Molecules

15 pages, 1885 KB

Open AccessArticle

Phenolic Compounds from Cinnamomum camphora Roots: Extraction Optimization, Purification, Isolation, and Bioactivity Evaluation

by Jinhua Long, Wei Zheng, Lu Liu, Yuting Pang, Yijia Zhang, Yuping Luan and Nan Xu

Molecules 2026, 31(9), 1550; https://doi.org/10.3390/molecules31091550 - 6 May 2026

Viewed by 773

Abstract

Previous studies have demonstrated that C. camphora exhibits diverse bioactivities, but its roots, particularly their phenolic constituents, remain largely unexplored. In this study, we optimized the extraction and purification of total phenolics from C. camphora roots, isolated their chemical constituents, and evaluated their [...] Read more.

Previous studies have demonstrated that C. camphora exhibits diverse bioactivities, but its roots, particularly their phenolic constituents, remain largely unexplored. In this study, we optimized the extraction and purification of total phenolics from C. camphora roots, isolated their chemical constituents, and evaluated their bioactivities. Response surface methodology yielded optimal conditions of 71% ethanol, 78 °C, and a liquid-to-solid ratio of 24:1 (mL/g), giving a total phenolic content of 3.60 mg/g. Purification with HPD-600 resin followed pseudo-second-order kinetics (R² = 0.9987). From the enriched phenolic fraction, twelve phenolic compounds were isolated, seven of which are reported from C. camphora roots for the first time. The enriched fraction exhibited strong antioxidant activities (DPPH IC₅₀ = 107.21 μg/mL; •OH IC₅₀ = 130.7 μg/mL; O₂⁻ IC₅₀ = 141.70 μg/mL) and significant pancreatic lipase inhibitory activity (IC₅₀ = 0.80 mg/mL). This integrated approach expands the chemical diversity of C. camphora roots and highlights their potential as a natural source of antioxidants and lipid-lowering agents. Full article

(This article belongs to the Special Issue Biological Evaluation of Plant Extracts, 2nd Edition)

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25 pages, 19059 KB

Open AccessArticle

Influence Mechanism of PA on the Thermal Decomposition of RDX Based on ReaxFF MD and DFT

by Siman Guan, Zhijun Wang, Jianping Yin, Ruijie Hao and Qing Ji

Molecules 2026, 31(9), 1549; https://doi.org/10.3390/molecules31091549 - 6 May 2026

Viewed by 930

Abstract

To elucidate the physicochemical mechanisms underlying the violent explosion triggered by nylon (PA) jet penetration into explosive reactive armor, the thermal decomposition behavior of RDX and the influence mechanism of PA on its thermal reaction were studied by reaction molecular dynamics simulation and [...] Read more.

To elucidate the physicochemical mechanisms underlying the violent explosion triggered by nylon (PA) jet penetration into explosive reactive armor, the thermal decomposition behavior of RDX and the influence mechanism of PA on its thermal reaction were studied by reaction molecular dynamics simulation and quantum chemical calculation, which were compared with experimental research. The study reveals that the decomposition of RDX is primarily initiated through pathways such as N–NO₂ homolysis, HONO elimination, and concerted ring-opening. The addition of PA reduces the energy barrier for N–N bond homolysis and provides hydrogen atoms to initiate HONO elimination via a heterogeneous pathway with a lower energy barrier, thereby promoting the initial decomposition of RDX. The free radicals produced by the decomposition of PA and RDX participate in a synergistic reaction, efficiently yielding stable products and significantly altering the distribution of intermediate species. The introduction of PA lowers the activation energy barrier for RDX decomposition and supplies hydrocarbon fragments as fuel for the reaction, facilitating rapid decomposition and initiation. This work clarifies the dual mechanism by which PA promotes RDX detonation from the perspective of microscopic reaction kinetics, providing theoretical insights for understanding and modulating the response of explosives under complex impact conditions. Full article

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24 pages, 21783 KB

Open AccessArticle

Molecular Dynamics Investigation of Adhesion Mechanisms at the Asphalt-Defective Aggregate Interface: Chloride Erosion, Temperature Effects, and Ion Diffusion Analysis

by Zhenjun Nie, Hongfei Wang, Jianzhong Wang and Renlong Huang

Molecules 2026, 31(9), 1548; https://doi.org/10.3390/molecules31091548 - 6 May 2026

Viewed by 504

Abstract

The adhesion between asphalt and aggregate significantly influences the durability and lifespan of road structures. This study employs molecular dynamics simulations to investigate the interface behavior between asphalt and aggregates with varying defect sizes under chloride salt solution immersion and ion infiltration (physical [...] Read more.

The adhesion between asphalt and aggregate significantly influences the durability and lifespan of road structures. This study employs molecular dynamics simulations to investigate the interface behavior between asphalt and aggregates with varying defect sizes under chloride salt solution immersion and ion infiltration (physical erosion without chemical reactions). The interfacial adhesion energy (E_int), relative ion concentration (R_C), mean square displacement (MSD), and hydrogen bond count were analyzed to assess the adhesion performance of asphalt at the defective aggregate interface. The effects of chloride concentration and temperature on adhesion were also examined. Results indicate that aggregate surface defects enhance local asphalt adhesion within the defect region, although larger defects reduce the global interfacial adhesion energy normalized by total area: the adhesion energy decreases from −417 kcal/mol (defect-free) to −315 kcal/mol (20 Å) and −277 kcal/mol (30 Å), with a reduction of 24–34%. Additionally, defects accelerate ion diffusion significantly, with diffusion coefficients of water and ions increasing by up to 69%, promoting chloride ion accumulation, which exacerbates erosion physical interface deterioration. Both elevated temperature and chloride concentration further accelerate this degradation physical interface weakening, with high temperatures causing severe interface damage: adhesion energy decreases by about 28% as temperature rises from 290 K to 340 K, and by 15% as NaCl concentration increases from 0% to 20%. These findings offer a theoretical foundation for understanding the adhesion mechanisms of the asphalt–aggregate interface under chloride erosion chloride ion infiltration and physical erosion and provide insights into enhancing chloride resistance to chloride ion infiltration of road materials. Full article

(This article belongs to the Special Issue 30th Anniversary of Molecules—Recent Advances in Physical Chemistry)

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21 pages, 1749 KB

Open AccessArticle

Total Synthesis of 8-Hydroxy-dihydroergotamine, the Major Human Metabolite of Dihydroergotamine

by Manuel Monerris Mascaro, Alistair P. Henderson, Marta Drozdowska, Rachel Richardson, Dylan Nagel-Savage, Michael J. Hall, Alexandra Longcake, Lina Mardiana and Bernard T. Golding

Molecules 2026, 31(9), 1547; https://doi.org/10.3390/molecules31091547 - 6 May 2026

Viewed by 667

Abstract

8-Hydroxy-dihydroergotamine is the major human metabolite of the anti-migraine drug dihydroergotamine and is required, along with a stable isotope-labelled derivative, to aid metabolic studies. An efficient, scalable synthesis of the unlabelled compound is described via the coupling of dihydrolysergic acid to the tricyclic [...] Read more.

8-Hydroxy-dihydroergotamine is the major human metabolite of the anti-migraine drug dihydroergotamine and is required, along with a stable isotope-labelled derivative, to aid metabolic studies. An efficient, scalable synthesis of the unlabelled compound is described via the coupling of dihydrolysergic acid to the tricyclic amino compound (2R,5S,8R,10aS,10bS)-2-amino-5-benzyl-10b-hydroxy-8-methoxy-2-methyltetrahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-3,6(2H,5H)-dione. The tricycle was obtained by a convergent synthesis combining precursors from suitably protected L-glutamic acid and L-phenylalanine, and 2-bromo-2-methylmalonic acid. For the labelled molecule, the tricyclic precursor contained a pentadeutero benzyl group derived from [2,3,4,5,6-²H₅]L-phenylalanine. Considerable experimentation was required to achieve optimal activation of dihydrolysergic acid for efficient amide formation with the tricycle’s amino function affording 8-methoxy-dihydroergotamine. The stereochemical integrity of an intermediate in this synthesis, ethyl (2R,5S,8R,10aS)-5-benzyl-10b-hydroxy-8-methoxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboxylate, was validated by crystal structure analysis. Acid-catalysed hydrolysis of 8-methoxy-dihydroergotamine gave 8-hydroxy-dihydroergotamine. Pentadeuterated 8-hydroxy-dihydroergotamine was obtained in an analogous manner from [2,3,4,5,6-²H₅]L-phenylalanine. Both 8-hydroxy-dihydroergotamine and its ²H₅-derivative were obtained as an equilibrating mixture of C-8 epimers (diastereomers), with the major isomer having (R)-configuration according to ¹H NMR analysis. The syntheses described enable the routine synthesis of 50–100 mg quantities of each target molecule. Full article

(This article belongs to the Special Issue 30th Anniversary of Molecules—Recent Advances in Organic Chemistry)

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28 pages, 3256 KB

Open AccessReview

Synthesis and Bioactivity Studies of Benzimidazole–Chalcone Hybrids

by Herman D. Makgoathana, Siyanda T. Mthembu, Thandi V. Mhlanga, Mamoalosi A. Selepe and Molahlehi S. Sonopo

Molecules 2026, 31(9), 1546; https://doi.org/10.3390/molecules31091546 - 6 May 2026

Viewed by 741

Abstract

Chalcones featuring α,β–unsaturated carbonyl group are associated with an extensive range of pharmacological properties. The synthesized derivatives of benzimidazole–chalcone are prominent classes of bioactive compounds that have demonstrated significant applications. Recently, there has been an encouraged demand for synthesizing aromatic N–heterocyclic α,β–unsaturated [...] Read more.

Chalcones featuring α,β–unsaturated carbonyl group are associated with an extensive range of pharmacological properties. The synthesized derivatives of benzimidazole–chalcone are prominent classes of bioactive compounds that have demonstrated significant applications. Recently, there has been an encouraged demand for synthesizing aromatic N–heterocyclic α,β–unsaturated hybrids that comprise benzimidazole–chalcones, which could be evaluated for activities against several diseases. The current review presents the synthetic approaches of the recently prepared benzimidazole–chalcone compounds and their biological applications. The biological activity studies include cytotoxicity against several cancer cells, antibacterial, antifungal, antileishmanial, antimalarial, antiviral and antidiabetic activities. The in silico studies of hybridized benzimidazole–chalcones are also discussed. Therefore, the review shows the significance of benzimidazole–chalcone derivatives and their potential as effective bioactive agents. Full article

(This article belongs to the Special Issue Bioactive Natural Products: The Potential Sources of New Drugs)

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43 pages, 3453 KB

Open AccessReview

Polysaccharides: Nature’s Guardians of Freshness in Food Preservation

by Amanullah Sabir, Sadaqat Ali, Muhammad Zubair Khalid, Ashoka Shankarappa, V. J. Sangeetha, Samreen Ahsan, Anand Kumar, Kamran, Kit-Leong Cheong and Saiyi Zhong

Molecules 2026, 31(9), 1545; https://doi.org/10.3390/molecules31091545 - 6 May 2026

Cited by 4 | Viewed by 1387

Abstract

Polysaccharides are structurally diverse biopolymers composed of multiple monosaccharide units linked through glycosidic bonds. Their complexity, biodegradability, and functional versatility make them integral to biological systems as well as modern industrial application. Sourced from plants, fungi, marine organisms, animals, and microbes, these natural [...] Read more.

Polysaccharides are structurally diverse biopolymers composed of multiple monosaccharide units linked through glycosidic bonds. Their complexity, biodegradability, and functional versatility make them integral to biological systems as well as modern industrial application. Sourced from plants, fungi, marine organisms, animals, and microbes, these natural polymers exhibit a broad spectrum of bioactivities, including antioxidant, antimicrobial, immunomodulatory, and physicochemical protective functions. In the context of food preservation, polysaccharides have gained significant attention as sustainable alternatives to synthetic preservatives and conventional packaging materials. This review summarizes the classification and structural attributes of polysaccharides that influence their functional performance, particularly their ability to scavenge free radicals, inhibit foodborne pathogens, and form protective barrier systems. Special emphasis is placed on their use in edible films, coatings, and encapsulation systems that enhance the shelf life of fruits, vegetables, meats, dairy, beverages, and bakery products. Challenges related to stability, sensory impact, and regulatory compliance are also discussed. Overall, polysaccharides demonstrate substantial potential as eco-friendly, bioactive packaging agents and controlled-release carriers, contributing to safer, greener, and more sustainable food preservation technologies. Full article

(This article belongs to the Special Issue Bioactive Compounds from Natural Sources: Discovery, Evaluation and Applications, 2nd Edition)

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18 pages, 2751 KB

Open AccessArticle

Keratin-Integrated Latex–Hydrogel Coatings: Biopolymer Design for Functional Agrotextile Materials

by Mirosława Prochoń, Szymon Szczepanik, Oleksandra Dzeikala and Robert Adamski

Molecules 2026, 31(9), 1544; https://doi.org/10.3390/molecules31091544 - 6 May 2026

Cited by 1 | Viewed by 546

Abstract

This work introduces a circular biopolymer-based strategy for valorizing keratin-rich industrial residues through the fabrication of biodegradable cotton agrotextiles functionalized with latex–hydrogel coatings. Keratin hydrolysates and gelatin-derived biofertilizer capsules were incorporated into polymer–hydrogel matrices and applied onto cotton substrates to enhance soil moisture [...] Read more.

This work introduces a circular biopolymer-based strategy for valorizing keratin-rich industrial residues through the fabrication of biodegradable cotton agrotextiles functionalized with latex–hydrogel coatings. Keratin hydrolysates and gelatin-derived biofertilizer capsules were incorporated into polymer–hydrogel matrices and applied onto cotton substrates to enhance soil moisture regulation and controlled nutrient release. The composite coatings were characterized in terms of water absorption capacity, mechanical performance, biodegradation profiles, and their impact on plant growth using Phaseolus vulgaris as a model species. Hydrogel-rich formulations (LH20 and LH40Z) provided the most favorable balance of tensile strength and controlled degradation while significantly increasing soil moisture availability and overall plant biomass compared with uncoated controls. The gelatin–keratin microcapsules enabled sustained nutrient release and induced a slight increase in soil pH, further supporting plant development. These findings demonstrate the dual functionality of the developed latex–hydrogel coatings as water-management and nutrient-delivery systems and highlight the potential of keratin biowaste upcycling toward high-value, biodegradable agricultural materials aligned with circular economy principles. Full article

(This article belongs to the Special Issue Biopolymer-Based Materials: Preparation, Properties and Applications)

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25 pages, 2112 KB

Open AccessReview

Small-Molecule Modulation of the Circadian Clock in Cancer and Aging

by Ashraf N. Abdo and Moustafa Gabr

Molecules 2026, 31(9), 1543; https://doi.org/10.3390/molecules31091543 - 6 May 2026

Viewed by 1173

Abstract

Circadian rhythms are ~24 h cycles regulated by an internal molecular clock. Disruption of this timing system has been implicated in numerous diseases, including the advancement of cancers and declines in function associated with aging. In recent years, scientists have identified various small [...] Read more.

Circadian rhythms are ~24 h cycles regulated by an internal molecular clock. Disruption of this timing system has been implicated in numerous diseases, including the advancement of cancers and declines in function associated with aging. In recent years, scientists have identified various small molecules that can modulate core circadian clock proteins and pathways, providing potential therapeutic strategies to correct circadian dysfunction. This review presents a thorough overview of circadian clock mechanisms and highlights known small-molecule modulators. We describe how these compounds were discovered (through high-throughput screening and rational design) and categorize them based on their molecular targets. This review also summarizes key findings in cancer models, where clock-modulating compounds affect tumor metabolism, cell proliferation, and responsiveness to treatments, as well as in aging models, where strengthening circadian function may enhance metabolic health and longevity. Additionally, we cover clinical and preclinical studies involving these molecules and address challenges such as off-target effects and the complex nature of clock regulation. Finally, we outline future directions, emphasizing the development of new chronotherapeutics and the incorporation of circadian modulation into interventions for cancer and aging. Full article

(This article belongs to the Special Issue 30th Anniversary of Molecules—Recent Advances in Medicinal Chemistry)

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15 pages, 5026 KB

Open AccessArticle

Isoscape of Oxygen Stable Isotopes in Woods of the Amazon

by Ana Claudia Gama Batista, Maria Gabriella da Silva Araújo, Isabela Maria Souza-Silva, Deoclécio Jardim Amorim, Fabiana Cristina Fracassi Adorno, Gabriela Bielefeld Nardoto, Vladimir Eliodoro Costa, Mario Tomazello-Filho, Niro Higuchi, Perseu da Silva Aparicio, Yasmin Lara Bezerra Vieira da Silva, Marta Silvana Volpato Sccoti, Ana Carolina Barbosa, Fabio José Viana Costa, João Paulo Sena-Souza, Gabriel J. Bowen and Luiz Antonio Martinelli

Molecules 2026, 31(9), 1542; https://doi.org/10.3390/molecules31091542 - 6 May 2026

Viewed by 1140

Abstract

Stable oxygen isotopes (δ¹⁸O) in wood provide integrative records of plant water use and regional hydroclimatic processes, offering a powerful framework for spatial ecological analysis in tropical forests. Here, we present the first regional-scale δ¹⁸O isoscapes for Amazonian [...] Read more.

Stable oxygen isotopes (δ¹⁸O) in wood provide integrative records of plant water use and regional hydroclimatic processes, offering a powerful framework for spatial ecological analysis in tropical forests. Here, we present the first regional-scale δ¹⁸O isoscapes for Amazonian wood based on 387 trees sampled across 25 sites. After α-cellulose extraction, δ¹⁸O values were modeled using multiple linear regression (MLR) and Random Forest (RF) approaches. A Moran’s I test revealed no significant spatial autocorrelation (p = 0.73), indicating that geostatistical interpolation methods such as kriging were not appropriate for this dataset. The MLR model based on site-average data achieved an R² of 0.70, with a mean absolute error (MAE) of 0.56‰ and root mean square error (RMSE) of 0.68‰. The RF model showed comparable performance (R² = 0.67; MAE = 0.64‰; RMSE = 0.77‰). Both approaches reproduced a coherent southeast-to-northwest gradient, with lower δ¹⁸O values in the western Amazon and higher values in the east, consistent with regional patterns in precipitation isotopic composition and evapotranspiration. These findings demonstrate that climate-driven statistical modeling effectively captures large-scale isotopic structure across the Amazon basin, providing a robust spatial representation of δ¹⁸O variability in tropical forest wood. Full article

(This article belongs to the Special Issue Stable Isotope Techniques Across Chemistry: Methods, Applications, and Perspectives)

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30 pages, 4111 KB

Open AccessArticle

A Study of 3-Substituted 7-Methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ols Leading to Candidate PET Radioligands for Imaging Brain GluN2B: Design, Synthesis, and Structure–Activity Relationships

by Lisheng Cai, Leah Noelle Millard, Sean Wallace Costner, Alyssa Wang, Yonglan Liu and Victor William Pike

Molecules 2026, 31(9), 1541; https://doi.org/10.3390/molecules31091541 - 6 May 2026

Viewed by 767

Abstract

N-Methyl-D-aspartate (NMDA) receptors are ligand- and voltage-gated ion channels essential for synaptic plasticity, learning, and memory. The GluN2B subunit, highly expressed in the forebrain and spinal cord, is implicated in multiple neurological and psychiatric disorders, making it an attractive target for positron [...] Read more.

N-Methyl-D-aspartate (NMDA) receptors are ligand- and voltage-gated ion channels essential for synaptic plasticity, learning, and memory. The GluN2B subunit, highly expressed in the forebrain and spinal cord, is implicated in multiple neurological and psychiatric disorders, making it an attractive target for positron emission tomography (PET) imaging. However, the development of selective GluN2B PET radioligands remains challenging. Here, we describe the design, synthesis, and evaluation of eighteen 3-alkylaryl derivatives of 7-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ol, including enantiomerically resolved compounds, as candidate PET radioligands. Structure–activity relationship studies show that binding affinity is largely insensitive to electronic and steric variation at the terminal aryl group but strongly dependent on alkyl linker length, with a four-carbon chain providing optimal affinity. Binding affinity does not correlate with calculated lipophilicity, suggesting hydrophobicity is not the primary determinant of receptor interaction. Absolute configuration was established using vibrational circular dichroism and infrared spectroscopy, and docking studies provided insight into enantiomer-specific binding modes. Two ligands, L3 and L6, and their enantiomers exhibited high GluN2B affinity, favorable physicochemical properties, and suitability for carbon-11 labeling. Separate PET imaging studies confirmed strong and specific brain binding of the radiolabeled compounds. These findings establish this scaffold as a promising platform for GluN2B PET ligand development. Full article

(This article belongs to the Section Medicinal Chemistry)

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19 pages, 4539 KB

Open AccessBrief Report

Characterization of the Composition and Immunoregulatory Activity of Wheat Cell Culture-Derived Polysaccharides

by Alima Murtazina, Pol Rodríguez-Martínez, Dylan J. Crawshaw, Carme Caelles, Anel Tarabayeva, Elmira Bitanova, Nadezhda Ibragimova, Polina Mikshina, Tatyana Gorshkova, Gordon J. McDougall, Houria Boulaiz, Nazira Bishimbayeva and Annabel F. Valledor

Molecules 2026, 31(9), 1540; https://doi.org/10.3390/molecules31091540 - 6 May 2026

Viewed by 892

Abstract

Plant polysaccharides can exert immunomodulatory activities. In this study we provided chemical characterization of wheat cell culture-derived polysaccharides (WCCPS) and assessed their capacity to modulate inflammatory responses in mouse macrophages. The total sample (T-010) contained arabinogalactans, arabinans, glucans and xyloglucans. Fractionation by anion-exchange [...] Read more.

Plant polysaccharides can exert immunomodulatory activities. In this study we provided chemical characterization of wheat cell culture-derived polysaccharides (WCCPS) and assessed their capacity to modulate inflammatory responses in mouse macrophages. The total sample (T-010) contained arabinogalactans, arabinans, glucans and xyloglucans. Fractionation by anion-exchange chromatography rendered a bound acidic fraction (B-010) and an unbound neutral fraction (UB-010). The B-010 fraction was enriched in arabinogalactans and arabinans, with some galactans, homogalacturonans, and arabinoxylans. The neutral UB-010 fraction was composed of glucans and xyloglucans. None of the WCCPS preparations triggered cytokine production on their own, but each potentiated different macrophage responses to bacterial lipopolysaccharide (LPS). The total WCCPS in T-010 increased LPS-induced tumor necrosis factor-alpha (TNF-α) and interleukin (IL)-6 secretion, whereas the acidic arabinogalactan-rich fraction B-010 boosted IL-6 release and selectively upregulated nitric oxide synthase 2 (Nos2) and cholesterol 25-hydroxylase (Ch25h) expression in response to LPS. In contrast, the neutral UB-010 fraction enhanced IL-6 levels and induced Nos2 expression without altering Ch25h expression. These results suggest that WCCPS can modulate distinct aspects of the inflammatory response, with their effects shaped by their composition and structural features. Future research will focus on elucidating the molecular mechanisms underlying the immunomodulatory activity of WCCPS. Full article

(This article belongs to the Special Issue Extraction, Isolation, and Identification of Bioactive Compounds from Plants)

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20 pages, 2141 KB

Open AccessArticle

Formulation of Metformin-Loaded Chitosan Nanoparticles and In Vivo Evaluation of Its Hypoglycemic Effects

by Zainab Omeed Awchee, Airemwen Collins Ovenseri, Ahmad Saleh Malkawi and Leyla Beba Pozharani

Molecules 2026, 31(9), 1539; https://doi.org/10.3390/molecules31091539 - 6 May 2026

Viewed by 1290

Abstract

This study formulated and characterized metformin-loaded chitosan nanoparticles (NPs) using the ionic gelation technique and evaluated the drug release kinetics. Characterization confirmed successful drug encapsulation, with Fourier-transform infrared spectroscopy (FTIR) indicating compatibility, and X-ray diffraction (XRD) showing attenuation of characteristic metformin reflections consistent [...] Read more.

This study formulated and characterized metformin-loaded chitosan nanoparticles (NPs) using the ionic gelation technique and evaluated the drug release kinetics. Characterization confirmed successful drug encapsulation, with Fourier-transform infrared spectroscopy (FTIR) indicating compatibility, and X-ray diffraction (XRD) showing attenuation of characteristic metformin reflections consistent with reduced crystalline contribution after encapsulation. Particle sizes ranged from 74.28 to 86.82 nm. The NPs exhibited stable zeta potentials (+42.38 to +49.06 mV) and high entrapment efficiencies (68.42–81.26%). In vitro drug release studies at pH 7.4 and pH 2.0 demonstrated an initial burst release, followed by sustained release over 24 h. The cumulative drug release ranged from 81.92% to 97.72% at pH 7.4 and 89.4% to 98.1% at pH 2.0, with a faster release at pH 2.0. Drug release kinetics followed first-order for batch MN1, while batches MN2 and MN3 best fitted into the Higuchi model, indicating diffusion-controlled release through the chitosan polymeric network. The formulated metformin nanoparticles demonstrated significant potent dose-related and time-dependent cytotoxic effect against ovarian cancer cell lines and in vivo blood glucose lowering effect compared to the conventional dosage forms and control (p < 0.05). These findings highlight the potential of metformin-loaded chitosan NPs for sustained drug delivery, which may enhance patient compliance by reducing dosing frequency. Future studies should further explore their clinical applications. Full article

(This article belongs to the Topic Advanced Nanotechnology in Drug Delivery Systems)

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1 pages, 132 KB

Open AccessRetraction

RETRACTED: Mustafa et al. Exogenous Application of Green Titanium Dioxide Nanoparticles (TiO₂ NPs) to Improve the Germination, Physiochemical, and Yield Parameters of Wheat Plants Under Salinity Stress. Molecules 2022, 27, 4884

by Nilofar Mustafa, Naveed Iqbal Raja, Noshin Ilyas, Fozia Abasi, Muhammad Sheeraz Ahmad, Maria Ehsan, Asma Mehak, Imran Badshah and Jarosław Proćków

Molecules 2026, 31(9), 1538; https://doi.org/10.3390/molecules31091538 - 6 May 2026

Cited by 1 | Viewed by 563

Abstract

The Journal retracts the article “Exogenous Application of Green Titanium Dioxide Nanoparticles (TiO₂ NPs) to Improve the Germination, Physiochemical, and Yield Parameters of Wheat Plants Under Salinity Stress” [...] Full article

13 pages, 1572 KB

Open AccessArticle

In Vitro Antiproliferative Effects of Benzothiazole-Based Aminosquaraine Dyes Against Cancer Cell Lines

by Elisabete Alves, João L. Serrano, Ahmed Al-Najada, Sara Cegonho, Vânia Graça, Eurico Lima, Alexandra Varges, Adriana O. Santos, Paulo Almeida, Paulo F. Santos and Samuel M. Silvestre

Molecules 2026, 31(9), 1537; https://doi.org/10.3390/molecules31091537 - 6 May 2026

Viewed by 699

Abstract

The introduction of amine groups into the four-membered central ring of squaraine dyes is expected to enhance the intrinsic cytotoxicity of this scaffold. In this study, the biological effects of eight benzothiazole-based aminosquaraine dyes were investigated by varying the length of the N [...] Read more.

The introduction of amine groups into the four-membered central ring of squaraine dyes is expected to enhance the intrinsic cytotoxicity of this scaffold. In this study, the biological effects of eight benzothiazole-based aminosquaraine dyes were investigated by varying the length of the N-alkyl chains and the nature of the introduced amine. Biological activity was evaluated through different assays in several cell lines, including apoptosis and cell cycle analysis, as well as confocal microscopy studies. Overall, the incorporation of amino, methylamino, and ethanolamino groups significantly increased cytotoxicity, with the corresponding dyes displaying low half-maximal inhibitory concentration values, in some cases even lower than that of the positive control, 5-fluorouracil. In contrast, derivatives bearing diethanolamino or ethylenediamino groups exhibited lower cytotoxicity, particularly the dye containing N-decyl chain. For the dyes selected for further investigation, bearing a methylamino group and N-butyl or -hexyl chains, the induction of apoptosis was evident, especially for methylaminosquaraine dye 3. These dyes also exhibited antiproliferative effects, as evidenced by their ability to induce cell cycle arrest. Confocal microscopy revealed a predominantly cytoplasmic distribution, likely associated with cytoplasmic organelles, with limited penetration into the nucleus. Overall, although squaraines are widely recognized as promising photodynamic agents, the present results suggest that they may also be explored in chemotherapeutic approaches, particularly when exhibiting high intrinsic cytotoxicity. Full article

(This article belongs to the Special Issue Design, Synthesis and Biological Evaluation of Medicinal Potential Compounds—2nd Edition)

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2 pages, 145 KB

Open AccessRetraction

RETRACTED: Melendez et al. Experimental and DFT Study of the Photoluminescent Green Emission Band of Halogenated (−F, −Cl, and −Br) Imines. Molecules 2019, 24, 3304

by Francisco J. Melendez, María Eugenia Castro, Oscar Portillo-Moreno, Guadalupe Hernández-Téllez, Gloria E. Moreno-Morales, Daniela Gutiérrez-Argüelles, Rodolfo Palomino-Merino, Efraín Rubio-Rosas and René Gutiérrez-Pérez

Molecules 2026, 31(9), 1536; https://doi.org/10.3390/molecules31091536 - 6 May 2026

Viewed by 472

Abstract

The journal retracts the article titled “Experimental and DFT Study of the Photoluminescent Green Emission Band of Halogenated (−F, −Cl, and −Br) Imines” [...] Full article

15 pages, 3574 KB

Open AccessFeature PaperArticle

Bis(phosphazenyl)phosphines: From Superbases to Superhydrides

by Mario Damjanović and Borislav Kovačević

Molecules 2026, 31(9), 1535; https://doi.org/10.3390/molecules31091535 - 5 May 2026

Viewed by 817

Abstract

By incorporating phosphazenes as substituents on phosphines and employing rigid cage-like scaffolds, pentacyclo [5.4.0.0^2,6.0^3,10.0^5.9]undecane, pentacyclo [6.4.0.0^2,7.0^3,11.0^6,10] dodecane, and seco-dodecahedradiene, we designed and computationally investigated proton-sponge-like bisphosphines that act as exceptionally strong [...] Read more.

By incorporating phosphazenes as substituents on phosphines and employing rigid cage-like scaffolds, pentacyclo [5.4.0.0^2,6.0^3,10.0^5.9]undecane, pentacyclo [6.4.0.0^2,7.0^3,11.0^6,10] dodecane, and seco-dodecahedradiene, we designed and computationally investigated proton-sponge-like bisphosphines that act as exceptionally strong hydride donors in their monoprotonated forms. These systems exhibit hydricities that significantly surpass that of the paradigmatic superhydride LiEt₃BH, one of the strongest commercially available hydride donors widely used in organic reductions. The remarkable hydride-donating ability of these systems originates from strongly electron-donating phosphazenyl substituents at phosphorus, which stabilize the dication formed upon hydride release, as well as from a stabilizing intramolecular dative P→P interaction within the bisphosphine framework. In addition, the neutral forms of the corresponding bisphosphines are shown to exhibit superbasic properties. Full article

(This article belongs to the Special Issue Quantum-Chemical Studies for Superspecies—in Celebration of Professor Jean-François Gal’s 80th Birthday)

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17 pages, 973 KB

Open AccessArticle

Phenolic Composition, Antioxidant Activity and Caffeine as Chemical Markers for Differentiating Panamanian Coffea arabica and Coffea canephora

by Mariel Monrroy, Onix Arauz and José Renán García

Molecules 2026, 31(9), 1534; https://doi.org/10.3390/molecules31091534 - 5 May 2026

Viewed by 869

Abstract

Chemical differentiation of coffee species is essential for quality control, authenticity verification, and the prevention of mislabeling in the coffee industry. This is particularly relevant in Panama, a recognized producer of specialty coffees such as Geisha, where studies on chemical characterization remain limited. [...] Read more.

Chemical differentiation of coffee species is essential for quality control, authenticity verification, and the prevention of mislabeling in the coffee industry. This is particularly relevant in Panama, a recognized producer of specialty coffees such as Geisha, where studies on chemical characterization remain limited. This study investigated the phenolic composition, antioxidant activity, and caffeine content of roasted coffee as potential chemical markers for differentiating Coffea arabica and Coffea canephora. Ultrasound-assisted hydroethanolic extraction was optimized using the response surface methodology, with temperature, ethanol concentration, and extraction time as the experimental variables. The optimized extraction parameters were established at 75 °C, 44% ethanol, and 25 min, resulting in high recovery of the total phenolic content, total flavonoid content, and antioxidant activity (ABTS and DPPH assays). Under these conditions, C. canephora samples obtained higher levels of phenolic compounds, antioxidant activity, and caffeine content than C. arabica. Pearson’s correlation analysis showed significant associations among phenolic compounds, caffeine content, and antioxidant activity. PCA explained 90.5% of the total variance and clearly discriminated between the two species, mainly based on differences in caffeine content and antioxidant activity. HCA confirmed this classification and revealed subgroups within C. arabica, particularly among the Geisha varieties. PLS-DA achieved complete separation between species, with zero classification error under cross-validation. These results indicated that combined chemical and multivariate approaches can be used to differentiate and assess the authenticity of coffee, particularly in underexplored production regions such as Panama. Full article

(This article belongs to the Special Issue Recent Advances in Food Analysis, 2nd Edition)

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23 pages, 4447 KB

Open AccessReview

Bibliometric Analysis and Thematic Evolution of Advanced Oxidation Processes for Persistent Organic Pollutant Degradation (2000–2026)

by Segundo Jonathan Rojas-Flores, Rafael Liza, Félix Díaz, Daniel Delfin-Narciso, Moisés Gallozzo Cardenas and Renny Nazario-Naveda

Molecules 2026, 31(9), 1533; https://doi.org/10.3390/molecules31091533 - 5 May 2026

Cited by 1 | Viewed by 940

Abstract

Pollution by persistent organic pollutants (POPs) constitutes an environmental and public health crisis of planetary scale due to their toxicity, persistence, and capacity for bioaccumulation in ecosystems. Given the limitations of conventional methods, which are often costly or generate hazardous byproducts, advanced oxidation [...] Read more.

Pollution by persistent organic pollutants (POPs) constitutes an environmental and public health crisis of planetary scale due to their toxicity, persistence, and capacity for bioaccumulation in ecosystems. Given the limitations of conventional methods, which are often costly or generate hazardous byproducts, advanced oxidation processes (AOPs) have emerged as critical alternatives for the terminal destruction of these compounds. However, a persistent gap remains between laboratory-scale innovations and their real industrial application. To address this issue, the study employs a systematic and quantitative bibliometric analysis of the scientific literature produced between 2000 and 2026. A total of 5911 documents indexed in Scopus were analyzed using specialized tools such as R Studio (bibliometrix) 2026.04.0+526 and VOSviewer (1.6.20) to map productivity, impact, and the intellectual structure of the field through co-occurrence networks and international collaboration. The results demonstrate exponential growth in research, with an annual rate exceeding 18%. China leads scientific production with 109 publications, while Spain and France record the highest impact per article, with averages of 217.5 and 213.5 citations respectively, underscoring the influence of their researchers as theoretical and methodological benchmarks. Authors such as Malato (Spain) and Oturan (France) act as central nodes of international collaboration, accumulating thousands of citations in areas such as solar photocatalysis and electro-Fenton processes. The analysis confirms that solar photocatalysis and electrochemical processes are the most effective AOP families, consistently reporting degradation efficiencies above 85–90%. Wastewater treatment is identified as the primary research driver, while advanced catalyst design has evolved into a niche technical specialization. Journals such as Chemosphere and Science of the Total Environment have consolidated as the main dissemination channels for this research. Full article

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16 pages, 1379 KB

Open AccessArticle

Fate of Benzalkonium Chloride in Nanofiltration and Reverse Osmosis: Mechanisms of Retention and Membrane Response

by Aleksandra Klimonda, Gabriela Kamińska, Izabela Kowalska and Krzysztof Barbusiński

Molecules 2026, 31(9), 1532; https://doi.org/10.3390/molecules31091532 - 5 May 2026

Cited by 1 | Viewed by 692

Abstract

Cationic surfactants from quaternary ammonium compounds (QACs) are increasingly recognized as relevant micropollutants particularly following their widespread use during and after the COVID-19 pandemic. The new EU Urban Wastewater Treatment Directive (2024/3019) highlights micropollutant removal as a regulatory priority, mandating advanced treatment for [...] Read more.

Cationic surfactants from quaternary ammonium compounds (QACs) are increasingly recognized as relevant micropollutants particularly following their widespread use during and after the COVID-19 pandemic. The new EU Urban Wastewater Treatment Directive (2024/3019) highlights micropollutant removal as a regulatory priority, mandating advanced treatment for their elimination. In this context, this study examined benzalkonium chloride (BAC) retention and membrane response during nanofiltration (NF) and reverse osmosis (RO), across concentrations ranging from monomeric to micellar. RO membranes achieved >97% rejection, whereas NF showed 65–96% removal strongly affected by micelle formation. Flux decline was most pronounced in RO, with relative permeability (J/J₀) decreasing to ~0.12 at 1.0 CMC, while NF membranes exhibited better hydraulic stability. Membrane active layer zeta potential measurements confirmed adsorption and charge neutralization, with shifts toward less negative values after BAC exposure. Hermia model analysis revealed that fouling was governed by cake layer formation or pore blocking, depending on membrane type and feed concentration. Full article

(This article belongs to the Special Issue Detection, Toxicity assessment, Removal, and Transformation Pathways of Contaminant Including Recovery of Valuable Substrates)

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22 pages, 3778 KB

Open AccessArticle

Polyphenol Diversity and Chemotype Variation in Origanum majorana and Related Species: Implications for Chemotaxonomic Differentiation, Standardisation and Genotype Selection

by Brigitte Lukas, Johannes Novak, Magdalena Neumüller, Jennifer Romana Valek, Salme Ahmed, Zehra Aytaç and Ahmet Gümüşçü

Molecules 2026, 31(9), 1531; https://doi.org/10.3390/molecules31091531 - 5 May 2026

Cited by 1 | Viewed by 1419

Abstract

This study presents a multivariate assessment of the qualitative and quantitative composition of polyphenolic compounds across six Origanum species, including wild and commercial O. majorana, the three other species of section Majorana (O. dubium, O. syriacum and O. onites), [...] Read more.

This study presents a multivariate assessment of the qualitative and quantitative composition of polyphenolic compounds across six Origanum species, including wild and commercial O. majorana, the three other species of section Majorana (O. dubium, O. syriacum and O. onites), and the more distantly related O. minutiflorum and O. vulgare. Methanolic extracts from 657 plants representing 59 populations were analysed by HPLC. A total of 122 constituents were consistently detected, 20 major peaks were selected for detailed evaluation, and eight key constituents were quantified using external standards. Wild O. majorana was characterised by high proportions of arbutin, apigenin 6,8-di-glucopyranoside, luteolin 7-glucuronide, apigenin 7-glucuronide, rosmarinic acid, salvianolic acid B, blumeatin, and two additional flavonoid-like constituents requiring further structural elucidation. Principal component analysis separated wild and commercial O. majorana and distinguished O. majorana, the three overlapping clusters of O. onites, O. dubium and O. syriacum, as well as O. minutiflorum and O. vulgare, reflecting marked interspecific differences in dominant compound classes. Origanum majorana and O. vulgare were richer in phenolic acids, whereas O. dubium, O. syriacum, and O. onites contained higher levels of flavonoid glycosides. Several genotypes accumulated exceptionally high concentrations of arbutin, apigenin 6,8-di-glucopyranoside, rosmarinic acid, or salvianolic acid B. These results establish a robust chemotaxonomic framework for distinguishing Origanum species and pinpoint high polyphenol genotypes as candidates for breeding, quality standardisation, and targeted follow-up studies on antioxidant and other bioactivities. Full article

(This article belongs to the Special Issue Phytochemical Investigation of Bioactive Constituents from Medicinal Plants)

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23 pages, 1883 KB

Open AccessArticle

Proof of Concept for a Controlled Raman-Compatible Skin-Mimicking Hydrogel Substrate for Chemical Imaging Technique Development

by Kevser Kemik, Charlotte De Bleye, Pierre-Yves Sacré, Philippe Hubert and Eric Ziemons

Molecules 2026, 31(9), 1530; https://doi.org/10.3390/molecules31091530 - 5 May 2026

Viewed by 808

Abstract

The quality of Surface-Enhanced Raman Chemical Imaging (SER-CI) rely on several parameters, among which the uniform deposition of metallic nanoparticles impacts greatly the result. Optimizing deposition protocols for biological samples is challenging due to inherent spatial heterogeneity, preventing the distinction between deposition artefacts [...] Read more.

The quality of Surface-Enhanced Raman Chemical Imaging (SER-CI) rely on several parameters, among which the uniform deposition of metallic nanoparticles impacts greatly the result. Optimizing deposition protocols for biological samples is challenging due to inherent spatial heterogeneity, preventing the distinction between deposition artefacts and true analyte distribution. However, to optimize the deposition parameters, it is necessary to have a controlled experimental model. This study presents the development of a repeatable dried gelatine–agarose hydrogel as a controlled analytical substrate with the uniform spatial homogeneity of diphenhydramine hydrochloride as the experimental model for further nanoparticle deposition optimization. With its skin-mimicking Raman fingerprint, the proposed hydrogel enables the systematic evaluation of deposition techniques without biological variability. Confocal Raman imaging performances are as follows: the normalization-based ratio (I₁₀₀₃/I₁₄₆₉) achieved an intra-day RSD of 3.6–8.2%, inter-day RSD of 6.5%, and intra-day pixel-wise RSD (%) of 8.3–12.3%. The Distribution Homogeneity Index (DHI) confirmed the analyte’s uniform distribution. Drying kinetics modelling revealed a diffusion-based dehydration process, with repeatable batch production. Application of dried hydrogels for SERS chemical imaging confirmed diphenhydramine hydrochloride detectability inside the polymeric matrix, with the proportionality of intensity based on the diphenhydramine hydrochloride concentration. A preliminary performance comparison of nanoparticle deposition by drop-casting and spray-coating demonstrates the applicability of the developed model. This standardized matrix provides a reference platform for evaluating deposition homogeneity, distinguishing method performance from sample artefacts and accelerating chemical imaging method development and performance through optimization. Full article

(This article belongs to the Special Issue Vibrational Spectroscopy and Imaging for Chemical Application)

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18 pages, 1871 KB

Open AccessArticle

Valorization of Food By-Products into a Zero-Waste Broth: Effects of Yeast Extract on Composition and Sensory Properties

by Anna Otlewska, Katarzyna Dybka-Stępień, Katarzyna Rajkowska, Anna Koziróg, Agnieszka Nowak, Małgorzata Piotrowska, Aleksandra Czerbniak-Włodarczyk, Agata Czyżowska, Joanna Grzelczyk and Anna Kołczyk

Molecules 2026, 31(9), 1529; https://doi.org/10.3390/molecules31091529 - 5 May 2026

Viewed by 798

Abstract

Food losses and waste occur throughout the food production chain, creating an urgent need for their recovery and valorization into sustainable food products. Sensory acceptance is crucial for consumer interest and market success and can be enhanced using yeast extract. However, strategies that [...] Read more.

Food losses and waste occur throughout the food production chain, creating an urgent need for their recovery and valorization into sustainable food products. Sensory acceptance is crucial for consumer interest and market success and can be enhanced using yeast extract. However, strategies that simultaneously valorize meat and vegetable by-products into nutritionally and functionally enriched products while ensuring sensory acceptability have been scarcely investigated. This study examined whether poultry carcasses after mechanical meat separation, combined with root vegetable processing residues, could be converted into a zero-waste broth with enhanced nutritional and bioactive-related properties. The developed broth was obtained by cooking for 3 h at 122 °C under 0.2 MPa, with 2% (v/v) yeast extract added to improve umami taste. The broth was analyzed for amino acids, protein and nucleoside content, turbidity, vitamins A, K, and B-group, and antioxidant activity. The yeast-extract-enriched broth showed high levels of these vitamins, supporting EU-compliant nutrition and health claims, and demonstrated strong antioxidant activity as measured by in vitro assays. Preliminary sensory testing indicated high acceptability of the broth, likely due to the addition of yeast extract. Overall, the study demonstrates that meat and vegetable by-products can be effectively valorized into a nutritionally enriched and compositionally promising product. Full article

(This article belongs to the Special Issue Chemical Composition and Functional Properties of Food By-Products)

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20 pages, 7018 KB

Open AccessArticle

Synthesis, Structure, and Antitumor Activity of Heterocyclic 2-[4-(Dimethylamino)benzyl]-3-oxoisoindoline-4-carboxylates

by Gulim K. Mukusheva, Roza I. Jalmakhanbetova, Zharkyn Zh. Zhumagaliyeva, Gulzhaukhar A. Toktarbay, Irina A. Kolesnik, Ekaterina A. Akishina, Evgenij A. Dikusar, Vladimir I. Potkin, Aliaksandr L. Pushkarchuk, Tatiana I. Terpinskaya, Fedor I. Zubkov, Mikhail S. Grigoriev and Hongwei Zhou

Molecules 2026, 31(9), 1528; https://doi.org/10.3390/molecules31091528 - 5 May 2026

Viewed by 812

Abstract

In this study, the synthesis of a series of alkaloid analogs—isoxazole and isothiazole esters of 2-substituted 3-oxoindoline-4-carboxylic acid was performed. The target derivatives were obtained by the carbodiimide method. It was established that the studied esters have low cytotoxicity and are able to [...] Read more.

In this study, the synthesis of a series of alkaloid analogs—isoxazole and isothiazole esters of 2-substituted 3-oxoindoline-4-carboxylic acid was performed. The target derivatives were obtained by the carbodiimide method. It was established that the studied esters have low cytotoxicity and are able to enhance the effect of the anticancer drug carboplatin, taken in low doses (0.5–5 μM), by up to 30%. Quantum chemical modeling of the obtained compounds and their conjugates with carboplatin was carried out to analyze the relationship between various calculated parameters and the observed biological effects. Full article

(This article belongs to the Section Medicinal Chemistry)

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25 pages, 2280 KB

Open AccessArticle

Evaluation of Phytochemical Constituents, Antioxidant Potential, and Toxicological Profile of Selected Medicinal Plants from Romania’s Spontaneous Flora

by Lidia-Ioana Virchea, Cecilia Georgescu, Adina Frum, Endre Máthé, Monica Mironescu, Bence Pecsenye, Robert Nagy, Oana Viorica Danci, Maria-Lucia Mureșan, Maria Totan and Felicia-Gabriela Gligor

Molecules 2026, 31(9), 1527; https://doi.org/10.3390/molecules31091527 - 4 May 2026

Cited by 2 | Viewed by 1167

Abstract

The aim of this study was to analyze the composition and dual beneficial and toxic effects of Achillea millefolium L., Mentha longifolia L., and Thymus serpyllum L. extracts. The phenolic profile, total phenolic content (TPC), antioxidant activity, and drosopterin eye content (DEC) were [...] Read more.

The aim of this study was to analyze the composition and dual beneficial and toxic effects of Achillea millefolium L., Mentha longifolia L., and Thymus serpyllum L. extracts. The phenolic profile, total phenolic content (TPC), antioxidant activity, and drosopterin eye content (DEC) were determined by modern methods. The viability and developmental time of D. melanogaster were assessed by a diet-dependent viability test. The results show that the phenolic profile varied depending on the extract type and plant species. The TPC ranged between 5.32 and 29.32 mg GAE/g dry weight. All the plant extracts exert antioxidant effect in the applied in vitro tests. In the case of D. melanogaster fed with a normal diet supplement with different concentrations of the plant A. millefolium L. extract, a biphasic effect was observed. A more complex effect was recorded for the M. longifolia L. and T. serpyllum L. extracts. On a high-sugar diet, all the extracts were toxic. All the plant extracts in tested concentrations influenced the DEC, suggesting an impact on gene expression. This study contributes to the expanding knowledge about the beneficial and toxic effects of local medicinal plants, suggesting the need for future studies to elucidate the appropriate use of natural products in therapy. Full article

(This article belongs to the Special Issue Bioactive Properties and Chemical Composition of Wild Edible Species, 2nd Edition)

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18 pages, 708 KB

Open AccessSystematic Review

Meta-Analysis of Bioaccessibility of Hydrophobic Compounds in Buttermilk Matrices: A Systematic Review and Quantitative Synthesis

by Assem Sagandyk, Tamara Tultabayeva, Gulmira Zhakupova, Kadyrzhan Makangali, Aknur Muldasheva, Aruzhan Shoman and Kalamkas Dairova

Molecules 2026, 31(9), 1526; https://doi.org/10.3390/molecules31091526 - 4 May 2026

Viewed by 583

Abstract

Hydrophobic bioactive compounds, such as curcuminoids, β-carotene and long-chain lipids, as well as amphiphilic structural lipids (milk fat globule membrane (MFGM)-associated phospholipids), often exhibit low bioaccessibility due to poor aqueous solubility and/or susceptibility to degradation, which limits their effective use in functional foods. [...] Read more.

Hydrophobic bioactive compounds, such as curcuminoids, β-carotene and long-chain lipids, as well as amphiphilic structural lipids (milk fat globule membrane (MFGM)-associated phospholipids), often exhibit low bioaccessibility due to poor aqueous solubility and/or susceptibility to degradation, which limits their effective use in functional foods. Buttermilk, a dairy byproduct enriched with proteins, lipids and MFGM components, provides a structurally complex, amphiphilic matrix that can enhance micellar solubilization, protect hydrophobic and amphiphilic compounds during digestion and thereby modulate their potential bioavailability. This systematic review and meta-analysis, conducted and reported in accordance with the PRISMA 2020 guidelines, synthesizes quantitative data from in vitro gastrointestinal digestion studies to evaluate the impact of buttermilk and related matrices (e.g., buttermilk yogurt, ultrafiltered buttermilk, and composite nanosystems) on the bioaccessibility of hydrophobic compounds and MFGM phospholipids compared with aqueous or non-buttermilk controls. We identified a limited but growing body of in vitro evidence indicating that buttermilk-based matrices generally increase the intestinal bioaccessibility of curcuminoids, β-carotene, omega-3 fatty acids, vitamin and MFGM phospholipids relative to non-buttermilk systems, with particularly pronounced effects in structured emulsions, yogurts, ultrafiltered buttermilk and MFGM-enriched nanosystems. Rather than a single effect size, the data point to a compound- and matrix-dependent spectrum of improvements, influenced by both the chemical nature of the bioactive and the supramolecular organization of the dairy matrix. Mechanistically, the available findings support a plausible hypothesis that buttermilk enhances bioaccessibility via MFGM-mediated micellar solubilization, interfacial protection against pH- and enzyme-driven degradation and favorable lipid partitioning, although these pathways remain to be confirmed in dedicated mechanistic and in vivo studies. Methodological heterogeneity and the exclusive reliance on in vitro models are important limitations, but overall, the synthesis supports buttermilk and MFGM-rich ingredients as sustainable, food-grade carriers for lipophilic nutraceuticals and highlights the importance of dairy matrix structure in the design of functional delivery systems. Full article

(This article belongs to the Section Food Chemistry)

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16 pages, 1597 KB

Open AccessArticle

Photoinduced Inactivation of Pathogenic Microorganisms via Cotton Textile Functionalized with a Novel Iodinated BODIPY Derivative

by Awad I. Said, Desislava Staneva, William M. Piedra, Françisco M. Raymo and Ivo Grabchev

Molecules 2026, 31(9), 1525; https://doi.org/10.3390/molecules31091525 - 4 May 2026

Viewed by 845

Abstract

Antimicrobial resistance (AMR) is emerging as one of the most serious global health problems, necessitating the urgent development of alternative approaches to pathogen control. The present study describes the synthesis and characterization of a novel iodinated BODIPY derivative (BODIPY5), designed as a highly [...] Read more.

Antimicrobial resistance (AMR) is emerging as one of the most serious global health problems, necessitating the urgent development of alternative approaches to pathogen control. The present study describes the synthesis and characterization of a novel iodinated BODIPY derivative (BODIPY5), designed as a highly efficient photosensitizer for antimicrobial photodynamic inactivation (aPDI). The molecular design of the compound involves the introduction of two iodine atoms into the BODIPY5 core, which induces a “heavy atom effect”, accelerates the intersystem transition from the singlet to the triplet state, and leads to increased generation of singlet oxygen upon irradiation with visible light. Photophysical measurements show a significant fluorescence quenching of BODIPY5 compared to its unsubstituted counterpart, which is a direct indicator of increased photodynamic activity. The compound’s antimicrobial efficacy was tested in a homogeneous medium and after immobilization on cotton textiles via physical adsorption. In solution, BODIPY5 nearly eliminated the model bacterial strains B. cereus and P. aeruginosa at a low concentration of 10 µg/mL under light, with cell viability below 1%. The functionalized cotton fabric exhibits pronounced self-disinfection properties, retaining high photodynamic activity against the Gram-negative pathogen P. aeruginosa. Scanning electron microscopy results confirm extensive morphological damage and loss of structural integrity in bacterial cells on the treated textile following irradiation. The non-specific mechanism of action, which generates reactive oxygen species (¹O₂) in situ, prevents the development of bacterial resistance and makes the developed material a promising candidate for use in hospital environments, including antibacterial clothing and protective equipment. Full article

(This article belongs to the Section Colorants)

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32 pages, 1555 KB

Open AccessArticle

Exploring the Antioxidant, Anti-Inflammatory and Skin-Enzyme Inhibitory Activities of Balkan Ethnomedicinal Herbs Through In Vitro and In Vivo Screening

by Zoi Kardasi, Evanthia Dina, Zora Dajić-Stevanović, Dimitris Ourailoglou, Nektarios Aligiannis and Angeliki P. Kourounakis

Molecules 2026, 31(9), 1524; https://doi.org/10.3390/molecules31091524 - 4 May 2026

Viewed by 645

Abstract

This study aims to evaluate the antioxidant and anti-inflammatory potential of dichloromethanic, methanolic and hydroalcoholic extracts of seventeen different selected Balkan medicinal herbs with ethnopharmacological interest, with the goal of identifying the most bioactive candidates for further investigation of their therapeutic efficacy in [...] Read more.

This study aims to evaluate the antioxidant and anti-inflammatory potential of dichloromethanic, methanolic and hydroalcoholic extracts of seventeen different selected Balkan medicinal herbs with ethnopharmacological interest, with the goal of identifying the most bioactive candidates for further investigation of their therapeutic efficacy in human diseases. A total of fifty-four extracts were initially screened; due to the high sample number, only the most active samples were advanced to subsequent assays in order to identify bioactive candidates with potential therapeutic efficacy in human diseases. The methanolic extract of Cotinus coggygria showed the highest radical scavenging activity (DPPH: 96.4% inhibition), the hydroalcoholic extract of Hypericum empetrifolium exhibited the most potent iron chelation (IC₅₀: 5.0 μg/mL) and the methanolic extract of Sedum sediforme presented the best anti-inflammatory activity in in vitro assays (LOX IC₅₀: 39.4 μg/mL, COX-1 inhibition: 93.1% and COX-2 inhibition: 94.0%). Furthermore, significant inhibition of tyrosinase and collagenase was observed for the methanolic extract of Cistus creticus (94.2% tyrosinase inhibition, 86.8% collagenase inhibition) and the methanolic extract of Cotinus coggygria (83.1% tyrosinase inhibition, 96.1% collagenase inhibition). In vivo, five promising plant extracts were selected and evaluated for their anti-inflammatory activity using a carrageenan-induced paw edema model in female C57BL/6 mice. The study aimed to assess the in vivo anti-inflammatory potential of these extracts under acute inflammatory conditions. The methanolic extract of Cotinus coggygria proved the most active, significantly reducing paw edema by 34% compared to the non-treated control, indicating a pronounced anti-inflammatory effect and supporting its potential as a source of bioactive compounds with therapeutic relevance. The results of this study indicate that several selected herbal extracts exhibit notable pharmacological activities. Given their antioxidant, anti-inflammatory, and inhibitory properties against enzymes related to skin function, these extracts warrant further in vivo and (pre)clinical investigation for potential use in cosmetic and pharmaceutical products targeting skin disorders associated with inflammation and oxidative stress. Full article

(This article belongs to the Section Natural Products Chemistry)

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21 pages, 2913 KB

Open AccessArticle

Anthocyanin Encapsulation as a Potential Approach for Improving the Quality of Aronia Powder

by Senka Vidović, Milica Ramić Vasiljević, Rita Ambrus, Nataša Nastić, Nada Ćujić Nikolić, Teodora Janković and Aleksandra Gavarić

Molecules 2026, 31(9), 1523; https://doi.org/10.3390/molecules31091523 - 4 May 2026

Cited by 1 | Viewed by 712

Abstract

Aronia fruit dust, generated in the industrial environment during processing, is considered a by-product discharged as waste, but it still contains high amounts of bioactive compounds such as polyphenolics, particularly anthocyanins. For the efficient isolation of anthocyanins and other flavonoids from this type [...] Read more.

Aronia fruit dust, generated in the industrial environment during processing, is considered a by-product discharged as waste, but it still contains high amounts of bioactive compounds such as polyphenolics, particularly anthocyanins. For the efficient isolation of anthocyanins and other flavonoids from this type of material, ultrasound-assisted extraction, at previously established optimal conditions, with a temperature of 70 °C, extraction time of 80 min, and ultrasonic power of 206 W, was applied. The extraction solvent was acidified with organic acids (citric, malic, and ascorbic acids) at low concentrations (4% and 8%) prior to spray drying to investigate the effects of the liquid feed pH value on the quality of the obtained aronia powders. Three anthocyanins—cyanidin-3-O-galactoside, cyanidin-3-O-arabinoside, and cyanidin-3-O-glucoside—along with the flavonoids rutin, hyperoside, and isoquercitrin were identified. The use of malic and citric acids in combination with maltodextrin produced aronia powders with a higher bulk density, smaller particle size, and more uniform particle size distribution compared to formulations containing ascorbic acid. Full article

(This article belongs to the Special Issue Exploring the Antioxidant Activity of Natural Extracts: New Findings and Potential Food- and Non-Food-Related Applications)

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14 pages, 1665 KB

Open AccessArticle

Development and Verification of a Suspension-Based TXRF Method for Chromium Determination in Feed and Fecal Samples Containing Chromic Oxide as an External Digestibility Marker

by Christina Tzvetkova, Lidia Ivanova, Albena Detcheva, Antonina Kovacheva, Miroslav Simeonov and Irina Karadjova

Molecules 2026, 31(9), 1522; https://doi.org/10.3390/molecules31091522 - 3 May 2026

Cited by 1 | Viewed by 706

Abstract

In the present study, a rapid method based on total reflection X-ray fluorescence (TXRF) was developed to determine chromium in feed and fecal samples, containing chromic oxide. The method uses suspension sample preparation with gallium as an internal standard and does not require [...] Read more.

In the present study, a rapid method based on total reflection X-ray fluorescence (TXRF) was developed to determine chromium in feed and fecal samples, containing chromic oxide. The method uses suspension sample preparation with gallium as an internal standard and does not require chemical reagents or complete sample digestion. Key parameters affecting performance, such as particle size, sample concentration, and acquisition time, were optimized to ensure stable signals and reliable quantification. The method showed a limit of quantification of 24 µg g⁻¹ for Cr₂O₃ and good precision (relative standard deviations of 3–7% for both feed and fecal samples), at Cr₂O₃ concentrations in the range of 20–50 mg kg⁻¹. These performance characteristics meets the requirements for digestibility studies. It requires only small sample quantities with minimal preparation. The developed method is suitable for routine analysis, particularly in studies generating large numbers of samples. The accuracy of the method was confirmed through agreement with results obtained using an independent method based on inductively coupled plasma optical emission spectrometry (ICP-OES) after acid digestion. The scatter plot analysis of the results obtained by both methods showed a linear regression line with a slope of 0.978 and a correlation coefficient (R²) of 0.9559, indicating good agreement. The p-value from the paired t-test performed was greater than 0.05, suggesting that the observed differences between paired measurements are not statistically significant at the 95% confidence level. The Bland–Altman analysis demonstrated negligible systematic deviation between the two methods. Full article

(This article belongs to the Special Issue Solid Sampling and Analysis)

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30 pages, 7065 KB

Open AccessReview

A Comprehensive Review of Zero-Dimensional Carbon-Based Nanomaterials in Anti-Corrosive Coating Applications: A Combined Quantitative and Qualitative Analysis

by Xiaochuan Liu, Gaofei Kong, Shengbin Li, Bo Zhou, Chuang He, Haijie He and Shuang E

Molecules 2026, 31(9), 1521; https://doi.org/10.3390/molecules31091521 - 3 May 2026

Cited by 2 | Viewed by 996

Abstract

Anti-corrosive coatings are among the most widely used methods for corrosion protection. Zero-dimensional (0D) carbon nanomaterials have attracted increasing attention due to their advantages, such as small size, high specific surface area, ease of surface functionalization, and strong interfacial regulation capability, which enable [...] Read more.

Anti-corrosive coatings are among the most widely used methods for corrosion protection. Zero-dimensional (0D) carbon nanomaterials have attracted increasing attention due to their advantages, such as small size, high specific surface area, ease of surface functionalization, and strong interfacial regulation capability, which enable enhanced barrier properties, densification, and multifunctional protection of coatings. However, existing reviews have largely focused on the application of 2D carbon nanomaterials in anti-corrosive coatings, with a lack of systematic summaries on 0D carbon nanomaterials, particularly comprehensive reviews that combine quantitative bibliometric analysis with qualitative content analysis. To address this gap, this review employs a combined approach of bibliometric analysis and content analysis to systematically summarize the research progress of three typical types of 0D carbon nanomaterials, including nanodiamonds, fullerenes, and carbon dots, in the field of corrosion protective coatings. The quantitative analysis is conducted using CiteSpace 6.4 R.2 to reveal publication trends, research hotspots, and frontier evolution in this field, while the qualitative analysis selects representative studies to summarize application systems, performance characteristics, and underlying mechanisms. On this basis, the key challenges currently faced are identified, and future research directions are proposed. This review provides a systematic reference for the material design, mechanistic understanding, and engineering application of 0D carbon nanomaterial-based anti-corrosive coatings. Full article

(This article belongs to the Special Issue Advanced Materials and Surface Engineering for Sustainable Functional Coatings)

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