Molecules

16 pages, 2004 KB

Open AccessArticle

1-Butyl-3-methylimidazolium Mandelate: A Multifunctional Ionic Liquid with Enhanced Hydrogen Bonding, Thermal Stability, Antimicrobial Activity, and Extraction Capability

by Nikolett Cakó Bagány, Eleonora Čapelja, Sanja Belić, Dajana Lazarević, Jelena Jovanović, Tatjana Trtić-Petrović and Slobodan Gadžurić

Molecules 2025, 30(24), 4824; https://doi.org/10.3390/molecules30244824 - 18 Dec 2025

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Abstract

Designing ionic liquids (ILs) where a single functional group orchestrates a suite of enhanced properties remains a key challenge in materials science. Here, we introduce 1-butyl-3-methylimidazolium mandelate, [Bmim][Man], a novel IL where the hydroxyl group on the mandelate anion simultaneously enhances hydrogen bonding, [...] Read more.

Designing ionic liquids (ILs) where a single functional group orchestrates a suite of enhanced properties remains a key challenge in materials science. Here, we introduce 1-butyl-3-methylimidazolium mandelate, [Bmim][Man], a novel IL where the hydroxyl group on the mandelate anion simultaneously enhances hydrogen bonding, thermal stability, antimicrobial activity, and extraction selectivity. The structure-property relationships of [Bmim][Man] were investigated through measurements of density, viscosity, and conductivity and were compared with analogous ILs. The presence of the hydroxyl group on the mandelate anion resulted in the highest density and viscosity among the series, attributed to strong hydrogen bonding and efficient ion packing. Notably, [Bmim][Man] exhibited a high molar conductivity that decouples from its high viscosity, suggesting an unusual degree of ion dissociation facilitated by the hydroxyl group. Thermogravimetric analysis revealed superior thermal stability. Furthermore, the investigated ionic liquid demonstrated a low critical aggregation concentration (CAC = 0.01982 mol·dm⁻³) in water, indicating a strong propensity for self-aggregation. [Bmim][Man] showed synergistic, enhanced antibacterial activity against E. coli and P. aeruginosa. Finally, the functional utility of this designed liquid was demonstrated in separation science, where [Bmim][Man]-based aqueous biphasic systems showed selective extraction capabilities for transition metals, a process driven by the same hydrogen-bonding and coordination interactions that define its bulk properties. These findings establish [Bmim][Man] as a promising multifunctional material where the mandelate anion concurrently dictates liquid microstructure, thermal resilience, antimicrobial performance, and application in extraction. Full article

(This article belongs to the Section Molecular Liquids)

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14 pages, 1588 KB

Open AccessArticle

Preparation of a Supramolecular Assembly of Vitamin D in a β-Cyclodextrin Shell with Silver Nanoparticles

by Ryszhan Y. Bakirova, Serik D. Fazylov, Ainara S. Iskineyeva, Akmaral Zh. Sarsenbekova, Aleksandr K. Sviderskiy, Olzhas T. Seilkhanov, Ayaulym K. Mustafayeva, Anel Z. Mendibayeva, Bolatkul Dh. Ashirbekova, Mereke T. Agedilova and Gaukhar Khabdolda

Molecules 2025, 30(24), 4823; https://doi.org/10.3390/molecules30244823 - 18 Dec 2025

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Abstract

An important aspect of food technology is that vitamin compounds can be used for a variety of purposes, such as developing methods to enhance the nutritional value of foods. This paper discusses the synthesis and properties of β-cyclodextrin (β-CD)-functionalized silver nanoparticles, and the [...] Read more.

An important aspect of food technology is that vitamin compounds can be used for a variety of purposes, such as developing methods to enhance the nutritional value of foods. This paper discusses the synthesis and properties of β-cyclodextrin (β-CD)-functionalized silver nanoparticles, and the use of the resulting β-CD-AgNP inclusion complex when loading vitamin D₃ (cholecalciferol, VD₃) molecules. β-Cyclodextrin was used as a reducing agent and a stabilizer in the production of silver nanoparticles. The preparation of VD₃-β-CD-AgNP nanocompositions was confirmed by UV spectroscopy, transmission electron microscopy, and X-ray diffraction spectroscopy. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) revealed that the resulting β-CD-VD₃-AgNP nanocomposite was well dispersed with particle sizes ranging from 6 to 15 nm. ¹H-, ¹³C-NMR and FTIR spectroscopy showed the reduction of silver ions and the formation of β-CD-encapsulated AgNPs. The kinetic parameters of the thermal decomposition reaction of the VD₃-β-CD-AgNP nanocomposition have been determined under nonisothermal conditions that ensure the preservation of the kinetic triplet and a more accurate description of the process. The nanocomposition of VD₃ with silver nanoparticles demonstrated antibacterial activity against the used bacteria. Full article

(This article belongs to the Special Issue Food Chemistry and Bioactive Compounds in Relation to Health, 2nd Edition)

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19 pages, 2944 KB

Open AccessArticle

The Iodine–Dextrin–Lithium Complex: Morphology, Antibacterial Activity, and Cytotoxicity

by Daniil Shepilov, Seitzhan Turganbay, Ardak Jumagaziyeva, Tamara Bukeyeva, Dana Askarova, Didar Bolatova, Yerlan Doszhanov, Arman Zhumazhanov, Almagul Kerimkulova, Karina Saurykova and Aitugan Sabitov

Molecules 2025, 30(24), 4822; https://doi.org/10.3390/molecules30244822 - 18 Dec 2025

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Abstract

A new iodine–dextrin–lithium complex (IDLC) was synthesized and structurally characterized as a hybrid supramolecular system combining antiseptic, stabilizing, and biocompatible components. The compound integrates iodine as the primary antimicrobial agent, lithium as a coordination and stabilization element, and dextrin as a biodegradable polysaccharide [...] Read more.

A new iodine–dextrin–lithium complex (IDLC) was synthesized and structurally characterized as a hybrid supramolecular system combining antiseptic, stabilizing, and biocompatible components. The compound integrates iodine as the primary antimicrobial agent, lithium as a coordination and stabilization element, and dextrin as a biodegradable polysaccharide matrix enabling sustained release. Physicochemical analyses confirmed the formation of a uniform, thermally stable complex. Biological evaluation revealed strong bactericidal activity, with minimum bactericidal concentrations (MBCs) ranging from 1.95 to 15.63 µg mL⁻¹ against both Gram-positive and Gram-negative pathogens, including multidrug-resistant Staphylococcus aureus and Acinetobacter baumannii. Cytotoxicity studies revealed moderate, concentration-dependent effects on human peripheral blood mononuclear cells (CC₅₀ = 0.23–0.48 mg/mL; 11.7–24.4 μg I/mL) and low toxicity toward MDCK cells (CC₅₀ = 10–20 mg/mL; 507–1014 μg I/mL), confirming a favorable safety profile. IDLC exhibited cytotoxic effects on tumor cell lines (HepG2, HeLa, AGS, K562, and H9) as well as on the normal MeT-5A cell line; however, the CC₅₀ values are similar, and selectivity indices are close to 1, indicating no selective cytotoxicity toward tumor cells. Thus, IDLC demonstrates non-specific cytotoxicity at high concentrations, consistent with its iodine content. The research confirms that iodine can be effectively stabilized within a dextrin-lithium framework to yield a biologically active, thermally resistant complex, suitable for pharmaceutical use. Full article

(This article belongs to the Topic Metal Ions in Health and Diseases: Current Progress and Future Challenges)

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32 pages, 3101 KB

Open AccessReview

Peptides from General By-Products: Unveiling Their Potential Biological Activities in Human Health

by Alejandra Colón-Sandoval, Laura A. Contreras-Angulo, Luis A. Cabanillas-Bojórquez, Erick Paul Gutiérrez-Grijalva, Josefina León-Félix, Nayely Leyva-López, Leticia Xochitl López-Martínez, Miriam D. García-Cebreros and José Basilio Heredia

Molecules 2025, 30(24), 4821; https://doi.org/10.3390/molecules30244821 - 18 Dec 2025

Viewed by 716

Abstract

Peptides are short amino acid chains that can be released from proteins through hydrolysis or fermentation, exhibiting various biological activities, including antioxidant, antihypertensive, anti-inflammatory, and anticancer effects. Generally, these compounds are extracted from food products. However, to maximize resource utilization under the premise [...] Read more.

Peptides are short amino acid chains that can be released from proteins through hydrolysis or fermentation, exhibiting various biological activities, including antioxidant, antihypertensive, anti-inflammatory, and anticancer effects. Generally, these compounds are extracted from food products. However, to maximize resource utilization under the premise of sustainability in favor of a circular economy, there is an interesting approach to obtaining peptides from sub-utilized parts and non-food products of food production and processing, based on the grade at which they can be valued. These by-products may contain large quantities of protein that can be utilized. Although some may have a low protein content, they stand out for the quality and proportion of their amino acids, which provide properties with functional applications. This revision approaches some of the most recent reports on isolated peptides from residues, by-products, or underutilized parts from plant, animal, or sea origin; the conventional methods and alternative technologies to isolate them from the origin matrixes; the methods to purify and identify them, the biological activities they perform, as well as a brief description of the application fields of these compounds and the challenges that their application faces in biomedicine and the food industry. Full article

(This article belongs to the Special Issue Research on Changes in Nutritional Components and Structure During Food Processing)

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20 pages, 4767 KB

Open AccessArticle

Trimetallic Nanocomposites Grafted on Modified PET Substrate Revealing Antibacterial Effect Against Escherichia coli

by Veronika Lacmanová, Veronika Svačinová, Martin Petr, Petr Slepička, Filip Průša, Ondřej Kvítek, Anna Kutová, Alena Řezníčková and Karolína Šišková

Molecules 2025, 30(24), 4820; https://doi.org/10.3390/molecules30244820 - 18 Dec 2025

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Abstract

The microbial resistance era prompts researchers to find new effective antimicrobial agents. Trimetallic nanocomposites consisting of AuAg nanostructures and iron oxide nanoparticles can represent an efficient tool to inhibit bacterial growth as demonstrated here. The trimetallic nanocomposites, prepared by green chemistry approach, are [...] Read more.

The microbial resistance era prompts researchers to find new effective antimicrobial agents. Trimetallic nanocomposites consisting of AuAg nanostructures and iron oxide nanoparticles can represent an efficient tool to inhibit bacterial growth as demonstrated here. The trimetallic nanocomposites, prepared by green chemistry approach, are grafted on a modified, plasma-treated, flexible polyethylene terephthalate (PET) substrate. Spectroscopic and microscopic characterization of the trimetallic nanocomposites grafted on modified PET together with antibacterial tests confirm the successful applicability of the newly developed material: a statistically significant antibacterial effect against E. coli is proven. This effect is further pronounced by a short time (5 min) UVA light (365 nm) irradiation. The present work thus reports on the feasible preparation of the brand-new material that is successfully used in E. coli colony growth regulations. The impact of small noble metal nanostructures containing Ag and UVA light-activated iron oxide particles on the bacterium can be combined and results in the improved antibacterial performance of the final material. Employing such material may represent a potential strategy for fighting against the development of bacteria resistance. Full article

(This article belongs to the Special Issue Metal and Metal Oxide Nanocomposites: From Synthesis to Applications in Biomedical & Environmental Technologies)

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18 pages, 3879 KB

Open AccessArticle

Exploring Dacarbazine Complexation with a Cellobiose-Based Carrier: A Multimethod Theoretical, NMR, and Thermochemical Study

by Marta Hoelm, Zdzisław Kinart and Stanisław Porwański

Molecules 2025, 30(24), 4819; https://doi.org/10.3390/molecules30244819 - 18 Dec 2025

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Abstract

Dacarbazine (DTIC) is a clinically important anticancer drug whose photosensitivity poses challenges for its stability and interactions with supramolecular hosts. Here, we investigate its complexation with the host 1,10-N,N′-bis-(β-D-ureidocellobiosyl)-4,7,13,16-tetraoxa-1,10-diazacyclooctadecane (TN), a hybrid urea–carbohydrate–diazacrown system, using combined experimental and computational approaches. While [...] Read more.

Dacarbazine (DTIC) is a clinically important anticancer drug whose photosensitivity poses challenges for its stability and interactions with supramolecular hosts. Here, we investigate its complexation with the host 1,10-N,N′-bis-(β-D-ureidocellobiosyl)-4,7,13,16-tetraoxa-1,10-diazacyclooctadecane (TN), a hybrid urea–carbohydrate–diazacrown system, using combined experimental and computational approaches. While TN has been studied as a host molecule, its specific interactions with DTIC and the associated thermodynamic characteristics had not been characterized. Computational results (obtained at the density functional theory level (DFT)) indicate that TN primarily forms non-inclusion complexes, with DTIC engaging in hydrogen bonding with sugar units, urea bridges, and diazacrown ether moieties. Experimental ¹H NMR studies in D₂O confirmed these interaction patterns, showing notable chemical shifts for sugar protons. Conductometric measurements between 293 and 313 K allowed for the determination of formation constants and thermodynamic parameters. The results demonstrate that TN:DTIC complexation is spontaneous, exothermic, and enthalpy-driven, accompanied by decreased system entropy. Comparison with previous studies on cyclodextrin complexes shows that TN forms strong associations with DTIC, owing to its abundant donor–acceptor groups, which facilitate extensive hydrogen-bonding networks. These findings provide new insights into DTIC stabilization and highlight TN’s potential as a multifunctional platform for drug delivery. Full article

(This article belongs to the Special Issue Alternative Routes for the Delivery of Drug Molecules)

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17 pages, 2967 KB

Open AccessArticle

Identification, Molecular Docking Mechanism and Cellular Activity of Selenium-Enriched ACE Inhibitory Peptides from Oysters

by Zhuangzhuang Yue, Zhen Xia, Fei Xu, Bingbing Chen, Shufei Jiao, Xingtang Liang, Yanzhen Yin and Jianyin Miao

Molecules 2025, 30(24), 4818; https://doi.org/10.3390/molecules30244818 - 18 Dec 2025

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Abstract

Selenium-enriched oyster proteins were hydrolyzed using trypsin to obtain peptides with angiotensin-I-converting enzyme (ACE) inhibitory activity. The hydrolysate was purified by ultrafiltration and two-step reversed-phase high-performance liquid chromatography (RP-HPLC), yielding the most active fraction M4-2 (selenium content: 37.00 ± 0.56 mg/kg; IC₅₀ [...] Read more.

Selenium-enriched oyster proteins were hydrolyzed using trypsin to obtain peptides with angiotensin-I-converting enzyme (ACE) inhibitory activity. The hydrolysate was purified by ultrafiltration and two-step reversed-phase high-performance liquid chromatography (RP-HPLC), yielding the most active fraction M4-2 (selenium content: 37.00 ± 0.56 mg/kg; IC₅₀: 0.774 mg/mL, significantly lower than the IC₅₀ of the crude hydrolysate, 2.801 mg/mL). This fraction was further analyzed by LC-MS/MS and molecular docking, leading to the identification of 91 selenium-containing peptide sequences. Two novel peptides, SeMFRTSSK and QASeMNEATGGK, showing strong binding affinities (−9.8 and −9.0 kcal/mol, respectively), were selected. Molecular docking revealed that SeMFRTSSK bound to key residues in the ACE active pocket via hydrogen bonds, whereas QASeMNEATGGK interacted with the Zn²⁺ active center. Cellular assays using EA.hy926 cells demonstrated that both peptides were non-cytotoxic at concentrations up to 0.25 mg/mL. At 0.025 mg/mL, SeMFRTSSK and QASeMNEATGGK enhanced cellular NO release by 202.65% and 273.45%, respectively, while suppressing Endothelin-1 (ET-1) secretion by 18.03% and 27.86%, compared to the blank control group. Notably, these peptides induced higher levels of NO release and greater suppression of ET-1 secretion than those in the captopril-treated positive control group. These findings support selenium-enriched oyster-derived peptides as potential natural antihypertensive ingredients. Full article

(This article belongs to the Section Food Chemistry)

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17 pages, 745 KB

Open AccessArticle

Functional and Rheological Properties of Gluten-Free Flour Blends from Brown Eragrostis tef (Zucc.) Trotter and Glycine max (L.) Merr

by Shewangzaw Addisu Mekuria, Damian Marcinkowski and Joanna Harasym

Molecules 2025, 30(24), 4817; https://doi.org/10.3390/molecules30244817 - 18 Dec 2025

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Abstract

The increasing prevalence of celiac disease and demand for nutritious gluten-free alternatives have driven interest in cereal–legume composite flours. This study examined the functional, rheological, and textural properties of gluten-free flour blends formulated from brown (red) teff (Eragrostis tef (Zucc.) Trotter) and [...] Read more.

The increasing prevalence of celiac disease and demand for nutritious gluten-free alternatives have driven interest in cereal–legume composite flours. This study examined the functional, rheological, and textural properties of gluten-free flour blends formulated from brown (red) teff (Eragrostis tef (Zucc.) Trotter) and soybean (Glycine max (L.) Merr.) at different ratios (100:0, 90:10, 80:20, 70:30, 60:40, 0:100). Absorptive characteristics, particle size distribution, pasting behaviour, viscoelastic properties through oscillatory rheology, and texture profile analysis were evaluated. Soybean flour exhibited higher water holding capacity (5.54 g/g) and water solubility index (40.18%), while teff demonstrated notable water absorption index (5.62 g/g) and swelling power (6.18 g/g). Particle size analysis revealed that coarse fractions enhanced water binding and solubility, whereas fine fractions favoured hydration and swelling. Pasting properties showed that teff achieved a peak viscosity of 12,198 mPas in water, significantly reduced to 1839 mPas with AgNO₃. Pure teff exhibited the highest storage modulus (1947.98 Pa) and hardness (7.60 N), whereas the incorporation of soybeans progressively softened the texture. The complementary functional properties of teff and soybean demonstrate promising potential for developing nutritionally enhanced, protein-enriched gluten-free products, with solvent selection and blending ratios serving as critical optimization parameters for specific food applications. Full article

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

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22 pages, 4587 KB

Open AccessArticle

Evaluation of Filter Types for Trace Element Analysis in Brake Wear PM₁₀: Analytical Challenges and Recommendations

by Aleandro Diana, Mery Malandrino, Riccardo Cecire, Paolo Inaudi, Agnese Giacomino, Ornella Abollino, Agusti Sin and Stefano Bertinetti

Molecules 2025, 30(24), 4816; https://doi.org/10.3390/molecules30244816 - 18 Dec 2025

Viewed by 357

Abstract

Accurate analysis of trace elements in particulate matter (PM) emitted by brake systems critically depends on the filter selection and handling processes, which can significantly impact analytical results due to contamination and elemental interference from filter elemental composition. This study systematically evaluated two [...] Read more.

Accurate analysis of trace elements in particulate matter (PM) emitted by brake systems critically depends on the filter selection and handling processes, which can significantly impact analytical results due to contamination and elemental interference from filter elemental composition. This study systematically evaluated two widely used filter types, EMFAB (borosilicate glass microfiber reinforced with PTFE) and Teflon (PTFE), for their suitability in the trace element determination of brake-wear PM₁₀ collected using a tribometer set-up. A total of twenty-three PM₁₀ samples were analyzed, encompassing two different friction materials, to thoroughly assess the performance and analytical implications of each filter type. Filters were tested for their chemical background, handling practicality and potential contamination risk through extensive elemental analysis by inductively coupled plasma–optical emission spectrometry (ICP-OES) and inductively coupled plasma-mass spectrometry (ICP-MS). Additionally, morphological characterization of both filter types was conducted via scanning electron microscopy (SEM) coupled with energy-dispersive X-ray spectroscopy (EDS) to elucidate structural features affecting particle capture and subsequent analytical performance. Significant differences emerged between the two filters regarding elemental interferences: EMFAB filters exhibited substantial background contribution, particularly for alkali and alkaline earth metals (Ca, Na, Mg and K), complicating accurate quantification at trace levels. Conversely, Teflon filters demonstrated considerably lower background but required careful manipulation due to their structural fragility and the necessity to remove supporting rings, potentially introducing analytical variability. Statistical analysis confirmed that the filter material significantly affects elemental quantification, particularly when the collected PM₁₀ mass is limited, highlighting the importance of careful filter selection and handling procedures. Recommendations for optimal analytical practices are provided to minimize contamination risks and enhance reliability in trace element analysis of PM₁₀ emissions. These findings contribute to refining analytical methodologies essential for accurate environmental monitoring and regulatory assessments of vehicular non-exhaust emissions. Full article

(This article belongs to the Special Issue Advances in Trace Element Analysis: Techniques and Applications)

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17 pages, 5799 KB

Open AccessArticle

Rotation Conformational Effects of Selected Cytotoxic Cardiac Glycosides on Their Interactions with Na⁺/K⁺-ATPase

by Yulin Ren, Peirun Yang, Judith C. Gallucci, Can Wang, Xiaolin Cheng, Sijin Wu and A. Douglas Kinghorn

Molecules 2025, 30(24), 4815; https://doi.org/10.3390/molecules30244815 - 18 Dec 2025

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Abstract

Cardenolides are an important group of steroidal natural products and have been used successfully for the treatment of cardiovascular diseases by targeting Na⁺/K⁺-ATPase (NKA) and found more recently to show potential anticancer activity. Biological investigations indicate that both the [...] Read more.

Cardenolides are an important group of steroidal natural products and have been used successfully for the treatment of cardiovascular diseases by targeting Na⁺/K⁺-ATPase (NKA) and found more recently to show potential anticancer activity. Biological investigations indicate that both the C-17 lactone unit and the C-3 saccharide moiety of these compounds play an important role in their interaction with NKA and in manifesting the resultant bioactivities. Interestingly, the crystal structures of several cardenolides show various conformations, due to a rotation of the C-3 saccharide moiety or the C-17 lactone unit. These rotation conformations could affect their binding to NKA and the resultant bioactivities, and thus docking profiles with NKA for several cardenolides, including cryptanoside A, digoxin and its aglycone, digoxigenin, and gitoxin, have been investigated in the present investigation. The results indicate that the binding poses of the rotation conformations of the cardenolides selected are different when they bind to NKA, as indicated by their docking scores calculated. For each compound, the rotation conformations observed could be in a dynamic equilibrium, of which each conformer may interact with NKA differentially, and these rotation conformers could act on NKA cooperatively to lead to a specific bioactivity. Full article

(This article belongs to the Special Issue Advances and Opportunities of Natural Products in Drug Discovery)

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15 pages, 770 KB

Open AccessArticle

Exploring the Volatile Fingerprinting of Young Portuguese Monovarietal Red Wines by HS-SPME-GC×GC-TOFMS: A Five-Year Study

by Sousa Gastão-Muchecha, Nuno Martins, Raquel Garcia and Maria João Cabrita

Molecules 2025, 30(24), 4814; https://doi.org/10.3390/molecules30244814 - 18 Dec 2025

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Abstract

The aroma of wine is a defining quality attribute, determined mainly by volatile organic compounds (VOCs) originating from grape metabolism, fermentation, and maturation. This study aimed to characterize the VOC composition of young monovarietal red wines from the Alentejo region (Portugal), produced from [...] Read more.

The aroma of wine is a defining quality attribute, determined mainly by volatile organic compounds (VOCs) originating from grape metabolism, fermentation, and maturation. This study aimed to characterize the VOC composition of young monovarietal red wines from the Alentejo region (Portugal), produced from Alicante Bouschet, Touriga Nacional, and Trincadeira across five consecutive vintages (2020–2024). Headspace solid-phase microextraction (HS-SPME) coupled with comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry (GC×GC-ToFMS) was applied for VOC profiling, followed by multivariate statistical analyses. A strict identification and reproducibility criterion was applied to ensure longitudinal consistency over the five vintages. MANOVA analysis revealed significant effects (p < 0.001) of both grape variety and vintage on VOC distribution. Esters were the most abundant and discriminant group, while aldehydes and terpenes contributed markedly to varietal differentiation. Alicante Bouschet wines were associated with fruity ethyl esters, Touriga Nacional with monoterpenes (citronellol, terpinolene, α-farnesene) and aromatic alcohols, and Trincadeira with aldehydes and sesquiterpenes. Canonical discriminant analysis (CDA) achieved clear separation among varieties and vintages, with the first two canonical functions accounting for over 70% of the total variance. Heatmap analysis highlighted distinctive terpene and C13-norisoprenoid profiles across samples. These findings demonstrate the pivotal role of VOCs in defining Alentejo wine typicity and support their use as chemical markers for authenticity and PDO valorization. Full article

(This article belongs to the Special Issue Chromatography and Spectroscopy in Food, Environmental, and Pharmaceutical Sciences)

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26 pages, 3274 KB

Open AccessReview

Cyclopentadienyl Complexes of Technetium

by Ulrich Abram and Maximilian Roca Jungfer

Molecules 2025, 30(24), 4813; https://doi.org/10.3390/molecules30244813 - 18 Dec 2025

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Abstract

The number of structurally investigated cyclopentadienyl (Cp⁻) complexes of technetium is limited in contrast to the situation with its heavier homolog, rhenium. Although this could be attributed to the radioactivity of all isotopes of the radioelement, there are also clear chemical [...] Read more.

The number of structurally investigated cyclopentadienyl (Cp⁻) complexes of technetium is limited in contrast to the situation with its heavier homolog, rhenium. Although this could be attributed to the radioactivity of all isotopes of the radioelement, there are also clear chemical differences to analogous compounds of the other group seven elements, manganese and rhenium. Technetium Cp⁻ compounds are known with the metal in the oxidation states “+1” to “+7”, with a clear dominance of Tc(I) carbonyls and nitrosyls. Corresponding carbonyl complexes also play a significant role in the development of ^99mTc-based radiopharmaceuticals with the aromatic ring as an ideal position for the attachment of biomarkers. In this paper, the present status of the synthetic and structural chemistry of technetium with Cp⁻ ligands is discussed, together with recent developments in the corresponding ^99mTc labeling chemistry. Full article

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

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10 pages, 245 KB

Open AccessArticle

Antioxidant Activity and Phenolic Compounds in Medicinal Plants: A Comparison of Organic and Conventional Mentha piperita, Melissa officinalis, Salvia officinalis, and Urtica dioica

by Dorota Mańkowska and Katarzyna Dems-Rudnicka

Molecules 2025, 30(24), 4812; https://doi.org/10.3390/molecules30244812 - 17 Dec 2025

Viewed by 473

Abstract

The study was conducted to determine whether the origin of medicinal plants (conventional vs. organic cultivation) may affect the content of selected bioactive ingredients. This work complements the current state of knowledge on this subject by analysing the content of selected groups of [...] Read more.

The study was conducted to determine whether the origin of medicinal plants (conventional vs. organic cultivation) may affect the content of selected bioactive ingredients. This work complements the current state of knowledge on this subject by analysing the content of selected groups of bioactive compounds in four popular herb species (Mentha piperita, Melissa officinalis, Salvia officinalis, Urtica dioica). The aim of the study was to compare the total polyphenol (TPC) and flavonoid (TFC) content, antioxidant activity (AA) and phenolic compound profile in herbal extracts of organic and conventional origin. For all species examined, it was demonstrated that water-ethanol extracts from organically grown herbs contain statistically (p << 0.05) significantly more TPC, TFC and AA than water-ethanol extracts from conventionally grown herbs. Among the analysed extracts, the highest TPC was found in organic M. officinalis (7023.3 mg GAE/100 g d.m.), while the extract of this species from conventional cultivation contained only 3679.4 mg GAE/100 g d.m. TFC in the extracts of organic and conventional M. piperita was 1607.6 and 499.4 mg QE/100 g d.m., respectively. Based on GC-MS analysis, between 15 and 25 phenolic compounds were identified, depending on the species of herbal plant. Almost all the identified compounds were phenolic acids. The studies conducted indicate a statistically significantly higher content of antioxidant compounds in herbs from organic farming compared to conventionally grown herbs, and thus their greater health-promoting potential. Full article

(This article belongs to the Special Issue Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health—2nd Edition)

23 pages, 5241 KB

Open AccessArticle

Zeolite Heulandite Modified with N,N′-bis(3-Triethoxysilylpropyl)thiourea—Adsorption of Ni(II) and Cu(II) Ions: A Quantum Chemical Insight into the Mechanism

by Elena G. Filatova, Arailym M. Nalibayeva, Oksana V. Lebedeva, Sergey A. Beznosyuk, Andrey V. Ryabykh, Elizaveta N. Oborina, Yerlan N. Abdikalykov, Mirgul Zh. Turmukhanova, Igor B. Rozentsveig and Sergey N. Adamovich

Molecules 2025, 30(24), 4811; https://doi.org/10.3390/molecules30244811 - 17 Dec 2025

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Abstract

A new sorption material (GS) was obtained by the modification of heulandite zeolite (G) with N,N′-bis-(3-triethoxysilylpropyl)thiocarbamide (S). The composition, structure, and surface morphology of the GS material were confirmed using elemental analysis, IR-, NMR-spectroscopy, X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray [...] Read more.

A new sorption material (GS) was obtained by the modification of heulandite zeolite (G) with N,N′-bis-(3-triethoxysilylpropyl)thiocarbamide (S). The composition, structure, and surface morphology of the GS material were confirmed using elemental analysis, IR-, NMR-spectroscopy, X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), elemental mapping, and nitrogen adsorption/desorption (BET). The potential of GS as a sorbent for the removal of Cu(II) and Ni(II) ions from concentrated solutions was demonstrated. The nature of the adsorption of Cu(II) and Ni(II) ions was investigated using the Langmuir, Freundlich, and Dubinin–Radushkevich models. The adsorption value of Cu(II) and Ni(II) ions by the GS sorbent was found to be 1.7 and 2.1 times higher than that of heulandite, amounting to 0.128 mmol/g (8.1 mg/g) and 0.214 mmol/g (12.6 mg/g), respectively. The free energy of adsorption E for the adsorption of Cu(II) and Ni(II) ions was determined to be 12.5 and 16.2 kJ/mol, respectively. Calculations of changes in Gibbs energy based on quantum chemical modeling results (

Δ G_{298}^{0}

= −38.5 kJ/mol for Ni and

Δ G_{298}^{0}

= −56.5 kJ/mol for Cu) confirmed that adsorption of heavy metal ions onto the GS sample occurs through the formation of metal ion coordination complexes with the sorbent’s functional groups (chemosorption). The proposed method of obtaining new sorption materials based on natural heulandite is straightforward and cost-effective, enabling the production of high-capacity sorption products. Full article

(This article belongs to the Section Materials Chemistry)

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22 pages, 4757 KB

Open AccessArticle

Feasibility Analysis of Tetracycline Degradation in Water by O₃/PMS/FeMoBC Process

by Xuemei Li, Qingpo Li, Jian Wang, Zheng Wu, Shengnan Li and Hai Lu

Molecules 2025, 30(24), 4810; https://doi.org/10.3390/molecules30244810 - 17 Dec 2025

Viewed by 316

Abstract

In this study, the feasibility of tetracycline (TC) degradation in water using Fe–Mo co–supported biochar (FeMoBC) as catalyst combined with ozone and peroxymonosulfate (O₃/PMS) system is discussed. The experiment showed that the mineralization rate of TC by O₃/PMS/FeMoBC process [...] Read more.

In this study, the feasibility of tetracycline (TC) degradation in water using Fe–Mo co–supported biochar (FeMoBC) as catalyst combined with ozone and peroxymonosulfate (O₃/PMS) system is discussed. The experiment showed that the mineralization rate of TC by O₃/PMS/FeMoBC process reached 60.1% within 60 min, which was significantly higher than the treatment effect of O₃ or O₃/PMS system alone. Meanwhile, this process showed higher degradation efficiency under the background of raw water, and the loss of FeMoBC cycle attenuation performance was small. Twelve intermediates in the degradation of TC were identified by ultra-high performance liquid chromatography–tandem mass spectrometry (UPLC–MS/MS), and the possible degradation paths were inferred by quantum chemical calculation. In addition, the toxicity of intermediate products was evaluated by ecological structure–activity relationships (ECOSAR) and toxicity estimation software tool (T.E.S.T.) software, and the results showed that with the degradation of TC, its toxicity showed a downward trend as a whole. Therefore, this study confirmed that O₃/PMS/FeMoBC had high efficiency in degrading TC in actual water, which provided a new idea for the treatment of high concentration organic wastewater. Full article

(This article belongs to the Special Issue Functional Nanomaterials and Their Applications in the Environment Remediation)

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2 pages, 321 KB

Open AccessCorrection

Correction: Naveed et al. Purification, Characterization and Bactericidal Action of Lysozyme, Isolated from Bacillus subtillis BSN314: A Disintegrating Effect of Lysozyme on Gram-Positive and Gram-Negative Bacteria. Molecules 2023, 28, 1058

by Muhammad Naveed, Yadong Wang, Xian Yin, Malik Wajid Hussain Chan, Sadar Aslam, Fenghuan Wang, Baocai Xu and Asad Ullah

Molecules 2025, 30(24), 4809; https://doi.org/10.3390/molecules30244809 - 17 Dec 2025

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Abstract

In the original publication, an error was identified in Figure 7 as published [...] Full article

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32 pages, 1125 KB

Open AccessReview

Mesenchymal Stromal/Stem Cells (MSCs) in Cancer Therapy: Advanced Therapeutic Strategies Towards Future Clinical Translation

by Hanna Kucharczyk, Maciej Tarnowski and Marta Tkacz

Molecules 2025, 30(24), 4808; https://doi.org/10.3390/molecules30244808 - 17 Dec 2025

Viewed by 724

Abstract

Mesenchymal stromal/stem cells (MSCs) appear in many studies, and their utilization is a developing area of study. Scientists are investigating the abilities of MSCs and the possibilities of using them in anticancer therapies, as well as combining such therapies with those currently used [...] Read more.

Mesenchymal stromal/stem cells (MSCs) appear in many studies, and their utilization is a developing area of study. Scientists are investigating the abilities of MSCs and the possibilities of using them in anticancer therapies, as well as combining such therapies with those currently used clinically. This article provides an overview of MSC-based therapeutic strategies, assessing their potential in the context of cancer treatment. These are engineering or biotechnological approaches that utilize the natural properties of MSCs in a targeted and therapeutically effective manner. The review focuses on innovative methods such as genetic modifications to express desired therapeutic molecules, highlighting their potential applications in clinical practice. Innovative strategies include modifications to express anticancer proteins, miRNA (microRNA), siRNA (small interfering RNA), lncRNA (long non-coding RNA), and circRNA (circular RNA) that induce specific effects, as well as the delivery of therapeutic genes and oncolytic viruses. However, further studies are required to address the existing impediments, which are also discussed in this review. A major challenge in the clinical application of MSCs is their bidirectional role, an issue that remains a central focus of current research and is examined in this article. Full article

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14 pages, 663 KB

Open AccessArticle

Development and Validation of an LC-MS/MS Method for the Quantification of Methenamine in Raw Milk and Bovine Muscle and Its Application to Incurred Samples

by Sunjin Park, Chung-Oui Hong, Se-Hyung Kim, Seon-Young Lee, Inhae Jeon, Do Hui Kim, Hyun-Ok Ku and Mi-Young Park

Molecules 2025, 30(24), 4807; https://doi.org/10.3390/molecules30244807 - 17 Dec 2025

Viewed by 345

Abstract

Methenamine, a urinary antiseptic with antimicrobial properties, decomposes into toxic formaldehyde under acidic conditions. Its use is prohibited in dairy cattle in Korea to prevent harmful residues in milk. This study was designed to develop and validate a sensitive and reliable LC–MS/MS method [...] Read more.

Methenamine, a urinary antiseptic with antimicrobial properties, decomposes into toxic formaldehyde under acidic conditions. Its use is prohibited in dairy cattle in Korea to prevent harmful residues in milk. This study was designed to develop and validate a sensitive and reliable LC–MS/MS method for determining methenamine in raw milk and bovine muscle in compliance with the Positive List System (PLS) regulations. Samples were extracted with acetonitrile (ACN)–methanol (MeOH) (7:3, v/v) containing ammonia water, followed by defatting with n-hexane and purification with primary secondary amine (PSA). Chromatographic separation was performed on a hydrophilic interaction liquid chromatography (HILIC) column, and quantification was conducted using matrix-matched calibration to minimize matrix effects. The method showed excellent linearity (R² > 0.999), low limits of quantification (LOQ) (0.49 μg/kg for raw milk; 0.64 μg/kg for bovine muscle), and acceptable recoveries (78.1–102.8%) with precision (CV ≤ 8.75%), meeting Codex CAC/GL 71-2009 criteria. Stability studies demonstrated that methenamine remained stable in stock solutions, working standards and processed extracts under the storage and handling conditions used. Application to incurred samples resulted in the detection of methenamine in 2 of 32 raw milk samples (0.65 and 1.14 μg/kg) but in none of the 25 bovine muscle samples, with all detected levels below the Korean PLS limit. These findings confirm that the developed method is accurate, sensitive, and applicable for routine surveillance of methenamine residues to ensure consumer safety. Full article

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17 pages, 1137 KB

Open AccessArticle

Purification and Biochemical Characterization of Polyphenol Oxidase from Falcaria vulgaris Bernh.

by Ceylan Buse Atlas Okut and Ayşe Türkhan

Molecules 2025, 30(24), 4806; https://doi.org/10.3390/molecules30244806 - 17 Dec 2025

Viewed by 287

Abstract

The polyphenol oxidase (PPO) enzyme leads to undesirable consequences by causing enzymatic browning during the processing of vegetables and fruits. As these browning reactions occur, many phenolic compounds of PPO can lead to significant changes in active metabolites due to substrate utilization. This [...] Read more.

The polyphenol oxidase (PPO) enzyme leads to undesirable consequences by causing enzymatic browning during the processing of vegetables and fruits. As these browning reactions occur, many phenolic compounds of PPO can lead to significant changes in active metabolites due to substrate utilization. This may cause a loss of appearance and nutritional and commercial value of food. The sickleweed (Falcaria vulgaris Bernh.) plant studied in the current research is considered an edible and medicinal food. In the present research, polyphenol oxidase was purified 15.65-fold with a yield of 23.61% by affinity chromatography. The optimum pH and temperature for catechol, 4-methylcatechol, and 3,4-dihydroxyphenylpropionic acid substrates were determined in separate experiments. For all three substrates, the optimum pH was 7.0, while the optimum temperature was 20 °C. The catalytic efficiency ratio (V_max/K_m) was employed to assess the substrate specificity. Since the highest V_max/K_m ratio reflects the greatest substrate affinity, 4-methylcatechol was identified as the substrate with the highest affinity for sickleweed PPO based on these values. pH stability and thermal stability were examined in the presence of 4-methylcatechol. The inhibitory effects of widely used antibrowning agents, sodium metabisulphite, citric acid, and ascorbic acid, on PPO activity were investigated. The results show that ascorbic acid was the most efficient inhibitor. Full article

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19 pages, 4294 KB

Open AccessArticle

Adsorption of Zinc Ions from Aqueous Solutions on Polymeric Sorbents Based on Acrylonitrile-Divinylbenzene Networks Bearing Aminophosphonate Groups

by Lavinia Lupa, Aurelia Visa, Adriana Popa, Maria Valentina Dinu, Ionela Fringu and Ecaterina Stela Dragan

Molecules 2025, 30(24), 4805; https://doi.org/10.3390/molecules30244805 - 17 Dec 2025

Viewed by 242

Abstract

Contamination of natural water sources with zinc ions poses serious ecological and health risks due to its toxicity and persistence. In this context, this study presents the preparation of new adsorbents based on acrylonitrile-divinylbenzene networks functionalized with aminophosphonate groups, selected for their strong [...] Read more.

Contamination of natural water sources with zinc ions poses serious ecological and health risks due to its toxicity and persistence. In this context, this study presents the preparation of new adsorbents based on acrylonitrile-divinylbenzene networks functionalized with aminophosphonate groups, selected for their strong chelating affinity towards Zn(II) ions. Both unmodified and functionalized materials were evaluated in adsorption experiments towards zinc ions. The adsorption capacity was evaluated as a function of the contact time and the initial zinc concentration. The functionalized adsorbents exhibited a significantly higher adsorption of zinc, attributed to the presence of aminophosphonate groups. In case of functionalisation with ethyl phosphonate group is achieved a maximum adsorption capacity of 101 mg/g. The equilibrium data followed the Langmuir isotherm, indicating monolayer adsorption, while the kinetic analysis followed the pseudo-second-order model, consistent with chemisorption. The optimal contact time was 60 min. Functionalized polymeric supports show strong potential for zinc ion removal, supporting their use in environmental remediation. Overall, the results demonstrate that aminophosphonate-functionalized polymers are highly effective adsorbents for the removal of zinc ions from contaminated waters. Full article

(This article belongs to the Special Issue Innovative Approaches to Sustainable Wastewater Treatment—Recent Developments in Hazardous Pollutants Removal)

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2 pages, 126 KB

Open AccessCorrection

Correction: Huang et al. Constructing Molybdenum Phosphide@Cobalt Phosphide Heterostructure Nanoarrays on Nickel Foam as a Bifunctional Electrocatalyst for Enhanced Overall Water Splitting. Molecules 2023, 28, 3647

by Yingchun Huang, Hongming Chen and Busheng Zhang

Molecules 2025, 30(24), 4804; https://doi.org/10.3390/molecules30244804 - 17 Dec 2025

Viewed by 151

Abstract

In the original publication [...] Full article

28 pages, 2024 KB

Open AccessArticle

Adsorption Performance Assessment of Agro-Waste-Based Biochar for the Removal of Emerging Pollutants from Municipal WWTP Effluent

by Dragana Lukić, Vesna Vasić, Jelena Živančev, Igor Antić, Sanja Panić, Mirjana Petronijević and Nataša Đurišić-Mladenović

Molecules 2025, 30(24), 4803; https://doi.org/10.3390/molecules30244803 - 17 Dec 2025

Viewed by 392

Abstract

Wastewater treatment plants (WWTPs) have been identified as the major sources of contaminants of emerging concern (CECs) in water bodies, as they are not designed to remove organic micropollutants efficiently. Consequently, many technologies have been explored for WWTP upgrading, including activated carbon adsorption. [...] Read more.

Wastewater treatment plants (WWTPs) have been identified as the major sources of contaminants of emerging concern (CECs) in water bodies, as they are not designed to remove organic micropollutants efficiently. Consequently, many technologies have been explored for WWTP upgrading, including activated carbon adsorption. However, the high production cost and environmental challenges associated with activated carbon production limit its application in industrial settings. Therefore, a wide range of alternative materials has been investigated as potential replacements. In this study, biochar produced from waste raspberry biomass was evaluated as an adsorbent for the removal of pharmaceuticals and pesticides quantified in the secondary effluent of municipal WWTP. The results showed that the biochar efficiently removed almost all detected compounds, except for three compounds (clarithromycin, propranolol, and linuron). The wastewater pH (6–8) did not significantly affect removal efficiency significantly, and kinetic tests demonstrated rapid adsorption. The potential for biochar reuse was confirmed through three consecutive batch adsorption cycles. A comparative study between biochar and powdered activated carbon (PAC) revealed some differences in efficiency, primarily attributed to the larger surface area of PAC. π-π interactions, hydrogen bonding, and pore-filling were proposed as possible adsorption mechanisms based on the adsorption efficiency and biochar characterization. Full article

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15 pages, 3167 KB

Open AccessArticle

Exploring EGFR, Nectin-4, and TROP-2 as Therapeutic Targets for Bladder Cancer Photoimmunotherapy

by Isis Wolf, Nora Giess, Céline Roider, Susanne Schultze-Seemann, Jonas Storz, Daniel B. Werz, Arkadiusz Miernik, Christian Gratzke and Philipp Wolf

Molecules 2025, 30(24), 4802; https://doi.org/10.3390/molecules30244802 - 17 Dec 2025

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Abstract

Background: Non-muscle invasive bladder cancer (NMIBC) has limited therapeutic options and high recurrence rates. Photoimmunotherapy (PIT) enables targeted tumor ablation using antibody-photosensitizer conjugates and light activation. We evaluated EGFR, Nectin-4, and TROP-2 as PIT targets using cysteine-modified antibodies conjugated to the photosensitizer WB692-CB2. [...] Read more.

Background: Non-muscle invasive bladder cancer (NMIBC) has limited therapeutic options and high recurrence rates. Photoimmunotherapy (PIT) enables targeted tumor ablation using antibody-photosensitizer conjugates and light activation. We evaluated EGFR, Nectin-4, and TROP-2 as PIT targets using cysteine-modified antibodies conjugated to the photosensitizer WB692-CB2. Methods: Antibodies derived from Cetuximab (Cmb, anti-EGFR), Enfortumab (Enf, anti-Nectin-4), and Sacituzumab (Sac, anti-TROP-2) were engineered with T120C and D265C mutations in the heavy chains for site-specific dye conjugation. Binding of the conjugates to BC cells was tested by flow cytometry and light-induced cytotoxicity of the conjugates, alone or in combination, was assessed by viability assays following irradiation. Results: Cysteine-modified antibodies were produced as intact IgG molecules and were efficiently conjugated with WB692-CB2 without loss of antigen specificity. Sac^T120C/D265C-WB692-CB2 showed the highest target binding and achieved near-complete cell killing at a red-light dose of 32 J/cm². Cmb^T120C/D265C-WB692-CB2 required a fourfold higher light dose for comparable efficacy, while Enf^T120C/D265C-WB692-CB2 demonstrated lower potency. No cytotoxicity was observed in antigen-negative cells. Combined treatment enhanced cytotoxicity, indicating additive phototherapeutic effects. Conclusions: Our findings suggest that PIT targeting EGFR, Nectin-4, or TROP-2 merits further preclinical development as a targeted therapeutic approach for NMIBC, including potential combinatorial or personalized strategies. Full article

(This article belongs to the Special Issue Antibody/Peptide–Drug Conjugates: Synthesis and Applications)

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2 pages, 135 KB

Open AccessRetraction

RETRACTED: Ibrahim et al. Hepatoprotective Effects of Biochanin A on Thioacetamide-Induced Liver Cirrhosis in Experimental Rats. Molecules 2023, 28, 7608

by Mohamed Yousif Ibrahim, Zaenah Zuhair Alamri, Ameena S. M. Juma, Sarah Ashour Hamood, Suhayla Hamad Shareef, Mahmood Ameen Abdulla and Soher Nagi Jayash

Molecules 2025, 30(24), 4801; https://doi.org/10.3390/molecules30244801 - 17 Dec 2025

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Abstract

The Journal retracts the article “Hepatoprotective Effects of Biochanin A on Thioacetamide-Induced Liver Cirrhosis in Experimental Rats” [...] Full article

16 pages, 2334 KB

Open AccessArticle

La-Doped ZnO/SBA-15 for Rapid and Recyclable Photodegradation of Rhodamine B Under Visible Light

by Ziyang Zhou, Weiye Yang, Jiuming Zhong, Hongyan Peng and Shihua Zhao

Molecules 2025, 30(24), 4800; https://doi.org/10.3390/molecules30244800 - 16 Dec 2025

Viewed by 352

Abstract

La-doped ZnO nanoclusters confined within mesoporous SBA-15 were synthesized using an impregnation–calcination method and evaluated for their visible-light-driven photocatalytic degradation of Rhodamine B (RhB). Small-angle X-ray diffraction (XRD) and transmission electron microscopy (TEM) confirmed the preservation of the 2D hexagonal mesostructure of SBA-15 [...] Read more.

La-doped ZnO nanoclusters confined within mesoporous SBA-15 were synthesized using an impregnation–calcination method and evaluated for their visible-light-driven photocatalytic degradation of Rhodamine B (RhB). Small-angle X-ray diffraction (XRD) and transmission electron microscopy (TEM) confirmed the preservation of the 2D hexagonal mesostructure of SBA-15 post-loading. In contrast, wide-angle XRD and Fourier-transform infrared spectroscopy (FT-IR) analyses revealed that the incorporated ZnO existed predominantly as highly dispersed amorphous or ultrafine clusters within the mesopores. N₂ adsorption–desorption measurements exhibited Type IV isotherms with H1 hysteresis loops. Compared to pristine SBA-15, the specific surface area and pore volume of the composites decreased from 729.35 m² g⁻¹ to 521.32 m² g⁻¹ and from 1.09 cm³ g⁻¹ to 0.85 cm³ g⁻¹, respectively, accompanied by an apparent increase in the average pore diameter from 5.99 nm to 6.55 nm, attributed to non-uniform pore occupation. Under visible-light irradiation, the photocatalytic performance was highly dependent on the La doping level. Notably, the 5% La-ZnO/SBA-15 sample exhibited superior activity, achieving over 99% RhB removal within 40 min and demonstrating the highest apparent rate constant (k = 0.1152 min⁻¹), surpassing both undoped ZnO/SBA-15 (k = 0.0467 min⁻¹) and other doping levels. Reusability tests over four consecutive cycles showed a consistent degradation efficiency exceeding 93%, with only a ~7 percentage-point decline, indicating excellent structural stability and recyclability. Radical scavenging experiments identified h⁺, ·OH, and ·O₂⁻ as the primary reactive species. Furthermore, photoluminescence (PL) quenching observed at the optimal 5% La doping level suggested suppressed radiative recombination and enhanced charge carrier separation. Collectively, these results underscore the synergistic effect of La doping and mesoporous confinement in achieving fast, efficient, and recyclable photocatalytic degradation of organic pollutants. Full article

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15 pages, 4284 KB

Open AccessArticle

Chemical Composition and Free Radical Content During Saharan Dust Episode in SE Poland

by Bogumił Cieniek, Dariusz Płoch, Julia Brewka, Katarzyna Kluska, Ireneusz Stefaniuk and Idalia Kasprzyk

Molecules 2025, 30(24), 4799; https://doi.org/10.3390/molecules30244799 - 16 Dec 2025

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Abstract

This study aimed to verify whether Saharan dust reached south-eastern Poland in spring 2025 and to assess its influence on the chemical composition and oxidative potential of particulate matter. Using an ultra-sensitive Dekati instrument, aerosols were measured across fifteen size fractions (6 nm–10 [...] Read more.

This study aimed to verify whether Saharan dust reached south-eastern Poland in spring 2025 and to assess its influence on the chemical composition and oxidative potential of particulate matter. Using an ultra-sensitive Dekati instrument, aerosols were measured across fifteen size fractions (6 nm–10 µm), enabling the detection of particulate matter even in the finest particles—a feature not previously documented for Saharan dust. Electron paramagnetic resonance spectroscopy was used to quantitatively determine and identify radicals associated with different PM fractions. The analysis revealed a high content of ultrafine particulate matter (<1 µm), which may pose a potential risk to human health. The chemical composition of the particulate matter confirmed the long-range transport of Saharan dust over SE Poland at the beginning of March 2025. EPR measurements indicated a relatively large amount of pollutants that exhibited magnetic properties, which were not detected in the control samples. The use of advanced measurement instrumentation enabled the detection of ultrafine fractions and the identification of free radicals associated with Saharan dust, providing new insight into its oxidative potential and chemical reactivity. Full article

(This article belongs to the Special Issue Chemical Analysis of Pollutant in the Environment)

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33 pages, 1861 KB

Open AccessReview

Chondroitin Sulfate-Based Nanoplatforms: Advances and Challenges for Cancer Therapy

by Ludovica Scorzafave, Marco Fiore, Giuseppe Cirillo, Fiore Pasquale Nicoletta, Francesca Iemma and Manuela Curcio

Molecules 2025, 30(24), 4798; https://doi.org/10.3390/molecules30244798 - 16 Dec 2025

Viewed by 542

Abstract

Chondroitin sulfate (CS)-based nanoparticles have emerged as versatile and multifunctional platforms for cancer therapy, integrating effective drug delivery with diagnostic capabilities. Their ability to exploit the enhanced permeability and retention (EPR) effect enables selective accumulation within tumor tissues, while surface modification with CS [...] Read more.

Chondroitin sulfate (CS)-based nanoparticles have emerged as versatile and multifunctional platforms for cancer therapy, integrating effective drug delivery with diagnostic capabilities. Their ability to exploit the enhanced permeability and retention (EPR) effect enables selective accumulation within tumor tissues, while surface modification with CS enhances targeting efficiency through strong conformational and electrostatic affinity for CD44 receptors, which are overexpressed in many cancer cells. In addition, CS interacts with E-selectin, providing dual-targeting capabilities superior to those of other polysaccharides such as hyaluronic acid. A wide variety of CS-derived nanostructures—including micelles, nanogels, hybrid liposomes, and CS–drug conjugates—have shown great potential not only in drug delivery but also in advanced therapeutic modalities such as photodynamic, sonodynamic, and immunotherapy. This review discusses recent advances (2020–2025) in CS-based nanoplatforms for cancer therapy, with particular emphasis on the role of CS within nanostructures. It highlights how the functionalization of nanoparticles with CS represents a powerful strategy to improve colloidal stability, pharmacokinetics, and receptor-mediated uptake, thereby enabling controlled, site-specific drug release and reducing off-target toxicity. Ultimately, these advances open new opportunities for cancer treatment, with the potential for bench-to-clinic translation through the integration of AI-guided design, organelle-specific targeting, multi-pathway modulation, and immune system engagement. Full article

(This article belongs to the Special Issue Review Papers in Materials Chemistry—2nd Edition)

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16 pages, 1057 KB

Open AccessArticle

Discovery and Activity Evaluation of Novel Dibenzoxazepinone Derivatives as Glycogen Phosphorylase Inhibitors

by Dongrui Liu, Zhiwei Yan, Youde Wang, Shuai Li, Yachun Guo, Tienan Wang, Jinjia Guo and Liying Zhang

Molecules 2025, 30(24), 4797; https://doi.org/10.3390/molecules30244797 - 16 Dec 2025

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Abstract

Inhibition of glycogen phosphorylases (GP) has been regarded as a therapeutic strategy for blood glucose control in diabetes. In this study, a series of novel dibenzoxazepinone derivatives was synthesized. The in vitro activity screening results indicated that compound Id most significantly inhibited glycogen [...] Read more.

Inhibition of glycogen phosphorylases (GP) has been regarded as a therapeutic strategy for blood glucose control in diabetes. In this study, a series of novel dibenzoxazepinone derivatives was synthesized. The in vitro activity screening results indicated that compound Id most significantly inhibited glycogen phosphorylase (GP) activity, with an IC₅₀ of 266 ± 1 nM, which was superior to the positive control drug PSN-357, a Phase II clinical GP inhibitor from Japan’s OSI Corporation. In vivo experiments showed that Id could significantly reduce blood glucose levels in adrenaline-induced acute hyperglycemic mice and high-fat-diet-induced obese and diabetic (DIO) mice. Full article

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28 pages, 1566 KB

Open AccessArticle

Modulating the Bioavailability and Bioaccessibility of Polyphenolic Compounds and Enhancing Health-Promoting Properties Through the Addition of Herbal Extracts to a Functional Beverage

by Hanna Mikołajczak and Paulina Nowicka

Molecules 2025, 30(24), 4796; https://doi.org/10.3390/molecules30244796 - 16 Dec 2025

Viewed by 329

Abstract

Shots are becoming increasingly popular due to their convenience and concentrated nutrient content. In this study, innovative shots were developed as herbal-enriched formulations designed to improve bioaccessibility, bioavailability, and health-promoting properties. To achieve this, pear–flowering quince juice was enriched with a mixture of [...] Read more.

Shots are becoming increasingly popular due to their convenience and concentrated nutrient content. In this study, innovative shots were developed as herbal-enriched formulations designed to improve bioaccessibility, bioavailability, and health-promoting properties. To achieve this, pear–flowering quince juice was enriched with a mixture of herbal infusions and evaluated for its physicochemical characteristics, including bioactive compounds, as well as its functional and sensory properties. Additionally, the products were subjected to a three-stage in vitro digestion model (oral–gastric–small intestine) to assess bioaccessibility and bioavailability. The results revealed that the shot containing mint and nettle had the highest polyphenolic content (579 mg/100 mL), while the shot enriched with white mulberry and common yarrow had the highest mineral content (28 mg/100 mL). The developed formulations also exhibited strong inhibitory effects on pancreatic lipase and lipoxygenase. It was demonstrated that the addition of selected herbs, particularly those rich in rosmarinic acid, can enhance both bioaccessibility and bioavailability, and that menthol may further potentiate these effects. In conclusion, the study showed that incorporating different types of herbs into pear–flowering quince juice enables the development of novel products with tailored health-promoting and sensory properties, primarily through the synergistic action of the individual ingredients. Full article

(This article belongs to the Special Issue Bioactive Compounds: Applications and Benefits for Human Health)

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18 pages, 15382 KB

Open AccessArticle

Optimization of Natural Deep Eutectic Solvent-Assisted Extraction of Rosmarinic Acid from Thunbergia laurifolia Lindl. and Evaluation of Antioxidant Activity

by Krittima Kriengsaksri, Wisuwat Thongphichai, Tamonwan Uttarawichien, Jasadakorn Khoochonthara, Pasarapa Towiwat and Suchada Sukrong

Molecules 2025, 30(24), 4795; https://doi.org/10.3390/molecules30244795 - 16 Dec 2025

Viewed by 363

Abstract

Thunbergia laurifolia Lindl. is a plant known for its promising biological activity, including antioxidant and anti-inflammatory activities, and a rich source of rosmarinic acid (RA). The extraction of T. laurifolia for cosmetic and skincare products using conventional solvents has encountered difficulties, including safety [...] Read more.

Thunbergia laurifolia Lindl. is a plant known for its promising biological activity, including antioxidant and anti-inflammatory activities, and a rich source of rosmarinic acid (RA). The extraction of T. laurifolia for cosmetic and skincare products using conventional solvents has encountered difficulties, including safety concerns, skin irritation, undesirable odors, and inefficient extraction. In this work, 14 types of natural deep eutectic solvents (NaDESs) with varying compositions and ratios were investigated to compare their efficiency in extracting RA from T. laurifolia by HPLC analysis. The NaDES with the highest extraction efficiency was further utilized in ultrasonic-assisted extraction (UAE), and the extraction parameters were optimized using response surface methodology. The optimized RA content and DPPH scavenging activity were predicted by response surfaces methodology to be 7.52 mg/g DW and 37.6 mg TE/g DW, respectively. The optimal extraction condition was achieved using a propylene glycol-lactic acid NaDES (at an 8:1 molar ratio) with 37% (w/w) H₂O, a 30 mL/g liquid-to-solid ratio, an 80 °C extraction temperature, and a 32 min extraction time. The optimized extract was proved to suppress ROS in H₂O₂-induced keratinocytes. The extract demonstrated robust stability against basic, oxidative, and photolytic stresses, and maintained long-term chemical stability up to 90 days. This study introduces a new green solvent for the effective extraction of T. laurifolia, thereby improving the safety and quality of the extracts for skincare and cosmetic products. Full article

(This article belongs to the Special Issue Natural Deep Eutectic Solvents and Other Green Solvents: The New Lights for Extraction and Valorization of Bioactive Phytochemical Compounds)

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