Molecules

20 pages, 8941 KB

Open AccessArticle

Electrospun Fibrous Architectures for Localized Delivery of Photosensitizers in Cancer Therapy

by Cátia V. Gomes, Sofia M. Costa, João S. Oliveira, Ricardo C. Calhelha, Leandro M. O. Lourenço, Raul Fangueiro and Diana P. Ferreira

Molecules 2026, 31(5), 842; https://doi.org/10.3390/molecules31050842 (registering DOI) - 3 Mar 2026

Abstract

Photodynamic therapy (PDT) is a promising localized strategy for the treatment of cervical cancer, ranking as the fourth most common cancer among women worldwide. The integration of photosensitizers (PSs) in localized drug delivery systems (DDSs), particularly in electrospun nanofibers, holds tremendous potential to [...] Read more.

Photodynamic therapy (PDT) is a promising localized strategy for the treatment of cervical cancer, ranking as the fourth most common cancer among women worldwide. The integration of photosensitizers (PSs) in localized drug delivery systems (DDSs), particularly in electrospun nanofibers, holds tremendous potential to overcome the drawbacks of their systemic administration. Exploring multilayer fibrous architectures provides a versatile therapeutic platform to design the next generation of localized DDS. In this work, localized implants for cancer treatment using PDT were developed using polyhydroxyalkanoate (PHA), chitosan (CS) and polyethylene oxide (PEO) as biopolymers and a porphyrin (Por) as PS, following two approaches: blended PHA/Por electrospun microfibers and multilayered membranes (PHA–Por/CS/PEO) produced by sequential electrospinning. The synthesized Por displayed higher cytotoxicity in light compared to dark against tumor cells. All the developed membranes were characterized regarding their morphology, wettability, absorption and fluorescence properties. PHA–Por membranes exhibited overall uniform fibrous morphologies with successful Por incorporation. Nonetheless, they presented a highly hydrophobic surface, compromising the Por release and cell–material interactions. In contrast, multilayer PHA–Por/CS/PEO membranes demonstrated enhanced hydrophilicity and enabled sustained Por release. Upon light irradiation, these membranes induced a significantly greater inhibition of HeLa cell proliferation (29.61%) compared to dark conditions (6.21%), confirming their photodynamic activity. Full article

(This article belongs to the Special Issue Biopolymers for Drug Delivery Systems)

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15 pages, 3218 KB

Open AccessReview

The Effect of Alkyl Chain Length on Biofunction of Dietary Lipid

by Wen-Hui Sun, Sha Liu, Wen Dai, Chin-Ping Tan and Yong-Jiang Xu

Molecules 2026, 31(5), 841; https://doi.org/10.3390/molecules31050841 (registering DOI) - 3 Mar 2026

Abstract

Dietary lipids not only enhance the flavor and nutritional value of food, but more importantly, they offer essential fatty acids and energy for metabolism. The importance of lipid unsaturation has gained increasing attention; however, the impact of the alky chain length on biofunction [...] Read more.

Dietary lipids not only enhance the flavor and nutritional value of food, but more importantly, they offer essential fatty acids and energy for metabolism. The importance of lipid unsaturation has gained increasing attention; however, the impact of the alky chain length on biofunction of dietary lipids remains unclear. This article discusses the effects of the alkyl chain length on the biological function of lipids, focusing on physical and chemical properties, digestion and absorption, and nutritional functions. Firstly, with the increase in the chain length, the melting point of the crystal increases, the symmetry increases, and the hypersensitivity induction decreases. Secondly, the alkyl chain length affects the contact between lipid droplets and lipase, as well as the fatty acids release rate. Finally, medium-chain and short-chain lipids can partially reverse the effect of long-chain lipids. Understanding the effect of the alkyl chain length on the biofunction of dietary lipids can provide valuable insights for designing nutritious diet. Full article

(This article belongs to the Special Issue Molecular Insights into Functional Lipids in Food Chemistry)

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21 pages, 1659 KB

Open AccessArticle

Organ-Specific LC–MS/MS Phenolic Profiling and Multifunctional Antioxidant and Enzyme Inhibitory Activities of Onosma sintenisii

by Zeyneb Karakus and Cengiz Sarikurkcu

Molecules 2026, 31(5), 840; https://doi.org/10.3390/molecules31050840 (registering DOI) - 3 Mar 2026

Abstract

Onosma sintenisii Hausskn. ex Bornm. is an endemic species of Türkiye whose phytochemical composition and biological activities remain insufficiently characterized at the organ level. The present study aimed to investigate organ-specific phenolic profiles and associated antioxidant and enzyme inhibitory activities of O. sintenisii [...] Read more.

Onosma sintenisii Hausskn. ex Bornm. is an endemic species of Türkiye whose phytochemical composition and biological activities remain insufficiently characterized at the organ level. The present study aimed to investigate organ-specific phenolic profiles and associated antioxidant and enzyme inhibitory activities of O. sintenisii. Ultrasonic-assisted methanolic extracts obtained from flowers, leaves, stems, and roots were analyzed using validated LC–ESI–MS/MS, and their biological potential was evaluated through multiple in vitro antioxidant assays (DPPH, ABTS, CUPRAC, FRAP, phosphomolybdenum, and metal chelation) as well as enzyme inhibition tests against acetylcholinesterase, butyrylcholinesterase, tyrosinase, α-amylase, and α-glucosidase. The results revealed pronounced organ-dependent variation in both phenolic composition and bioactivity. Rosmarinic acid was identified as the major phenolic compound in all organs, with the highest concentration detected in root extracts, which also exhibited the strongest antioxidant capacity and the most potent α-glucosidase inhibition. Flavonoid glycosides were predominantly accumulated in aerial parts. Correlation analysis demonstrated that hydroxycinnamic acids, particularly rosmarinic acid, are the main contributors to antioxidant and enzyme inhibitory effects. These findings indicate that O. sintenisii, especially its roots, represents a promising natural source of multifunctional phenolic compounds with potential pharmaceutical and nutraceutical applications. Full article

(This article belongs to the Special Issue Bioactive Compounds and Antioxidant Activity of Extracts from Natural Plants, 2nd Edition)

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3 pages, 145 KB

Open AccessCorrection

Correction: Wu et al. Current Status and Future Trends in Removal, Control, and Mitigation of Algae Food Safety Risks for Human Consumption. Molecules 2022, 27, 6633

by Guowei Wu, Dingling Zhuang, Kit Wayne Chew, Tau Chuan Ling, Kuan Shiong Khoo, Dong Van Quyen, Shuying Feng and Pau Loke Show

Molecules 2026, 31(5), 839; https://doi.org/10.3390/molecules31050839 (registering DOI) - 3 Mar 2026

Abstract

Removal of References [58,63,108] [...] Full article

(This article belongs to the Special Issue Extraction and Analysis of Natural Products in Food—4th Edition)

22 pages, 4065 KB

Open AccessArticle

Effects of Typical Underground Coal Mine Environmental Factors on CO Oxidation Performance of Sn-Containing Catalyst

by Tianyu Xin, Bing Liang, Jiaxu Jin, Gang Bai, Junguang Wang, Qiang Liu, Yashengnan Sun and Xihua Zhou

Molecules 2026, 31(5), 838; https://doi.org/10.3390/molecules31050838 (registering DOI) - 2 Mar 2026

Abstract

One of the primary causes of casualties as a result of underground coal mine disasters is the generation of high concentrations of carbon monoxide (CO). In this study, a copper (Cu)–manganese (Mn)–tin (Sn) composite oxide catalyst was prepared using the co-precipitation method, and [...] Read more.

One of the primary causes of casualties as a result of underground coal mine disasters is the generation of high concentrations of carbon monoxide (CO). In this study, a copper (Cu)–manganese (Mn)–tin (Sn) composite oxide catalyst was prepared using the co-precipitation method, and the effects of CO concentration (1–7%), reaction temperature (25–300 °C), and water poisoning degree (0–100%) on CO catalytic oxidation performance were systematically investigated using a dynamic activity testing system. The results demonstrated that within the CO concentration range of 1–7%, the catalyst was able to reduce the CO concentration to below 0.55% in a maximum of 248 s and maintain this level in a relatively stable state. Meanwhile, both the catalytic activity and maximum instantaneous reaction rate exhibited a linear increase with the rise in the CO concentration. Elevated temperature significantly shortened the equilibrium time and reduced the equilibrium concentration, achieving 99.99% elimination efficiency at 300 °C; however, catalyst activity decreased with increasing temperature due to adsorption step limitations. Water poisoning severely affected catalyst performance, with activity, elimination efficiency, and long-term stability exhibiting exponential decay as the water poisoning degree increased, with the most significant performance decline occurring in the 0–60% range. Based on the dynamic gas concentration analysis, the CO oxidation process with this catalyst exhibited characteristics consistent with the Mars–van Krevelen mechanism. These findings provide an experimental basis for evaluating the applicability of Sn-containing catalysts in extreme underground coal mine environments. Full article

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16 pages, 2511 KB

Open AccessReview

Recent Progress and Prospect in Studying Selective Inhibitors Toward Bromodomain Family Members

by Jianzhong Chen, Yu’e Huang, Jian Wang and Wanchun Yang

Molecules 2026, 31(5), 837; https://doi.org/10.3390/molecules31050837 (registering DOI) - 2 Mar 2026

Abstract

Bromodomain (BRD)-containing proteins are gaining attention as key targets in epigenetic drug development. BRDs bind to acetylated lysine residues on histones and other proteins, significantly impacting transcriptional regulation and chromatin remodeling. As our grasp of bromodomain structures and biochemistry deepens, the momentum behind [...] Read more.

Bromodomain (BRD)-containing proteins are gaining attention as key targets in epigenetic drug development. BRDs bind to acetylated lysine residues on histones and other proteins, significantly impacting transcriptional regulation and chromatin remodeling. As our grasp of bromodomain structures and biochemistry deepens, the momentum behind developing small-molecule inhibitors for these BRD domains is triggered and potent inhibitors targeting different family members of BRDs are proposed. In addition, computational simulations have also played a significant role in advancing inhibitor design for the BRD family. This review delves into recent breakthroughs in small-molecule BRD receptor inhibitors and computational studies, spotlighting their biological impact and therapeutic potential, and outlining the research road ahead. This review is expected to provide guidance for future drug design of BRD inhibitors. Full article

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38 pages, 14606 KB

Open AccessReview

Toward General Design of Mn-Based Layered Oxide Cathodes for Sodium-Ion Batteries: From Thermodynamic Principles to Entropy Engineering

by Li Dong, Xiang-Yu Qian, Jian Xiong, Yi-Han Zhang, Xing Wang, Jing-Yi Ding, Fa-Jia Zhang, Jia-Qi Shen, Qi-Rui Zhang and Yong-Gang Sun

Molecules 2026, 31(5), 836; https://doi.org/10.3390/molecules31050836 (registering DOI) - 2 Mar 2026

Abstract

Mn-based layered oxide cathodes are pivotal for advancing sodium-ion batteries, yet their practical deployment is hindered by structural instability and complex phase transformations during cycling. This review provides a systematic overview of recent strategies aimed at rational design and performance enhancement of these [...] Read more.

Mn-based layered oxide cathodes are pivotal for advancing sodium-ion batteries, yet their practical deployment is hindered by structural instability and complex phase transformations during cycling. This review provides a systematic overview of recent strategies aimed at rational design and performance enhancement of these materials. It begins with fundamental thermodynamic principles governing phase formation, particularly P2/O3 structural dichotomy, and highlights the critical roles of sodium content, transition metal chemistry, and ionic potential in determining crystal stability. The emergence of high-entropy engineering is examined as a powerful approach to suppress detrimental phase transitions through configurational entropy stabilization, lattice distortion, and synergistic multi-element interactions. Furthermore, the integration of machine learning with multidimensional descriptors including electronegativity-weighted entropy and cationic potential enables more accurate predictions of phase behavior in complex compositional spaces. The review also highlights the decisive influence of synthesis protocols, where precise control over calcination conditions, atmosphere, and local elemental distribution enables the formation of targeted phase architectures, such as P2/O3 intergrowth, which exhibit superior electrochemical robustness. Collectively, these advances illustrate a shift from empirical trial and error toward a theory-guided, data-informed framework for designing high-performance layered oxide cathodes. Full article

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26 pages, 1448 KB

Open AccessArticle

Unlocking the Potential of Natural Deep Eutectic Solvents for the Valorization of Different Biological Materials

by Jovana Grbić, Slađana Davidović, Mihajlo Bogdanović, Miona Miljković, Predrag Petrović, Dušan Mijin and Aleksandra Djukić-Vuković

Molecules 2026, 31(5), 835; https://doi.org/10.3390/molecules31050835 (registering DOI) - 2 Mar 2026

Abstract

Extractions with natural deep eutectic solvents (NADESs) as tunable, biocompatible and green solvents are a new widely applicable platform in cascading fractionation of highly complex biological materials. Roles of NADESs can be multiple, from extraction of phenolics and polysaccharides to stabilization or even [...] Read more.

Extractions with natural deep eutectic solvents (NADESs) as tunable, biocompatible and green solvents are a new widely applicable platform in cascading fractionation of highly complex biological materials. Roles of NADESs can be multiple, from extraction of phenolics and polysaccharides to stabilization or even support of biocatalysts and extracted compounds in further bioprocessing. Their utilization offers alternative valorization routes in comparison to conventional extractions, decreasing the GHG emissions of underexploited wasted biomass and fossil-based solvents. This study examined the potential of different NADESs as solvents in fractionation of three distinctive biological materials—corn stalks, common nettle, and mycelium of the higher fungus Fomes fomentarius. NADESs were used for delignification and extraction processes, and selected extracts were tested as substrates for lactic acid bacteria (LAB) with an aim to enhance them through microbial biotransformation. For this purpose, D-glucose–glycerol (1:3), betaine–1,3 propanediol (1:4), and betaine–glycerol (1:2) NADESs were selected. According to the results, betaine–glycerol NADES was the most promising solvent for achieving the highest delignification rate and the highest yields of extracted polyphenols and polysaccharides. Moreover, the obtained extracts showed the ability to serve as growth media for LAB, emphasizing the possibility of establishing novel LAB-fortified products, aligning with circular and zero-waste biorefinery principles. Full article

(This article belongs to the Special Issue Re-Valorization of Waste and Food Co-Products)

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12 pages, 2064 KB

Open AccessArticle

Thermoresponsive Star Dendronized Polymers as Smart Nanoboxes

by Ze Qiao, Yi Yao, Afang Zhang and Wen Li

Molecules 2026, 31(5), 834; https://doi.org/10.3390/molecules31050834 (registering DOI) - 2 Mar 2026

Abstract

Star polymers with dense shell structures exhibit unique advantages in molecule encapsulation. The incorporation of dendronized polymers as arms into star polymers enables the formation of spherical core–shell structures with high-density chain stacking, which is of great significance for enhancing their encapsulation capabilities. [...] Read more.

Star polymers with dense shell structures exhibit unique advantages in molecule encapsulation. The incorporation of dendronized polymers as arms into star polymers enables the formation of spherical core–shell structures with high-density chain stacking, which is of great significance for enhancing their encapsulation capabilities. Here, we report on the synthesis of a new type of star dendronized polymer consisting of oligoethylene glycol (OEG)-based dendronized polymers as the arms and gold nanoparticles (AuNPs) as the core. Due to the thickness of individual dendronized polymer arms, the morphology of star dendronized polymers was directly visualized by an atomic force microscope (AFM). These star polymers inherit characteristic thermoresponsiveness from the OEG-based dendronized linear polymers, and their thermoresponsive behavior depends mainly on the grafting density of polymer chains on the AuNP cores and the molecular weights of the polymer arms. More importantly, these star dendronized polymers exhibit a tunable encapsulation capacity to guest molecules, which can be modulated through thermally induced aggregation. By virtue of these peculiarities, these thermoresponsive star dendronized polymers with tailorable release properties hold promise as smart nanoboxes for bio-applications, including drug delivery and biosensing. Full article

(This article belongs to the Special Issue Topological Polymers for Advanced Materials)

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42 pages, 3289 KB

Open AccessReview

Emodin and the Anthraquinone Scaffold: Therapeutic Promise and Strategies to Overcome Translational Barriers

by Rositsa Mihaylova, Viktoria Elincheva, Rumyana Simeonova and Georgi Momekov

Molecules 2026, 31(5), 833; https://doi.org/10.3390/molecules31050833 (registering DOI) - 2 Mar 2026

Abstract

Emodin, a trihydroxy-methyl anthraquinone abundant in rhubarb, Polygonum species, and other medicinal plants, exemplifies the therapeutic potential and translational complexity of the broader anthraquinone scaffold. Anthraquinone derivatives have demonstrated antiproliferative, anti-inflammatory, metabolic, cardiovascular, antifibrotic, and immunomodulatory effects, consistently reported across diverse preclinical models, [...] Read more.

Emodin, a trihydroxy-methyl anthraquinone abundant in rhubarb, Polygonum species, and other medicinal plants, exemplifies the therapeutic potential and translational complexity of the broader anthraquinone scaffold. Anthraquinone derivatives have demonstrated antiproliferative, anti-inflammatory, metabolic, cardiovascular, antifibrotic, and immunomodulatory effects, consistently reported across diverse preclinical models, targeting pathways such as NF-κB, PI3K/AKT, MAPKs, AMPK, PPARs, NLRP3, and ferroptosis-related axes. Despite strong preclinical efficacy, clinical development has been limited by unfavorable absorption, distribution, metabolism, and excretion (ADME) characteristics, including poor aqueous solubility, extensive first-pass glucuronidation, and active efflux via intestinal and hepatic transporters. These features result in low and variable systemic exposure, while high local concentrations, particularly in the gastrointestinal tract, contribute to context-dependent toxicity signals that complicate risk assessment. The present review integrates pharmacological, toxicological, and formulation-focused evidence to provide a unified assessment of emodin and the anthraquinone scaffold. Particular emphasis is placed on bidirectional, dose- and context-dependent effects on the liver and kidney; the modulation of cytochrome P450 enzymes, UGTs, and transporters; and emerging preclinical formulation strategies that aim to decouple intrinsic bioactivity from pharmacokinetic limitations. Full article

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

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28 pages, 843 KB

Open AccessArticle

In Vitro Evaluation of the Bioactive Potential of Commercial Pepper Essential Oils

by Florinda Fratianni, Giuseppe Amato, Francesca Coppola, Maria Neve Ombra, Antonio d’Acierno, Laura De Martino, Vincenzo De Feo and Filomena Nazzaro

Molecules 2026, 31(5), 832; https://doi.org/10.3390/molecules31050832 (registering DOI) - 2 Mar 2026

Abstract

This study analyzed five essential oils derived from plants that, despite sharing the common “pepper”, belong to distinct genera and botanical families, which are increasingly recognized for their multifunctional bioactivities, including antioxidant, neuroprotective, and antimicrobial properties. In particular, five commercially available essential oils [...] Read more.

This study analyzed five essential oils derived from plants that, despite sharing the common “pepper”, belong to distinct genera and botanical families, which are increasingly recognized for their multifunctional bioactivities, including antioxidant, neuroprotective, and antimicrobial properties. In particular, five commercially available essential oils obtained from Pimenta dioica, Piper nigrum, Schinus molle, Schinus terebinthifolia, and Zanthoxylum armatum were chemically characterized and systematically evaluated for their biological potential. Gas chromatography–mass spectrometry analysis revealed distinct phytochemical profiles dominated by phenylpropanoids, monoterpenes, or oxygenated monoterpenes, which were further discriminated by multivariate statistical analysis. The essential oils were assessed in vitro for antioxidant capacity (DPPH and TEAC assays), anti-arthritic activity (protein denaturation inhibition), neuroprotective effects (acetylcholinesterase, butyrylcholinesterase, and tyrosinase inhibition), and antibiofilm activity against clinically relevant Gram-positive and Gram-negative bacteria. All oils exhibited measurable antioxidant and enzyme inhibitory activities, with P. dioica and P. nigrum showing the most balanced redox and neuroprotective profiles. Significant antibiofilm effects were observed during biofilm formation, while mature biofilms displayed strain- and oil-dependent susceptibility, highlighting differences between biomass reduction and metabolic inhibition. Overall, the results demonstrate that pepper-derived essential oils possess complementary and multi-target bioactivities strongly linked to their chemical composition, supporting their potential application as natural agents in food, pharmaceutical, and biomedical fields. Full article

(This article belongs to the Special Issue Chemical Composition and Biological Activity of Essential Oils and Other Extracts: From Extraction to Application Second Edition)

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20 pages, 2394 KB

Open AccessArticle

Comparative Metabolomics and Transcriptomics Analysis of Rosa roxburghii Tratt and Rosa kweichonensis var. sterilis

by Xiaohui Wu, Yi Yuan, Yu Yang, Min Yan, Qiong Yang, Jun Zha, Guoshun Pei, Yali Wei and Li Tang

Molecules 2026, 31(5), 831; https://doi.org/10.3390/molecules31050831 (registering DOI) - 2 Mar 2026

Abstract

Rosa roxburghii Tratt (RR) and Rosa kweichonensis var. sterilis (RS) are both edible medicinal plants. However, they are often confused due to their similar phenotypic characteristics, which may limit their targeted development and utilization. Here, we integrated targeted metabolomics (UPLC-MS/MS) and transcriptomics (Illumina [...] Read more.

Rosa roxburghii Tratt (RR) and Rosa kweichonensis var. sterilis (RS) are both edible medicinal plants. However, they are often confused due to their similar phenotypic characteristics, which may limit their targeted development and utilization. Here, we integrated targeted metabolomics (UPLC-MS/MS) and transcriptomics (Illumina HiSeq) to systematically dissect the metabolic and transcriptional differences between the two species. Metabolomic profiling identified 558 differentially accumulated metabolites (DAMs), defined as metabolites with significantly different abundance between RS and RR, predominantly classified as flavonoids and phenolic acids. Among these, vitamin C (L-ascorbic acid) and argininosuccinic acid were prioritized as key DAMs based on their significant fold changes, high abundance, and functional relevance to bioactivity and stress tolerance. Transcriptomic analysis further revealed that vitamin C synthesis is primarily driven by the coordinated up-regulation of USP and GME genes in the L-ascorbic acid metabolic pathway, while argininosuccinic acid production, as an intermediate in the urea cycle, is mainly mediated by the up-regulated glnA gene. These findings not only clarify the molecular basis of metabolic divergence between RR and RS but also provide potential biomarkers for their identification, laying a solid foundation for their development as distinct functional foods. Full article

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

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59 pages, 1630 KB

Open AccessReview

Biological Activity of Stilbenoids Against Fungal, Parasitic, and Viral Pathogens

by Aristodemos-Theodoros Periferakis, Argyrios Periferakis, Lamprini Troumpata, Konstantinos Periferakis, Andreea-Elena Scheau, Adrian Iftime, Ana Caruntu, Ioana Anca Badarau, Constantin Caruntu and Cristian Scheau

Molecules 2026, 31(5), 830; https://doi.org/10.3390/molecules31050830 (registering DOI) - 1 Mar 2026

Abstract

Stilbenoids are plant-derived chemical compounds that are classified as phytoalexins; recent focus has been drawn, especially on astringin, piceid, piceatannol, pterostilbene, pinosylvin, and resveratrol. These substances have been extensively studied for a variety of beneficial properties, including their effects on pathogenic microorganisms, parasites, [...] Read more.

Stilbenoids are plant-derived chemical compounds that are classified as phytoalexins; recent focus has been drawn, especially on astringin, piceid, piceatannol, pterostilbene, pinosylvin, and resveratrol. These substances have been extensively studied for a variety of beneficial properties, including their effects on pathogenic microorganisms, parasites, and viruses. In their antifungal capacity, they are effective against Aspergillus spp., Botrytis spp., Candida spp., Trichophyton spp., and other fungi; tested stilbenoids have exhibited fungicidal and fungistatic effects, and inhibition of biofilm formation. Against parasites, they are effective against Echinococcus spp., Leishmania spp., Schistosoma spp., Trypanosoma spp., Toxoplasma spp., among others. Relevant action mechanisms include a reduction in parasitic enzymatic activity and inhibition of proliferation. They are also effective against different DNA and RNA viruses; the relevant mechanisms comprise reduction in viral replication, inhibition of viral genome expression, and viral attachment to cells. The toxicity of stilbenoids has been reviewed in recent papers, and, in most cases, the effective concentrations applied are well below the toxicity limit. Full article

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

20 pages, 2933 KB

Open AccessArticle

Crosslinker-Free, Printable Alginate–Boronic Acid Hydrogel Adhesive with Enhanced Mechanical Performance for Soft Tissue Fixation

by Anna Marszałek, Zuzanna Kurzępa, Mikołaj Gąbka, Anna Ścisłowska-Czarnecka and Ewa Stodolak-Zych

Molecules 2026, 31(5), 829; https://doi.org/10.3390/molecules31050829 (registering DOI) - 1 Mar 2026

Abstract

Tissue adhesives offer a promising alternative to traditional sutures and staples, particularly in situations requiring rapid, minimally invasive wound closure. To address the limitations of commercially available cyanoacrylate-based adhesives, numerous hydrogel adhesives have been developed. This study presents the synthesis and characterisation of [...] Read more.

Tissue adhesives offer a promising alternative to traditional sutures and staples, particularly in situations requiring rapid, minimally invasive wound closure. To address the limitations of commercially available cyanoacrylate-based adhesives, numerous hydrogel adhesives have been developed. This study presents the synthesis and characterisation of an alginate–aminophenylboronic acid (Alg-APBA) hydrogel adhesive, optimised for bioprinting as a method allowing us to control the thickness of the adhesive layer. The adhesive combines the biocompatibility of alginate with the pH-responsive bonding ability of boronic acid groups, eliminating the need for oxidative crosslinkers. Successful conjugation of APBA to alginate was confirmed via ¹H NMR, FTIR and UV-VIS spectroscopy, with a degree of substitution reaching approximately 46% or ~0.22 mol%. Rheological analysis demonstrated shear-thinning and self-healing properties suitable for bioprinting, achieving a high print fidelity (Pr ratio = 0.99 ± 0.08) and repeatability. Mechanical testing showed a shear strength of 19.0 ± 0.5 kPa and an interfacial toughness of 58.0 ± 2.11 J/m², exceeding those of commercial fibrin adhesives. Additionally, the adhesive joint remained stable after one week of incubation in an acidic environment. The material demonstrated biocompatibility during in vitro testing with keratinocytes and fibroblast cells. These results indicate that Alg-APBA is a strong, biocompatible and printable hydrogel adhesive with potential applications in soft tissue implant fixation. Full article

(This article belongs to the Special Issue Applications of Natural Polymers in Biomedicine)

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19 pages, 11465 KB

Open AccessArticle

Single-Electron Transistor Based on Quantum Dots in Twisted Graphene/Hexagonal Boron Nitride Bilayer Heterostructure

by Xinyu Wang, Liang Deng, Fuhao Wang, Shengqiang Ding, Fuan Wang, Jiarui Chen, Haolin Lu, Guankui Long and Zhongkai Huang

Molecules 2026, 31(5), 828; https://doi.org/10.3390/molecules31050828 (registering DOI) - 1 Mar 2026

Abstract

Twisted graphene/hexagonal boron nitride (TG/hBN) bilayers, with their tunable moiré potential and atomically clean interfaces, offer an ideal platform for high-performance single-electron transistors (SET). Combining quantum transport simulations with first-principles calculations, we systematically investigate how stackings (AA, AB, BA), twist angles, quantum dot [...] Read more.

Twisted graphene/hexagonal boron nitride (TG/hBN) bilayers, with their tunable moiré potential and atomically clean interfaces, offer an ideal platform for high-performance single-electron transistors (SET). Combining quantum transport simulations with first-principles calculations, we systematically investigate how stackings (AA, AB, BA), twist angles, quantum dot sizes, and gate-island coupling jointly modulate SET performance. Our central finding reveals a clear hierarchy: quantum dot size and stacking configuration dominate charge stability and transport, while twist angle introduces precise control of charge state. All stackings exhibit sharp, symmetric Coulomb blockade peaks, confirming stable single-electron tunneling, and gate coupling remains highly linear across parameters. Strikingly, only AA-stacked devices show a systematic twist-angle-dependent shift in conductance peaks, a direct signature of its perfect atomic registry and extreme angular sensitivity. This work establishes an idealized “size-, stacking-, and twist-angle modulation” design principle and theoretical roadmap based on TG/hBN, providing fundamental insights for future experimental exploration of tunable, low-noise quantum-electronic devices from twisted 2D heterostructures. Full article

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17 pages, 2649 KB

Open AccessArticle

Inhibitory Effect of Trichoderma citrinoviride Secondary Metabolites on the Growth Kinetics and Spore Germination of Fungal Phytopathogens

by Michał Piegza, Aleksandra Kaliciak and Wojciech Łaba

Molecules 2026, 31(5), 827; https://doi.org/10.3390/molecules31050827 (registering DOI) - 28 Feb 2026

Abstract

Hyphae fungi of the Trichoderma genus are widely recognized as effective biological control factors (BCAs) due to their ability to inhibit the growth of plant pathogens through a variety of mechanisms such as mycoparasitism, antibiotics or competition for resources. Specialized secondary metabolites (SMs), [...] Read more.

Hyphae fungi of the Trichoderma genus are widely recognized as effective biological control factors (BCAs) due to their ability to inhibit the growth of plant pathogens through a variety of mechanisms such as mycoparasitism, antibiotics or competition for resources. Specialized secondary metabolites (SMs), including volatile organic compounds (VOCs), lytic enzymes and surfactants, play an important role in these interactions. The aim of this study was to evaluate the antagonistic activity and characterization of secondary metabolites from the aqueous phase or suspended in an organic solvent produced by three strains of Trichoderma citrinoviride. The study focused on their enzymatic properties, surfactant potential and effect on the growth kinetics of sixteen fungal species. Antagonistic activity against phytopathogens was tested using the turbidimetric method, analyzing various forms of preparations. Lytic enzyme activity and surface tension of fluids were also evaluated. The C1 strain showed the broadest spectrum of antagonistic activity. Analysis of growth kinetics revealed that the way metabolites are prepared is crucial for their efficacy. Studies have shown that the effectiveness of biocontrol depends not only on the Trichoderma strain, but also on the extraction method and form of the preparation (e.g., rehydration of lyophilizate vs. organic phase extraction). The presence of diverse metabolites, including lytic enzymes, biosurfactants and volatile organic compounds, indicates a complex mechanism of action of T. citrinoviride, making this species an ideal candidate for the production of plant protection biopreparations. Full article

18 pages, 1696 KB

Open AccessArticle

Organ-Specific Chemical Diversity and Biofunctional Potential of Ebenus laguroides subsp. laguroides: Linking Phenolic Composition with Antioxidant and Enzyme Inhibitory Activities

by Bedrettin Selvi

Molecules 2026, 31(5), 826; https://doi.org/10.3390/molecules31050826 (registering DOI) - 28 Feb 2026

Abstract

Plants adapted to gypsum-rich habitats often display unique metabolic specializations. This study investigated the organ-specific chemical diversity and biofunctional potential of Ebenus laguroides subsp. laguroides, a gypsum-endemic legume from Central Anatolia. Methanolic extracts of flowers, leaves, stems, and roots were analyzed for [...] Read more.

Plants adapted to gypsum-rich habitats often display unique metabolic specializations. This study investigated the organ-specific chemical diversity and biofunctional potential of Ebenus laguroides subsp. laguroides, a gypsum-endemic legume from Central Anatolia. Methanolic extracts of flowers, leaves, stems, and roots were analyzed for phenolic composition by LC–ESI–MS/MS and evaluated for antioxidant and enzyme inhibitory activities. Twenty-one phenolics were identified, dominated by hesperidin, verbascoside, and (+)-catechin, particularly abundant in stems. Stems exhibited the highest total phenolic (82.60 mg GAEs/g) and flavonoid (45.79 mg QEs/g) contents, correlating strongly with antioxidant capacity across multiple assays (r > 0.95). Enzyme inhibition tests revealed moderate but consistent activities, with roots showing the strongest acetylcholinesterase inhibition and stems the highest tyrosinase inhibition. Correlation analyses confirmed strong links between phenolic content, antioxidant potential, and enzyme modulation. The results highlight distinct organ-dependent metabolite patterns and demonstrate that E. laguroides subsp. laguroides is a noteworthy source of multifunctional phenolics. These findings contribute to understanding the chemical biodiversity and bioactivity relationships within Fabaceae species adapted to gypsum soils and provide a foundation for further phytochemical and pharmacological exploration. Full article

(This article belongs to the Special Issue Bioactive Secondary Metabolites in Natural Products)

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20 pages, 4940 KB

Open AccessArticle

Impact of C-Terminal Amide N-Derivatization on the Conformational Dynamics and Antimitotic Activity of Cemadotin Analogues

by Dayana Alonso, Daniel Platero-Rochart, Pauline Stark, Leonardo G. Ceballos, Robert Rennert, Daniel G. Rivera, Julieta Coro-Bermello and Ludger A. Wessjohann

Molecules 2026, 31(5), 825; https://doi.org/10.3390/molecules31050825 (registering DOI) - 28 Feb 2026

Abstract

Tubulin is a heterodimeric protein composed of α- and β-subunits, which polymerize to form the cell’s microtubules. The latter are key components in mitotic spindle formation and essential targets in anticancer therapy. Compounds such as paclitaxel, tubulysins, dolastatins and synthetic analogues of these [...] Read more.

Tubulin is a heterodimeric protein composed of α- and β-subunits, which polymerize to form the cell’s microtubules. The latter are key components in mitotic spindle formation and essential targets in anticancer therapy. Compounds such as paclitaxel, tubulysins, dolastatins and synthetic analogues of these latter compounds, including cemadotin, exert their cytotoxic effects by disrupting microtubule dynamics. Previously, we reported the production and anticancer activity of a library of cemadotin analogues featuring a C-terminal tertiary amide functionalized with a variety of N-substituents, thus resulting in compounds occurring as a mixture of amide rotamers. Here we describe a comprehensive NMR and conformational study that provides new insights into the effect of the conformational equilibrium on the binding mode of the novel cemadotin analogues to the tubulin target. The conformational behavior of the isomer equilibrium of cemadotin’s terminal amide bond was investigated by TOCSY and ROESY NMR experiments, which allowed the identification and quantification of individual rotamer populations. A slow interconversion between the s-cis and s-trans amide rotamers was observed under standard NMR conditions (25 °C), indicating a significant energy barrier and conformational rigidity. Molecular docking and saturation transfer difference (STD) NMR experiments were performed with a representative analogue and tubulin to assess the binding mode. The results revealed that the s-trans rotamer is the predominant conformer in solution and exhibits a more favorable interaction with tubulin compared to the s-cis isomer, thus helping to understand the conformational requirements for an improved tubulin binding and the inhibition of the polymerization process. Full article

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

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19 pages, 2479 KB

Open AccessArticle

Investigation of Sr²⁺ Extraction from Aqueous Phase Using Novel Diglycolamide/Ionic Liquid System

by Siqi Ma, Shuping Tan, Xue Bai, Ruyi Wang, Song Qing, Mali Xu, You Song, Yan Chen and Guoan Ye

Molecules 2026, 31(5), 824; https://doi.org/10.3390/molecules31050824 (registering DOI) - 28 Feb 2026

Abstract

Obtaining high-purity ⁹⁰Sr is crucial because it is the parent radionuclide of the ⁹⁰Sr/⁹⁰Y generator. However, ⁹⁰Sr products recovered from high-level liquid waste (HLLW) often fail to meet the stringent purity requirements. This necessitates the development of a [...] Read more.

Obtaining high-purity ⁹⁰Sr is crucial because it is the parent radionuclide of the ⁹⁰Sr/⁹⁰Y generator. However, ⁹⁰Sr products recovered from high-level liquid waste (HLLW) often fail to meet the stringent purity requirements. This necessitates the development of a novel extraction system that can seamlessly connect with existing separation processes to achieve the required purity level. A novel diglycolamide (DGA) ligand was designed and synthesized. The distribution ratios (D) of several traditional organic diluents and ionic liquids (ILs) as diluents were compared under the same experimental conditions; 1-butyl-3-methylimidazolium bis(trifluoromethanesulphonyl)imide ([C₄mim][NTf₂]) was chosen as the optimal diluent. The HNO₃ concentration, ligand concentration, [C₄mim]⁺ concentration, etc., were assessed. The extraction mechanism was confirmed to ensure that the extraction proceeded mainly via the [C₄mim]⁺ and H⁺ exchange mechanisms. Slope analysis and the ESI-MS results revealed that the novel ligand N,N-diphenyl-N′,N′-dibutyl diglycolamide (DPDBDGA, L) in [C₄mim][NTf₂] formed a 1:3 complex with Sr²⁺. The experiments on Sr²⁺ indicated that it can be recovered completely with 1 M mineral acid within two stages. Furthermore, we predicted that the novel DGA ligand would provide a good extraction capacity for Sr²⁺ in dilute nitric acid in the [C₄mim][NTf₂] system. This system can be linked to the separation process of extracting Sr²⁺ from HLLW using N,N,N′,N′-tetraoctyl-diglycolamide (TODGA) or crown ethers as extractants. Consequently, high-purity ⁹⁰Sr products can be obtained. Full article

(This article belongs to the Topic Advances in Solvent Extraction)

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