryl-substituted [1,2,4]triazolo[1,5-c]quinazolines revealed bright blue fluorescence in toluene (Φ_F > 95%), which can be tuned by solvent polarity, the electronic nature and rigidity of the donor fragment, the π-spacer length, and the annelation pattern. Intramolecular charge transfer (ICT) behaviour was demonstrated using both experimental and theoretical data. Distinct acid-induced spectral and fluorescence changes upon protonation were observed for diethylamino-containing derivatives, indicating their potential applicability as dual-mode (polarity and pH) molecular sensors. Full article

(This article belongs to the Special Issue Synthetic Studies Aimed at Heterocyclic Organic Compounds, 2nd Edition)

► Show Figures

Graphical abstract

20 pages, 18259 KB

Open AccessArticle

Bee Venom Melittin Modulates In Vivo Water Permeability of Red Blood Cells: Microscopic and ¹H-NMR Data

by Ștefana Bâlici, Adrian Florea, Ameen Ibrahim Al-Hajaj, Alin-Dan Chiorean and Gheorghe Zsolt Nicula

Molecules 2025, 30(22), 4419; https://doi.org/10.3390/molecules30224419 (registering DOI) - 15 Nov 2025

Abstract

Bee venom (BV) molecules, including melittin (Mlt), are known to modify the permeability of membranes. This paper assessed red blood cell (RBC) shape (by phase contrast microscopy) in relation to some of the parameters (haematology data) and calculated the RBC membranes’ water diffusional [...] Read more.

Bee venom (BV) molecules, including melittin (Mlt), are known to modify the permeability of membranes. This paper assessed red blood cell (RBC) shape (by phase contrast microscopy) in relation to some of the parameters (haematology data) and calculated the RBC membranes’ water diffusional permeability (P_d) with ¹H-NMR spectroscopy. Rats were injected for 30 days with either small daily doses of BV (VST) or Mlt (MST) or with high single doses of BV (VSLT) or Mlt (MSLT). The RBCs displayed aberrant shapes, all of the analysed parameters significantly changed, and the values of P_d were higher (and increased with temperature) in all of the treated groups compared to the control group. The RBCs in the venom-treated groups had the highest mean values (expressed in cm × s⁻¹ × 10³) of P_d at 37 °C—8.95 in the VSLT group and 8.69 in the VST group—which were followed by the MST and MSLT groups and the control group. Our results demonstrated the ability of Mlt to retain the ability to interact with the RBC membrane in vivo and proved that Mlt is the most important BV molecule involved in this process. Full article

(This article belongs to the Special Issue Bee Product Chemistry: Identification and Characterization of Natural Compounds, 2nd Edition)

► Show Figures

Figure 1

16 pages, 11592 KB

Open AccessArticle

Effect of Mg²⁺ on Enhancing Stabilization and Microwave Absorption Performance of Mg_xFe_3−xO₄

by Yu Du, Jianning Sun, Bin Li, Xueyan Du, Yongkun Yang, Xiaoming Li and Xingmin Guo

Molecules 2025, 30(22), 4418; https://doi.org/10.3390/molecules30224418 (registering DOI) - 15 Nov 2025

Abstract

Magnetite (Fe₃O₄) is an essential material for enhancing microwave absorption performance and is widespread and abundant as a solid solution in natural minerals and metallurgical slags. In this work, the effect of Mg²⁺ on the structure, stabilization, and [...] Read more.

Magnetite (Fe₃O₄) is an essential material for enhancing microwave absorption performance and is widespread and abundant as a solid solution in natural minerals and metallurgical slags. In this work, the effect of Mg²⁺ on the structure, stabilization, and microwave absorption performance of magnesium-containing magnetite (Mg_xFe_3−xO₄) was investigated. On the basis of experiments on the reactions of Fe₂O₃ and MgO under different levels of p_CO/(p_CO + p_CO2), Mg_xFe_3−xO_{4 (x=0.0,0.2,0.4,0.6,1.0)} was synthesized, and Mg²⁺ was found to inhibit the re-oxidation of magnetite. On this basis, the microwave absorption performance of various synthesized Mg_xFe_3−xO₄ samples was measured and analyzed, where Mg²⁺ was found to enhance the microwave absorption performance of Fe₃O₄, and the RL_min value of Mg_0.2Fe_2.8O₄ increased to −50.43 dB compared to that of −19.20 dB for Fe₃O₄. Furthermore, the enhancement mechanism of Mg²⁺ was revealed through impedance matching, dielectric and magnetic loss tangents, and magnetization curves, where the Mg²⁺ ions were found to accelerate the hopping of electrons and change the impedance matching of Mg_xFe_3−xO₄ to a more ideal state. Full article

► Show Figures

Figure 1

23 pages, 768 KB

Open AccessReview

Current Insights into the Phytochemistry and Pharmacological Properties of Ruscus aculeatus

by Wiktoria Pacuła, Ireneusz Sowa, Marcin Feldo, Filip Graczyk, Rafał Patryn and Magdalena Wójciak

Molecules 2025, 30(22), 4417; https://doi.org/10.3390/molecules30224417 (registering DOI) - 15 Nov 2025

Abstract

Ruscus aculeatus L. (butcher’s broom), a member of the Asparagaceae family, is a perennial shrub native to the Mediterranean and Black Sea regions and naturalized in parts of Europe and North America. Traditionally, the rhizome and root of this species have been employed [...] Read more.

Ruscus aculeatus L. (butcher’s broom), a member of the Asparagaceae family, is a perennial shrub native to the Mediterranean and Black Sea regions and naturalized in parts of Europe and North America. Traditionally, the rhizome and root of this species have been employed in folk medicine for the treatment of venous insufficiency, hemorrhoids, edema, and various dermatological and urinary ailments. These therapeutic applications are attributed primarily to the presence of steroidal saponins such as ruscogenin and neoruscogenin, as well as flavonoids and other bioactive compounds. In recent decades, R. aculeatus extracts have been incorporated into numerous pharmaceutical and cosmetic preparations, particularly those intended to improve venous tone, reduce swelling, and alleviate symptoms of chronic venous disorders. However, despite its widespread use, studies regarding R. aculeatus remain limited. Many investigations have focused on complex formulations such as Cyclo 3 Fort, which also contains hesperidin methylchalcone and ascorbic acid, making it difficult to attribute the observed effects solely to R. aculeatus. This review provides an overview of the current knowledge on the phytochemistry and pharmacological activities of R. aculeatus. The available data support the plant’s traditional use, yet further well-designed experimental and clinical studies are needed to clarify its mechanisms of action, confirm its therapeutic potential, and ensure safety and standardization in medicinal preparations. Full article

(This article belongs to the Special Issue Antioxidant, and Anti-Inflammatory Activities of Natural Plants)

► Show Figures

Figure 1

22 pages, 6159 KB

Open AccessArticle

Polyphenols as Potential β-Lactamase Inhibitors: An Integrated Computational and Experimental Study

by Fatima Mourabiti, Fatimazahra Jouga, Lorena G. Calvo, Rosa-Antía Villarino, Yassine Zouheir, Abdelaziz Soukri, Trinidad de Miguel and Bouchra El Khalfi

Molecules 2025, 30(22), 4416; https://doi.org/10.3390/molecules30224416 (registering DOI) - 15 Nov 2025

Abstract

The production of β-lactamases is the main mechanism underlying carbapenem resistance. This study combined in silico and in vitro approaches to identify potential polyphenols as carbapenemase inhibitors. Molecular docking, molecular dynamics, and ADMET prediction were performed to assess the binding affinity, stability, and [...] Read more.

The production of β-lactamases is the main mechanism underlying carbapenem resistance. This study combined in silico and in vitro approaches to identify potential polyphenols as carbapenemase inhibitors. Molecular docking, molecular dynamics, and ADMET prediction were performed to assess the binding affinity, stability, and safety of quercetin, kaempferol, caffeic acid, and 3,4-dihydroxybenzoic acid against KPC-2, NDM-1, and OXA-48 carbapenemases. In vitro antibacterial assays and checkerboard analyses were conducted against Klebsiella pneumoniae, Escherichia coli, and Pseudomonas aeruginosa to assess antibacterial and synergistic effects. Then, the inhibition of the β-lactam hydrolytic activity was confirmed. In silico results showed that quercetin, kaempferol, and caffeic acid exhibited strong binding affinity and consistent stability towards the targets. Therefore, quercetin and kaempferol showed the strongest affinities (−8.0 kcal/mol) and stable interactions with key catalytic residues. ADMET profiles indicated good pharmacokinetic behavior and low acute toxicity. In vitro assays revealed that the polyphenols exhibited MIC values ranging from 12.5 to 25 mg/L and MBC values of 25–50 mg/L. Combined with cefotaxime, they enhanced bacterial susceptibility and inhibited β-lactam hydrolysis, with quercetin achieving complete inhibition at 200 mg/L. These findings highlight the potential of the four polyphenols as natural β-lactamase inhibitors. Further enzyme kinetics and in vivo studies are needed to confirm their therapeutic relevance. Full article

(This article belongs to the Special Issue Natural Products as Antimicrobial and Anti-Infective Agents)

► Show Figures

Figure 1

27 pages, 792 KB

Open AccessReview

Per- and Polyfluoroalkyl Substances (PFAS): History, Current Concerns, and Future Outlook

by Ryuichi Mashima

Molecules 2025, 30(22), 4415; https://doi.org/10.3390/molecules30224415 - 14 Nov 2025

Abstract

Per- and polyfluoroalkyl substances (PFAS) involve multiple per- and polyfluorinated compounds that are widely used globally. Legacy PFAS, including PFOA, PFOS, and PFHxS, were manufactured before 2000 in various industrialized nations, then gradually phased out in accordance with the Stockholm Convention. Due to [...] Read more.

Per- and polyfluoroalkyl substances (PFAS) involve multiple per- and polyfluorinated compounds that are widely used globally. Legacy PFAS, including PFOA, PFOS, and PFHxS, were manufactured before 2000 in various industrialized nations, then gradually phased out in accordance with the Stockholm Convention. Due to the substantial accumulation of these legacy PFAS compounds, their concentrations in drinking water are regulated in some countries. This review first summarizes the historical background of PFAS, followed by a description of their chemical properties. The clinical manifestations of legacy PFAS in humans, such as dyslipidemia, attenuated immune function, and chronic kidney disorders, are also summarized. Emerging PFAS involve Gen-X and F-53B as well as numerous newly developed chemicals with their associated precursors/metabolites, including volatile PFAS. Research on these emerging PFAS compounds in the environment continues to grow, building a substantial body of evidence about their effects. The chemical structure of emerging PFAS shows a wide variety: they could contain ether, ester, sulfoneamide, and other halogen atoms rather than fluorine. Volatile PFAS involve the fluorotelomer 6:2 FTOH and other short-chain PFAS compounds, which are best measured by GC-MS. This review also briefly summarizes the assay for total oxidizable precursors of PFAS, an LC-MS-based assay for an emerging assay that will be used for a quantitative estimation of total PFAS, including emerging PFAS. Full article

(This article belongs to the Special Issue Treatment and Analysis of PFAS in Environmental Pollution)

23 pages, 2574 KB

Open AccessArticle

Co(II) Recovery from Hydrochloric Acid Solution Using Menthol-Based Deep Eutectic Solvents (DESs): Application to NMC Battery Recycling

by María Isabel Martín-Hernández, María Lourdes Rodríguez, Irene García-Díaz, Gorka Barquero-Carmona, Lorena Alcaraz, Olga Rodríguez-Largo and Félix A. López

Molecules 2025, 30(22), 4414; https://doi.org/10.3390/molecules30224414 - 14 Nov 2025

Abstract

Lithium-ion batteries are essential to ensure electric mobility and reduce CO₂ emissions from transportation. One of the most commonly used chemistries is nickel–cobalt–manganese (NMC) batteries, which also have applications beyond the automotive sector. The recycling of these batteries requires the development of [...] Read more.

Lithium-ion batteries are essential to ensure electric mobility and reduce CO₂ emissions from transportation. One of the most commonly used chemistries is nickel–cobalt–manganese (NMC) batteries, which also have applications beyond the automotive sector. The recycling of these batteries requires the development of technologies to enable the selective separation and recovery of the metals present in the battery. One of these selective technologies involves the use of deep eutectic solvents (DESs). This research study investigates the different parameters that influence the recovery of Co(II) from hydrochloric acid medium using the deep eutectic solvent 3 Aliquat 336:7 L-Menthol. Firstly, using synthetic Co(II) solutions, the parameters influencing the cobalt extraction process are examined, and then these optimal conditions are applied to the recovery of cobalt from solutions obtained by dissolving NMC 622 battery black mass in 10 M HCl. The obtained results show that the DES used is highly selective for Co(II) recovery compared to other metals present in the solution (Ni, Li and Mn), achieving recoveries of up to 90% of the cobalt initially present in solution. Stripping with H₂SO₄ 0.5 M allows the recovery of cobalt as a crystalline monohydrate salt (CoSO₄.H₂O). The optimization of the Co/Cu separation conditions is carried out, achieving the separation of Cu(II) using Aliquat 336 in kerosene. Full article

(This article belongs to the Special Issue Advances in the Recycling of Industrial Waste: Critical Minerals in the Clean Energy Transition)

► Show Figures

Graphical abstract

31 pages, 2376 KB

Open AccessArticle

Mitochondrial-Targeted Triphenylphosphonium-Conjugated Ionophores with Enhanced Cytotoxicity in Cancer Cells

by Michał Sulik, Marta Jędrzejczyk, Magdalena Mielczarek-Puta, Jakub Hoser, Piotr Bednarczyk, Marta Struga and Adam Huczyński

Molecules 2025, 30(22), 4413; https://doi.org/10.3390/molecules30224413 - 14 Nov 2025

Abstract

Salinomycin and monensin represent a class of natural ionophore antibiotics with strong anticancer properties. In this paper we report on chemical modification of these compounds by conjugation with phosphonium cations for targeting conjugates to the mitochondria of cancer cells. Our findings indicate that [...] Read more.

Salinomycin and monensin represent a class of natural ionophore antibiotics with strong anticancer properties. In this paper we report on chemical modification of these compounds by conjugation with phosphonium cations for targeting conjugates to the mitochondria of cancer cells. Our findings indicate that this approach yields conjugates with enhanced anticancer activity and selectivity, outperforming not only the parent compounds but also the widely used chemotherapeutic agent, doxorubicin. Comprehensive biological and biophysical analyses proved that the conjugates target the mitochondria in cancer cells, with some of the derivatives additionally promoting generation of mitochondrial reactive oxygen species (mtROS). This targeted strategy holds significant promise for the development of effective mitochondrial-targeted novel anticancer agent. Full article

(This article belongs to the Special Issue Innovative Anticancer Compounds and Therapeutic Strategies)

► Show Figures

Graphical abstract

24 pages, 8400 KB

Open AccessArticle

Unveiling the Structure of PROT and ATB^0,+: Unique Members of the Glycine Transporter Subfamily

by Dorota Stary and Marek Bajda

Molecules 2025, 30(22), 4412; https://doi.org/10.3390/molecules30224412 - 14 Nov 2025

Abstract

The proline transporter (PROT, SLC6A7) and the neutral and cationic amino acid transporter (ATB^0,+, SLC6A14) belong to the glycine transporter subfamily, exhibiting distinct substrate specificities and physiological functions. PROT modulates neurotransmission through proline transport in the brain, while ATB^0,+ facilitates [...] Read more.

The proline transporter (PROT, SLC6A7) and the neutral and cationic amino acid transporter (ATB^0,+, SLC6A14) belong to the glycine transporter subfamily, exhibiting distinct substrate specificities and physiological functions. PROT modulates neurotransmission through proline transport in the brain, while ATB^0,+ facilitates nutrient uptake, especially in the gastrointestinal tract. Impaired function of PROT has been associated with neurological disorders, while ATB^0,+ overexpression has been linked to cancers. Despite their biological relevance, the pool of known ligands for these transporters is limited, and their exact 3D structures remain unknown. Therefore, we conducted an in silico analysis of PROT and ATB^0,+ and compared the obtained results with available literature data on the glycine transporter GlyT1, from the same subfamily. Using homology modelling, docking studies, and molecular dynamics simulations, we investigated the structural properties of PROT and ATB^0,+ and described protein–ligand interactions. We pointed crucial residues responsible for ligand binding, including Tyr133, Tyr297, Phe303, and Phe403 in PROT and Trp327, Val128, and Tyr321 in ATB^0,+. This work provides new insights into the molecular features of PROT and ATB^0,+ transporters, which could support the development of novel transporter inhibitors. Full article

(This article belongs to the Special Issue Computational Studies and Drug Design)

► Show Figures

Figure 1

22 pages, 1723 KB

Open AccessArticle

Comprehensive Evaluation of OS Starch–Oleic Acid Mixtures: From Functional Properties to Their Application in Films with Improved Water Resistance

by Karolina Królikowska, Paulina Pająk, Sławomir Pietrzyk, Karolina Czaplak and Katarzyna Strządała

Molecules 2025, 30(22), 4411; https://doi.org/10.3390/molecules30224411 - 14 Nov 2025

Abstract

This study investigated the effects of octenyl succinate (OS) starches mixed with oleic acid on functional properties and potential use in edible films. Potato starches esterified with 1%, 3%, 5%, or 7% of octenyl succinic anhydride (OSA) were mixed with oleic acid. Degree [...] Read more.

This study investigated the effects of octenyl succinate (OS) starches mixed with oleic acid on functional properties and potential use in edible films. Potato starches esterified with 1%, 3%, 5%, or 7% of octenyl succinic anhydride (OSA) were mixed with oleic acid. Degree of substitution (DS), hydrodynamic volume, and lipid content were measured to evaluate effectiveness of modification. Blank sample and modified starches were analyzed for water binding capacity, solubility, characteristic of gelatinization, pasting properties, and surface/interfacial tensions. Edible films were prepared from the obtained starches and tested for water vapor permeability, water binding capacity, and solubility. The complexation index increased linearly with DS. Oleic acid reduced water binding capacity and solubility, particularly at 80 °C, altered thermodynamic characteristic of gelatinization, decreased viscosities of OS starch pastes, and increased pasting temperatures by up to 20%. It also enhanced the surface tension lowering effect of OS starch and reduced water vapor permeability in films, especially at higher DS. Films from starch–oleic acid mixtures exhibited lower water binding capacity and solubility, notably in 5% and 7% OSA modified starch. Results show that oleic acid addition to OS starch markedly affect functional properties of starch, highlighting its potential for use in edible film applications. Full article

(This article belongs to the Section Food Chemistry)

► Show Figures

Figure 1

16 pages, 2496 KB

Open AccessArticle

Introduction of a 4-Hexyl-2-thienyl Substituent on Pyridine Rings as a Route for Brightly Luminescent 1,3-Di-(2-pyridyl)benzene Platinum(II) Complexes

by Alessia Colombo, Claudia Dragonetti, Francesco Fagnani, Dominique Roberto, Simona Fantacci and Daniele Marinotto

Molecules 2025, 30(22), 4410; https://doi.org/10.3390/molecules30224410 - 14 Nov 2025

Abstract

The synthesis and characterization of two new complexes, namely Pt(1,3-bis(4-(4-hexyl-2-thienyl)-pyridin-2-yl)-5-mesitylbenzene)Cl and Pt(1,3-bis(4-(4-hexyl-2-thienyl)-pyridin-2-yl)-5-(2-thienyl)benzene)Cl, are reported. Both exhibit luminescence quantum yields approaching unity (Φlum = 0.96–0.99) in the green region of the visible spectrum (534–554 nm) in diluted degassed dichloromethane solution. Similarly to other N^C^N [...] Read more.

The synthesis and characterization of two new complexes, namely Pt(1,3-bis(4-(4-hexyl-2-thienyl)-pyridin-2-yl)-5-mesitylbenzene)Cl and Pt(1,3-bis(4-(4-hexyl-2-thienyl)-pyridin-2-yl)-5-(2-thienyl)benzene)Cl, are reported. Both exhibit luminescence quantum yields approaching unity (Φlum = 0.96–0.99) in the green region of the visible spectrum (534–554 nm) in diluted degassed dichloromethane solution. Similarly to other N^C^N platinum(II) complexes, a broad emission band grows in the deep red region (738–752 nm) upon increasing the concentration, due to the creation of bi-molecular emissive excited states. Interestingly, it appears that the introduction of a 2-thienyl group on the pyridine rings is a route to maintain excellent quantum yields even in concentrated solution. In order to have an insight into the electronic properties of the novel compounds, density functional theory (DFT) and time-dependent (TD)DFT approaches were employed to calculate the molecular geometry, the ground state, the electronic structure and the excited electronic states of the complexes, both as a monomers and dimers in solution. Full article

► Show Figures

Figure 1

18 pages, 337 KB

Open AccessArticle

The Effect of Rosemary and Oregano Extract Addition on Selected Quality Properties of Pork Pâtés During Cold Storage

by Paulina Duma-Kocan, Mariusz Rudy and Marian Gil

Molecules 2025, 30(22), 4409; https://doi.org/10.3390/molecules30224409 - 14 Nov 2025

Abstract

This study aimed to evaluate the effect of rosemary and oregano extracts on the chemical composition, physicochemical parameters, and sensory characteristics of pork pâtés under cold storage for 1, 7, and 14 days. Five different experimental variants were developed: “k”—control sample (no extract [...] Read more.

This study aimed to evaluate the effect of rosemary and oregano extracts on the chemical composition, physicochemical parameters, and sensory characteristics of pork pâtés under cold storage for 1, 7, and 14 days. Five different experimental variants were developed: “k”—control sample (no extract added), “rr”—with 50% rosemary extract added, “rs”—with 100% rosemary extract added, “oo”—with 50% oregano extract added, and “os”—with 100% oregano extract added. The study showed that rosemary and oregano extracts did not cause significant changes in the basic chemical composition and pH. However, they significantly affected the oxidative stability, color characteristics, texture, and sensory acceptance of the pâtés. TBARS (lipid oxidation rate) values systematically increased during storage, with the lowest lipid oxidation rate observed in samples with rosemary extract. The extracts also limited the increase in oxidation-reduction potential compared to the control sample. Changes in texture parameters were also observed, but the additives significantly reduced their unfavorable character, particularly in terms of hardness and chewiness. Sensory evaluation results confirmed the positive impact of the extracts, particularly in terms of odor and taste, which were rated significantly higher than in the control sample. The conducted studies indicate that rosemary and oregano extracts may be a natural source of compounds with antioxidant properties and stabilize the quality of pork pâtés. Their use may provide an effective and consumer-acceptable alternative to synthetic preservatives, supporting the development of meat products aligned with the “clean label” trend. Full article

(This article belongs to the Special Issue Advanced Analytical Tools for Characterization and Quality Control of Food, Drugs, and Natural Active Ingredients, 3rd Edition)

13 pages, 2795 KB

Open AccessArticle

Fractionation of Saffron (Crocus sativus L.) Extract by Solid-Phase Extraction and Subsequent Encapsulation in Liposomes Prepared by Reverse-Phase Evaporation

by Fabrizio Ruggieri, Maria Anna Maggi, Francesca Commito, Federica Badia and Luisa Giansanti

Molecules 2025, 30(22), 4408; https://doi.org/10.3390/molecules30224408 - 14 Nov 2025

Abstract

Saffron (Crocus sativus L.) is one of the most valued spices worldwide, rich in bioactive apocarotenoids such as crocins, picrocrocin, and safranal, which display antioxidant, neuroprotective, and anticancer properties. Saffron’s chemical composition is critical for its therapeutic efficacy and a combination of [...] Read more.

Saffron (Crocus sativus L.) is one of the most valued spices worldwide, rich in bioactive apocarotenoids such as crocins, picrocrocin, and safranal, which display antioxidant, neuroprotective, and anticancer properties. Saffron’s chemical composition is critical for its therapeutic efficacy and a combination of components appears essential to reach the best protection and increase tissue resilience, so stigmas were subjected to hydroalcoholic extraction followed by purification via solid-phase extraction to enriched crocin and picrocrocin fractions. The extracts were included in liposomes to enhance their bioavailability and gastrointestinal absorption by oral administration while protecting them in the harsh gastric environment, increasing their permeation and sustaining their release in the gastrointestinal tract. Liposomes were prepared by the reverse-phase evaporation method using saturated or unsaturated lipids extracted from soy. Encapsulation efficiency was determined by HPLC monitoring of trans-4GG crocin, cis-4GG crocin, and picrocrocin. The results indicate that liposomes show greater encapsulation capacity for hydrophilic apocarotenoids such as crocins (≈90% for cis-4GG, ≈50% for trans-4GG crocin) with respect to picrocrocins (<20%). These findings support the application of liposomal carriers to improve the stability, shelf-life, and potential bioavailability of saffron’s bioactive properties for nutraceutical, pharmaceutical, and functional food applications. Full article

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

► Show Figures

Graphical abstract

20 pages, 2348 KB

Open AccessArticle

Effect of Fullerenol C₆₀(OH)₂₄ on the Viability and Metabolism of THP-1 Cells

by Darya Usanina, Svetlana Zamorina, Maria Bochkova, Valeria Timganova, Violetta Vlasova, Valeria Ponomareva, Maria Dolgikh, Sergey Lazarev and Mikhail Rayev

Molecules 2025, 30(22), 4407; https://doi.org/10.3390/molecules30224407 - 14 Nov 2025

Abstract

Fullerenols are polyhydroxylated derivatives of fullerene (C₆₀(OH)_n) with antioxidant, antiviral, and antibacterial properties and potential biomedical applications due to their solubility and biocompatibility. However, comprehensive assessment of their cytotoxicity is required, particularly regarding their effects on immune system cells. [...] Read more.

Fullerenols are polyhydroxylated derivatives of fullerene (C₆₀(OH)_n) with antioxidant, antiviral, and antibacterial properties and potential biomedical applications due to their solubility and biocompatibility. However, comprehensive assessment of their cytotoxicity is required, particularly regarding their effects on immune system cells. This study investigated the effects of fullerenol C₆₀(OH)₂₄ (MST-Nano, St. Petersburg, Russia) on the viability, apoptosis, and metabolism of THP-1 human monocytic leukemia cells. Cells were treated with concentrations ranging from 0.25 to 1000 µg/mL and incubated for 24, 48, and 72 h. Viability, apoptosis, and nanoparticle association were assessed by flow cytometry; glycolysis and mitochondrial respiration were measured after 24 h on a Seahorse XFe96 analyzer (Agilent Technologies, Santa Clara, CA, USA). Results showed that the effects of fullerenol depend on concentration and exposure time. At 24 h, 750 µg/mL increased viability, while 1000 µg/mL induced apoptosis. After 48 and 72 h, apoptosis increased at concentrations ≥750 µSg/mL, with reduced viability. Nanoparticle association correlated with concentration and inversely correlated with viability but was independent of incubation time. Metabolic analysis revealed decreased glycolysis at 750 µg/mL after 24 h, while mitochondrial respiration was unaffected. Thus, our study demonstrated that fullerenol nanoparticles were safe for the THP-1 monocytic cell line up to 500 µg/mL. Full article

► Show Figures

Graphical abstract

24 pages, 2666 KB

Open AccessArticle

Experimental and Theoretical Studies on the Kinetics and Mechanism of the C₃H₈/C₃D₈ + Cl Reaction

by Łukasz Fojcik, Grzegorz Mierzwa, Zdzisław Latajka and Dariusz Stanisław Sarzyński

Molecules 2025, 30(22), 4406; https://doi.org/10.3390/molecules30224406 - 14 Nov 2025

Abstract

An experimental and theoretical investigation of the reaction between chlorine atoms and propane/deuterated propane (C₃H₈/C₃D₈) was performed. The experimental work aimed to determine absolute and site-specific rate constants for hydrogen and deuterium abstraction in the [...] Read more.

An experimental and theoretical investigation of the reaction between chlorine atoms and propane/deuterated propane (C₃H₈/C₃D₈) was performed. The experimental work aimed to determine absolute and site-specific rate constants for hydrogen and deuterium abstraction in the Cl + C₃H₈/C₃D₈ system. Measurements were conducted using the relative rate method at three temperatures between 298 and 387 K. Total rate constants for H/D abstraction by chlorine, as well as individual rate constants for abstraction from primary and secondary carbon sites, were obtained. The kinetic data for H abstraction agree well with previously reported literature values, confirming the reliability of the experimental approach. Notably, rate constants for the C₃D₈ + Cl reaction were determined for the first time, and the consistency of these results supports the reliability of the newly derived kinetic parameters. In the theoretical part of the study, hydrogen/deuterium abstraction from propane by atomic chlorine was analyzed within an atmospheric-chemistry context to clarify temperature dependence and site selectivity. Stationary points (SC, TS, PC, reactants, products) were optimized at MP2/aug-cc-pVDZ and verified by harmonic frequencies and intrinsic reaction-coordinate analyses. Eyring transition-state theory yielded 298–550 K rate constants with activation free energies referenced to SC. Our calculations indicate entrance-channel complex formation and effectively barrierless progress for most pathways; a small barrier appears only for RD1′. L-parameter evaluation classifies TS2 as reactant-like, and branching ratios identify –CH₂– abstraction (RX2) as dominant. These findings align with the experimental data. Full article

(This article belongs to the Section Physical Chemistry)

► Show Figures

Graphical abstract

25 pages, 3145 KB

Open AccessArticle

Tocopherols and Antioxidant Potential of Rapeseed Pomace: A Multi-Method Evaluation for Food and Feed Applications

by Bronisław K. Głód, Mateusz Borkowski, Jolanta Marciniuk and Paweł Marciniuk

Molecules 2025, 30(22), 4405; https://doi.org/10.3390/molecules30224405 - 14 Nov 2025

Abstract

Rapeseed pomace, a by-product of oil processing, is a rich source of bioactive compounds with potential antioxidant properties. This study aimed to evaluate the tocopherol content and antioxidant capacity of rapeseed pomace in comparison with commonly used edible oils. Chromatographic analysis using high-performance [...] Read more.

Rapeseed pomace, a by-product of oil processing, is a rich source of bioactive compounds with potential antioxidant properties. This study aimed to evaluate the tocopherol content and antioxidant capacity of rapeseed pomace in comparison with commonly used edible oils. Chromatographic analysis using high-performance liquid chromatography with electrochemical detection (HPLC–ED), spectrophotometric assays including 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging and the Folin–Ciocalteu method, as well as electrochemical approaches such as cyclic voltammetry (CV) and differential pulse voltammetry (DPV), were applied to provide a comprehensive assessment. Rapeseed pomace exhibited the highest total tocopherol concentration (>70 mg/100 g) and strong antioxidant activity confirmed across all assays. Significant correlations (r ≈ 0.9) between spectrophotometric and electrochemical results demonstrated the reliability of the applied techniques. In addition, methanol extraction was applied as an alternative to saponification, providing a straightforward approach for tocopherol determination. The findings highlight rapeseed pomace as a valuable natural antioxidant source and support the applicability of electrochemical methods for the evaluation of edible oils. Full article

(This article belongs to the Special Issue Exploring the Natural Antioxidants in Foods)

► Show Figures

Figure 1

13 pages, 965 KB

Open AccessArticle

Simultaneous Quantification of Multiple Analytes in Rat Plasma by UHPLC–MS/MS Following Oral Administration of Gastrodiae Rhizoma Extract for Pharmacokinetic Evaluation

by Lu Chen, Yameng Zhu, Huizi Ouyang, Xiwei Wu, Wenhan Lin, Kaili Zhang and Jun He

Molecules 2025, 30(22), 4404; https://doi.org/10.3390/molecules30224404 - 14 Nov 2025

Abstract

Gastrodiae Rhizoma (GR) is known to have a medicinal and food-based homology. It is used to treat infantile convulsion, epilepsy, spasm, tetanus, and vertigo. In this study, an ultra-high performance liquid chromatography/tandem mass spectrometry (UHPLC-MS/MS) method was developed and validated to quantify fourteen [...] Read more.

Gastrodiae Rhizoma (GR) is known to have a medicinal and food-based homology. It is used to treat infantile convulsion, epilepsy, spasm, tetanus, and vertigo. In this study, an ultra-high performance liquid chromatography/tandem mass spectrometry (UHPLC-MS/MS) method was developed and validated to quantify fourteen components (p-hydroxybenzyl alcohol, gastrodin, parishin E, p-hydroxybenzoic acid, parishin C, parishin A, parishin B, nicotinamide, p-hydroxybenzaldehyde, adenosine, 3,4-dihydroxybenzaldehyde, syringaldehyde, dauricine, and nobiletin) of GR in rat plasma. Methanol precipitation was used to prepare the samples with astragalin, serving as the internal standard. In multiple reaction monitoring (MRM) mode, the fourteen components were separated by gradient elution on a Waters ACQUITY UPLC^® HSS T3 column. Under these conditions, all fourteen analytes’ calibration curves demonstrated strong linearity within wide concentration ranges (r > 0.9941). Accuracy for the intra-day and inter-day assessments ranged from −13.74% to 12.76%, and the precision for all analytes remained below 8.88%. The analytes’ extraction recoveries ranged from 66.78% to 114.2%, accompanied by matrix effects ranging from 63.65% to 117.61%. Under the evaluated conditions, stability tests confirmed that the compounds remained stable, with relative standard deviations below 13.83%. Consequently, the UHPLC-MS/MS method was effectively used to determine the pharmacokinetics of fourteen components in rat plasma after oral administration of GR extract. This study provides supportive data for rational application of GR. Full article

(This article belongs to the Section Analytical Chemistry)

► Show Figures

Figure 1

18 pages, 2149 KB

Open AccessArticle

Structural Characterization and In Vitro Hypoglycemic Activity of a Polysaccharides Obtained from Fructus arctii

by Pin Gong, Jiawei Gao, Hui Long, Haotian Gao, Wenjuan Yang, Jing Wang, Nan Li, Yanni Zhao, Huan Liu and Fuxin Chen

Molecules 2025, 30(22), 4403; https://doi.org/10.3390/molecules30224403 - 14 Nov 2025

Abstract

In recent years, the number of diabetes patients worldwide has been increasing daily, and more than 700 million people are in a prediabetic state. Fructus arctii exhibits notable anti-diabetic activity, but its active components remain unclear. In this study, a polysaccharide (FAP-W) was [...] Read more.

In recent years, the number of diabetes patients worldwide has been increasing daily, and more than 700 million people are in a prediabetic state. Fructus arctii exhibits notable anti-diabetic activity, but its active components remain unclear. In this study, a polysaccharide (FAP-W) was extracted and characterized using UV, FTIR, HPLC, NMR, AFM, the Congo red test, and SEM. FAP-W has a molecular weight of 1.99 × 10⁴ Da and mainly consists of α-d-glucopyranosyl-(1→2)-[β-d-fructofuranosyl-(1→2)]₁₀-β-d-furanofructosyl units. Monosaccharide analysis revealed mannose, glucose, galactose, and arabinose in a 3.4:23.59:21.27:47.7 ratio. In insulin-resistant HepG2 cells, FAP-W significantly increased glucose consumption, enhanced glycogen content, and elevated HK and PK activities. It also decreased TG, MDA, and ROS levels while improving SOD activity. These results suggest that FAP-W ameliorates insulin resistance, regulates glucose–lipid metabolism, and alleviates oxidative stress, indicating its potential as a functional food or therapeutic candidate for diabetes. Full article

(This article belongs to the Section Food Chemistry)

► Show Figures

Figure 1

11 pages, 230 KB

Open AccessReview

Red Palm Oil: Nutritional Composition, Bioactive Properties, and Potential Applications in Health and Cosmetics: A Narrative Review

by Husna Madoromae and Monthon Lertcanawanichakul

Molecules 2025, 30(22), 4402; https://doi.org/10.3390/molecules30224402 - 14 Nov 2025

Abstract

Red palm oil (RPO) is a rich source of bioactive compounds, including carotenoids, tocopherols, tocotrienols, and polyphenols, which contribute to its potent antioxidant and anti-inflammatory properties. This review summarizes the current understanding of RPO composition, bioactivity, and potential applications in health and cosmetics. [...] Read more.

Red palm oil (RPO) is a rich source of bioactive compounds, including carotenoids, tocopherols, tocotrienols, and polyphenols, which contribute to its potent antioxidant and anti-inflammatory properties. This review summarizes the current understanding of RPO composition, bioactivity, and potential applications in health and cosmetics. Current preclinical and small-scale clinical studies suggest that RPO bioactives can mitigate oxidative stress, modulate inflammatory pathways, and improve skin barrier function. Strategies to enhance stability and bioavailability, such as microencapsulation and formulation into emulsions or liposomes, are also discussed. The manuscript highlights the potential of RPO as a natural functional ingredient in dietary, nutraceutical, and cosmetic products. Comprehensive evaluation of these bioactive compounds provides insights for future research and practical applications in promoting human health. Full article

(This article belongs to the Special Issue State of the Art of Natural Antioxidants: Extraction, Detection and Biofunctions—2nd Edition)

► Show Figures

Graphical abstract

Journal Description

Molecules

Latest Articles

Journal Menu

Journal Browser

Highly Accessed Articles

Latest Books

E-Mail Alert

News

Topics

Conferences

Special Issues

Topical Collections

Further Information

Guidelines

MDPI Initiatives

Follow MDPI