Molecules

27 pages, 3810 KB

Open AccessArticle

Process-Modulated Flavor Formation and Establishment of Predictive Modeling for Aroma in Spicy Anchovies

by Zishan Liao, Qian Liu, Wenli Kang, Tao Feng, Zemin Ding, Shixian Yin and Shiqing Song

Molecules 2026, 31(1), 57; https://doi.org/10.3390/molecules31010057 (registering DOI) - 23 Dec 2025

Research on spicy anchovies lacks dedicated sensory frameworks, reliable aroma identification, and systematic processing–flavor insights. In this study, 21 spicy anchovy samples with different processing parameters were selected as research objects. The effects of process modifications on the sensory attributes and aroma composition [...] Read more.

Research on spicy anchovies lacks dedicated sensory frameworks, reliable aroma identification, and systematic processing–flavor insights. In this study, 21 spicy anchovy samples with different processing parameters were selected as research objects. The effects of process modifications on the sensory attributes and aroma composition of spicy anchovies were investigated through sensory evaluation and aroma analysis. A product-specific flavor wheel (5 modalities, 136 terms) with 17 key descriptors was built via Quantitative Descriptive Analysis. GC-O combined with AEDA/AECA identified 13 key aroma compounds in the commercial sample. HS-SPME-GC-MS detected 73 volatiles across all samples, among which olefins (34 species) were dominant and their formation was linked to lipid oxidation and high-temperature processing. Odor activity values and sensory data revealed that a frying temperature of 180 °C promoted nonanal and (E)-β-ocimene to enhance “fried seafood aroma”; Xiaomila chili pepper boosted “initial spiciness” via capsaicin; and high Sichuan pepper masked “fishy off-flavor” via linalyl acetate. A prediction model for aroma sensory attributes was established and the prediction correlations for “braised beef in soy sauce aroma” and “fried seafood aroma” were relatively high (r = 0.90 and 0.96, respectively). This study provides theoretical guidance for the flavor improvement of spicy anchovies. Full article

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25 pages, 827 KB

Open AccessReview

Application of Photo-Fenton Process to Highly Saline Water Matrices: Effect of Inorganic Ions on Iron Speciation

by Ivan Vallés, Javier Moreno-Andrés, Iván Sciscenko, Lucas Santos-Juanes and Antonio Arques

Molecules 2026, 31(1), 56; https://doi.org/10.3390/molecules31010056 - 23 Dec 2025

Abstract

The photo-Fenton process has been widely studied for the treatment of organic pollutants and disinfection in a wide range of scenarios. Nevertheless, its efficiency decreased when applied to complex matrices, as in the case of most advanced oxidation processes. Despite the interferences caused [...] Read more.

The photo-Fenton process has been widely studied for the treatment of organic pollutants and disinfection in a wide range of scenarios. Nevertheless, its efficiency decreased when applied to complex matrices, as in the case of most advanced oxidation processes. Despite the interferences caused by different anions, the photo-Fenton is able to obtain good degradation values for pollutants and microorganisms, especially in combination with other methods; however, it depends on the matrix to be treated. Due to the lack of studies and reviews in this field, this paper reviewed the outcome of the inorganic ions present on highly saline water matrices (more than 1 g L⁻¹ of chlorides, fluorides, bromides, sulphates, carbonates or bicarbonates, borates, phosphates and nitrates/nitrites) on the Fenton-based processes, focusing on their outcome on iron speciation and their scavenger effect. Also, the most relevant works so far for the abatement of microcontaminants and disinfection by this process on highly saline matrices have been revised. Special emphasis is on the efficiency of the process, considering the relevant industries referred to. Full article

(This article belongs to the Topic Wastewater Treatment Based on AOPs, ARPs, and AORPs)

22 pages, 781 KB

Open AccessReview

Preclinical Risk Assessment of Plant Lectins with Pharmacological Applications: A Narrative Review

by Amanda de Oliveira Marinho, Maria Nívea Bezerra da Silva, Suéllen Pedrosa da Silva, Isabella Coimbra Vila Nova, Jainaldo Alves da Costa, Patrícia Maria Guedes Paiva, Lidiane Pereira de Albuquerque, Emmanuel Viana Pontual, Leydianne Leite de Siqueira Patriota and Thiago Henrique Napoleão

Molecules 2026, 31(1), 55; https://doi.org/10.3390/molecules31010055 (registering DOI) - 23 Dec 2025

Abstract

Plants have been used for medicinal purposes both intuitively and based on traditional knowledge for centuries. Recently, however, there has been a significant increase in research focused on medicinal plants to meet the growing demands of the pharmaceutical industry. As a result, it [...] Read more.

Plants have been used for medicinal purposes both intuitively and based on traditional knowledge for centuries. Recently, however, there has been a significant increase in research focused on medicinal plants to meet the growing demands of the pharmaceutical industry. As a result, it has become essential to evaluate the safety of natural products for human use. This review examines in vitro and in vivo toxicity studies of lectins, a class of plant proteins with pharmacological applications. The reviewed data indicate that many of these proteins do not appear to be toxic to human and animal cells, nor when administered to rodents through oral, intraperitoneal, or intravenous routes. However, some lectins have shown toxicity under certain conditions, such as depending on the administration route, dose, and treatment duration. These adverse effects may include behavioral changes, antinutritional effects, hepatotoxicity, nephrotoxicity, pancreatic hypertrophy, allergic reactions, and even death. Therefore, it is crucial to prioritize toxicological studies to ensure the safety of these plant proteins as potential drug candidates in the future. Full article

(This article belongs to the Special Issue Natural Bioactives for Health: Therapeutic Promise and Safety Considerations)

16 pages, 939 KB

Open AccessArticle

Optimization of Azidophenylselenylation of Glycals for the Efficient Synthesis of Phenyl 2-Azido-2-Deoxy-1-Selenoglycosides: Solvent Control

by Bozhena S. Komarova, Olesia V. Belova, Timur M. Volkov, Dmitry V. Yashunsky and Nikolay E. Nifantiev

Molecules 2026, 31(1), 54; https://doi.org/10.3390/molecules31010054 - 23 Dec 2025

Abstract

Azidophenylselenylation (APS) of glycals is a straightforward transformation for preparing phenylseleno 2-azido-2-deoxy derivatives, which are useful blocks in the synthesis of 2-amino-2-deoxy-glycoside-containing oligosaccharides. However, the previously developed APS methods employing the CH₂Cl₂ as solvent, Ph₂Se₂-PhI(OAc)₂ [...] Read more.

Azidophenylselenylation (APS) of glycals is a straightforward transformation for preparing phenylseleno 2-azido-2-deoxy derivatives, which are useful blocks in the synthesis of 2-amino-2-deoxy-glycoside-containing oligosaccharides. However, the previously developed APS methods employing the CH₂Cl₂ as solvent, Ph₂Se₂-PhI(OAc)₂ (commonly known as BAIB), and a source of N₃⁻ are still not universal and show limited efficiency for glycals with gluco- and galacto-configurations. To address this limitation, we revisited both heterogeneous (using NaN₃) and homogeneous (using TMSN₃) APS approaches and optimized the reaction conditions. We found that glycal substrates with galacto- and gluco-configurations require distinct conditions. Galacto-substrates react relatively rapidly, and their conversion depends mainly on efficient azide-ion transfer into the organic phase, which is promoted by nitrile solvents (CH₃CN, EtCN). In contrast, for the slower gluco-configured substrates, complete conversion requires a non-polar solvent still capable of azide-ion transfer, such as benzene. These observations were applied to the optimized synthesis of phenylseleno 2-azido-2-deoxy derivatives of d-galactose, d-glucose, l-fucose, l-quinovose, and l-rhamnose. Full article

(This article belongs to the Special Issue 10th Anniversary of the Bioorganic Chemistry Section of Molecules)

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28 pages, 725 KB

Open AccessReview

Tomato Pomace: Underestimated Sustainable Cosmetic/Pharmaceutical Raw Source

by Ewa Maciejczyk, Anna Wajs-Bonikowska, Mirella Batory and Elzbieta Budzisz

Molecules 2026, 31(1), 53; https://doi.org/10.3390/molecules31010053 - 23 Dec 2025

Abstract

This article explores the multifaceted potential of tomato pomace (TP) as a sustainable resource for the cosmetic and pharmaceutical industries, with a particular focus on the critical discussion surrounding peel–seed separation processes. Despite the significant volume of TP generated globally, valued molecules such [...] Read more.

This article explores the multifaceted potential of tomato pomace (TP) as a sustainable resource for the cosmetic and pharmaceutical industries, with a particular focus on the critical discussion surrounding peel–seed separation processes. Despite the significant volume of TP generated globally, valued molecules such as carotenoids, polyphenols, and high-quality oils remain underutilized. The separation of seeds from peels is highlighted as a critical step in the valorization of TP, as both components offer distinct physicochemical properties and bioactive constituents that significantly influence extraction efficiency and product quality. Various separation methods, including wet and dry techniques, have been innovatively developed; however, they present challenges such as resource consumption, operational complexity, and environmental concerns. The discussion advocates for a whole-pomace processing strategy that could streamline operations, enhance extraction efficiency, and create sustainable pathways for resource optimization. Additionally, the article highlights the importance of incorporating TP-derived compounds into cosmetic formulations and pharmaceutical products, which could lead to the development of new enzymes, antioxidants, and colorants that contribute to health and wellness. By championing the valorization of TP, the article advocates for a redefined perception of food waste, encouraging its utilization in sustainable practices that align with environmental goals. Full article

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

18 pages, 3399 KB

Open AccessFeature PaperArticle

Electrochemical Detection of Levofloxacin Using a Polydopamine-Based Molecular Imprinting Polymer

by Alessandro Lo Presti, Fabricio Nicolas Molinari, Chiara Abate, Enza Fazio, Carmelo Corsaro, Ottavia Giuffrè, Anna Piperno, Giulia Neri and Claudia Foti

Molecules 2026, 31(1), 52; https://doi.org/10.3390/molecules31010052 - 23 Dec 2025

Abstract

The integration of molecular imprinting technology with electrochemical methods has become fundamental in the development of next-generation sensors. This study explores two different strategies for developing a dopamine-based molecularly imprinted polymer (MIP) for the electrochemical sensing of levofloxacin. In the first case, the [...] Read more.

The integration of molecular imprinting technology with electrochemical methods has become fundamental in the development of next-generation sensors. This study explores two different strategies for developing a dopamine-based molecularly imprinted polymer (MIP) for the electrochemical sensing of levofloxacin. In the first case, the MIP is developed by electropolymerization on a screen-printed carbon electrode (SPCE) surface using cyclic voltammetry, while in the second, the MIP is obtained by an oxidation process, and the resulting dispersion is drop-cast on the SPCE surface. The same approach is used for a non-imprinted polymer. The physicochemical properties of the synthesized materials and the surface morphology of the modified electrodes are investigated by several techniques. Differential pulse voltammetry is used to evaluate the performance of the modified electrodes, assessing their linear concentration range, limit of detection, and limit of quantification, together with repeatability and selectivity. MIP-based SPCEs obtained with these two fabrication strategies exhibited comparable imprinting factor values and linear concentration ranges, along with comparable limits of detection and quantification. The MIP-based SPCE obtained by electropolymerization showed greater repeatability, whereas the MIP-based SPCE produced by drop-casting provided higher sensitivity in levofloxacin detection. Full article

11 pages, 2562 KB

Open AccessArticle

A MXene-Based Solvent-Free Nanofluid Lubricant for Friction and Wear Reduction

by Wenfeng Zhu, Xuwu Luo, Junfeng Xie, Yaoming Zhang, Mifeng Zhao, Junhui Wei, Lei Li, Houbu Li and Peipei Li

Molecules 2026, 31(1), 51; https://doi.org/10.3390/molecules31010051 - 23 Dec 2025

Abstract

With the rapid advancements in industrial technology, the demand for high-performance lubrication has surpassed the capabilities of traditional solid or liquid lubricants. In this study, a novel MXene-based solvent-free lubricating nanofluid was developed through the surface functionalization of Ti₃C₂T [...] Read more.

With the rapid advancements in industrial technology, the demand for high-performance lubrication has surpassed the capabilities of traditional solid or liquid lubricants. In this study, a novel MXene-based solvent-free lubricating nanofluid was developed through the surface functionalization of Ti₃C₂T_x MXene nanosheets. This innovative material combines the superior mechanical properties of solid Ti₃C₂T_x MXene nanosheets with the stable flow and rapid self-repairing capabilities of liquid lubricants. The successful synthesis of the MXene-based solvent-free nanofluid lubricant was confirmed through a series of characterization techniques, and it was demonstrated that this nanofluid maintained excellent flowability at room temperature. Subsequent tribological tests revealed that the friction coefficient and the wear performance of the MXene-based solvent-free nanofluid lubricant improved with increasing mass concentrations of Ti₃C₂T_x MXene nanosheets under consistently applied loads. These results indicate that the MXene-based solvent-free nanofluid lubricant significantly reduces friction and wear, showcasing its potential as a high-performance lubricant for industrial applications. Full article

(This article belongs to the Special Issue Surface Modification of Materials and Their Applications)

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15 pages, 785 KB

Open AccessArticle

In Vitro Biological Activities and Phytochemical Analyses of Mespilus germanica L.

by Ekin Kurtul, Şükran Öztürk, Selen Tekin, Özge Yılmaz and Özlem Bahadır-Acıkara

Molecules 2026, 31(1), 50; https://doi.org/10.3390/molecules31010050 - 23 Dec 2025

Abstract

Mespilus germanica L. is one of the two species of the genus Mespilus L., and is distributed in several regions, including Southeastern Europe, Anatolia, the Caucasus, and parts of the Middle East. The fruits of the plant are consumed as food, and the [...] Read more.

Mespilus germanica L. is one of the two species of the genus Mespilus L., and is distributed in several regions, including Southeastern Europe, Anatolia, the Caucasus, and parts of the Middle East. The fruits of the plant are consumed as food, and the fruits, leaves, and stem bark are traditionally used for various systemic disorders, including gastrointestinal, respiratory, urinary tract, and skin conditions, as well as menstrual irregularities. In our study, the anti-inflammatory potential and antimicrobial activities of aqueous-methanolic extracts prepared from ripe (MGRF) and unripe fruits (MGUF), leaves (MGL), and stem bark (MGB) of M. germanica were evaluated in vitro. Quercetin, catechin, epicatechin, ellagic acid, chlorogenic acid, and caffeic acid were analyzed using high-performance liquid chromatography. MGL exhibited the strongest activity against Staphylococcus aureus (MIC = 8 µg/mL), while MGB was most active against Enterococcus faecalis (MIC = 4 µg/mL), and fruit extracts were effective against resistant Acinetobacter baumannii (MIC = 16–32 µg/mL). Membrane-protective effects were more pronounced in MGUF and MGB, whereas MGL demonstrated the highest protein stabilization activity. Leaves also contained the highest levels of chlorogenic acid and epicatechin. These findings support the traditional use of M. germanica, though further studies are required to explore its therapeutic potential. Full article

(This article belongs to the Special Issue Bioactive Compounds and Small Molecules with Neuroprotective and Anti-Inflammatory Functions)

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10 pages, 961 KB

Open AccessArticle

Comparative Analysis of Glycan Composition in Therapeutic Antibodies via Glycan Profiling and Intact Mass Analysis

by Youn Seo Chun, Jae Beom Lee, Seongin Seomun, Semin Park, Jung-Hyun Na and Byoung Joon Ko

Molecules 2026, 31(1), 49; https://doi.org/10.3390/molecules31010049 - 23 Dec 2025

Abstract

N-glycans represent the most common and abundant post-translational modification (PTM) in therapeutic antibodies, playing crucial roles in key functions such as antibody-dependent cell-mediated cytotoxicity (ADCC) and complement-dependent cytotoxicity (CDC). Consequently, glycan profiling is regarded as a critical quality attribute (CQA) and is routinely [...] Read more.

N-glycans represent the most common and abundant post-translational modification (PTM) in therapeutic antibodies, playing crucial roles in key functions such as antibody-dependent cell-mediated cytotoxicity (ADCC) and complement-dependent cytotoxicity (CDC). Consequently, glycan profiling is regarded as a critical quality attribute (CQA) and is routinely performed to ensure antibody quality and consistency. The Rapi-Fluor method is a conventional standard for detailed glycan profiling, while intact mass analysis serves as a parallel CQA. However, the Rapi-Fluor method is a multi-step, time-consuming process that can limit high-throughput monitoring. In this study, we conducted a rigorous comparative validation of the Rapi-Fluor method and intact mass analysis for determining the glycan composition of ten therapeutic antibodies, comprising five original products and their biosimilars. Consistent with established findings, the biosimilars exhibited glycan compositions highly similar to their original counterparts. Furthermore, major glycans constituted over 85% of the total glycans across all samples. Crucially, the analytical comparison revealed highly congruent results between the Rapi-Fluor method and intact mass analysis, with quantitative differences in glycan composition being less than 10% across all ten therapeutic antibodies. This successfully demonstrates that intact mass analysis is a highly feasible, reliable, and significantly time-efficient alternative for rapidly and reliably assessing glycan composition, thereby accelerating quality control and process monitoring. Full article

(This article belongs to the Special Issue Advances in the Mass Spectrometry of Chemical and Biological Samples)

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30 pages, 2137 KB

Open AccessReview

Dietary Flavonoids as Cross-System Modulators of Hypertension and Intestinal Permeability

by Jessica P. Danh, Andrew T. Gewirtz and Rafaela G. Feresin

Molecules 2026, 31(1), 48; https://doi.org/10.3390/molecules31010048 - 22 Dec 2025

Abstract

Hypertension (HTN) and intestinal permeability (IP) are increasingly recognized as interrelated processes driven by shared oxidative and inflammatory mechanisms. This review synthesizes evidence linking HTN-induced vascular dysfunction to alterations in intestinal barrier integrity and explores the potential of dietary flavonoids as modulators of [...] Read more.

Hypertension (HTN) and intestinal permeability (IP) are increasingly recognized as interrelated processes driven by shared oxidative and inflammatory mechanisms. This review synthesizes evidence linking HTN-induced vascular dysfunction to alterations in intestinal barrier integrity and explores the potential of dietary flavonoids as modulators of these pathologies. A narrative approach was used to synthesize findings from cellular, animal, and human studies that specifically address how flavonoids influence the molecular pathway connecting HTN and IP. Emerging evidence suggests that HTN-driven vascular injury, which is characterized by reduced nitric oxide bioavailability, increased reactive oxygen species, and pro-inflammatory signaling, contributes to tight junction disruption and increased IP. Mechanistic evidence indicates that flavonoids exert both direct antioxidant effects and indirect actions via the modulation of key cellular pathways. Preclinical and clinical data demonstrate that flavonoid-rich foods and isolated compounds can lower blood pressure, enhance endothelial function, and preserve intestinal barrier integrity by stabilizing tight junction proteins and attenuating pro-inflammatory signaling. Together, these findings highlight flavonoids as cross-system modulators that may mitigate HTN-associated increases in IP. Further research addressing sex, race, and age differences, as well as flavonoid bioavailability and dose optimization, is needed to clarify their translational potential. Full article

(This article belongs to the Special Issue Natural Compounds for Disease and Health, 3rd Edition)

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16 pages, 3844 KB

Open AccessArticle

First Total Synthesis of Pestasulfamides A and B Through Iminoketene Dimerization of Anthranilic Acid in One-Pot Manner

by Yuito Kobori and Takumi Abe

Molecules 2026, 31(1), 47; https://doi.org/10.3390/molecules31010047 - 22 Dec 2025

Abstract

Pestasulfamides A and B are phenylbenzene-sulfonamides with an eight-membered dilactam, produced by mangrove endophytic fungus Pestalotiopsis sp. HNY36-1D. In bioassay, pestasulfamide A (1) exhibited potent anti-acetylcholine esterase (AChE) activities with an IC50 value of 11.94 μM, offering new pharmacophores with relevance [...] Read more.

Pestasulfamides A and B are phenylbenzene-sulfonamides with an eight-membered dilactam, produced by mangrove endophytic fungus Pestalotiopsis sp. HNY36-1D. In bioassay, pestasulfamide A (1) exhibited potent anti-acetylcholine esterase (AChE) activities with an IC50 value of 11.94 μM, offering new pharmacophores with relevance to anti-Alzheimer’s disease drug discovery. Although the dimerization reaction of anthranilic acid derivatives forges an dibenzodiazocin-2,6-dione framework, the application of the dimerization to total synthesis of pestasulfamides A (1) and B (2) has not yet been realized. Herein, the first total synthesis of pestasulfamides A and B was achieved through one-pot protocol. The key step features a sulfonylation-induced iminoketene dimerization of anthranilic acid in a pyridine/THF system. Full article

(This article belongs to the Special Issue Natural Products Chemistry in Asia)

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24 pages, 2711 KB

Open AccessArticle

Evaluation of Cedrus atlantica Essential Oil: Chemical Composition, Anticancer Activity and Molecular Docking Studies

by Silvia Gruin, Octavian Crețu, Alexandra Mioc, Marius Mioc, Alexandra Prodea, Elisabeta Atyim, Alexandra Teodora Lukinich-Gruia, Maria-Alexandra Pricop, Armand Gogulescu and Codruța Șoica

Molecules 2026, 31(1), 46; https://doi.org/10.3390/molecules31010046 - 22 Dec 2025

Abstract

Due to their high content of bioactive compounds with anticancer properties, essential oils (EO) are increasingly viewed as valuable therapeutic strategies in oncology. The aim of this study was to evaluate the chemical composition and anticancer activity of Cedrus atlantica EO (CAEO) and [...] Read more.

Due to their high content of bioactive compounds with anticancer properties, essential oils (EO) are increasingly viewed as valuable therapeutic strategies in oncology. The aim of this study was to evaluate the chemical composition and anticancer activity of Cedrus atlantica EO (CAEO) and its PEG-400 and Tween 20 formulations. The gas-chromatography (GC) analysis revealed a sesquiterpene-rich profile, with β-himachalene (39.32%) as the major constituent, followed by α-Himachalene (16.76%) and γ-Himachalene (12.92%). The cytotoxicity studies, performed using Alamar Blue assay on normal HaCaT human keratinocytes and A375 human melanoma and HT-29 colorectal carcinoma cell lines, revealed that CAEO displayed minimal toxicity on HaCaT cells, while significantly reducing A735 and HT-29 cell viability, at any of the concentrations tested. The PEG- and Tween-based formulations of CAEO exhibited the same effect on cell viability as the simple water dispersion of CAEO. The immunofluorescence-based examination of cellular morphology suggested that CAEO induces apoptosis in both cancer cell lines: A375 and HT-29; this apoptosis-related mechanism was further supported by the caspase-3/7 assay, which revealed a significant increase in caspase-3/7 activity after CAEO treatment. To further investigate the underlying mechanism, the JC-1 staining and high-resolution respirometry assays demonstrated that CAEO induces mitochondrial membrane depolarization and reduced mitochondrial active respiration (OXPHOS). Molecular docking further indicated that isoledene and β-himachalene exhibit the highest predicted affinity for PI3Kγ, suggesting a potential involvement of PI3K-related signaling in the pro-apoptotic activity of CAEO. Together, these results suggest that CAEO induces apoptosis through a mitochondria-mediated mechanism. Full article

(This article belongs to the Special Issue Advances in Anticancer Activity of Natural Products and Related Compounds)

39 pages, 7389 KB

Open AccessReview

AI-Driven Enzyme Engineering: Emerging Models and Next-Generation Biotechnological Applications

by Mohd Faheem Khan and Mohd Tasleem Khan

Molecules 2026, 31(1), 45; https://doi.org/10.3390/molecules31010045 - 22 Dec 2025

Abstract

Enzyme engineering drives innovation in biotechnology, medicine, and industry, yet conventional approaches remain limited by labour-intensive workflows, high costs, and narrow sequence diversity. Artificial intelligence (AI) is revolutionising this field by enabling rapid, precise, and data-driven enzyme design. Machine learning and deep learning [...] Read more.

Enzyme engineering drives innovation in biotechnology, medicine, and industry, yet conventional approaches remain limited by labour-intensive workflows, high costs, and narrow sequence diversity. Artificial intelligence (AI) is revolutionising this field by enabling rapid, precise, and data-driven enzyme design. Machine learning and deep learning models such as AlphaFold2, RoseTTAFold, ProGen, and ESM-2 accurately predict enzyme structure, stability, and catalytic function, facilitating rational mutagenesis and optimisation. Generative models, including ProteinGAN and variational autoencoders, enable de novo sequence creation with customised activity, while reinforcement learning enhances mutation selection and functional prediction. Hybrid AI–experimental workflows combine predictive modelling with high-throughput screening, accelerating discovery and reducing experimental demand. These strategies have led to the development of synthetic “synzymes” capable of catalysing non-natural reactions, broadening applications in pharmaceuticals, biofuels, and environmental remediation. The integration of AI-based retrosynthesis and pathway modelling further advances metabolic and process optimisation. Together, these innovations signify a shift from empirical, trial-and-error methods to predictive, computationally guided design. The novelty of this work lies in presenting a unified synthesis of emerging AI methodologies that collectively define the next generation of enzyme engineering, enabling the creation of sustainable, efficient, and functionally versatile biocatalysts. Full article

(This article belongs to the Special Issue Modern Trends of Biocatalysis in Organic Chemistry and Enzyme Engineering—3rd Edition)

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28 pages, 3158 KB

Open AccessReview

Phytochemistry, Bioactivity, and Toxicological Duality of Oxytropis glabra DC: A Review

by Karlygash Raganina, Akerke Amirkhanova, Sholpan Akhelova, Aiman Berdgaleyeva, Meruyert Amantayeva, Elmira Kartbayeva, Aigul Kaldybayeva, Madi Nurlybayev, Yerbol Ikhsanov, Nurzhan Iztileu, Zhanserik Shynykul and Moldir Koilybayeva

Molecules 2026, 31(1), 44; https://doi.org/10.3390/molecules31010044 - 22 Dec 2025

Abstract

Oxytropis glabra DC, a Fabaceae species distributed across Central Asia, is characterized by a dual biological profile encompassing pronounced toxicity alongside promising pharmacological potential. This review synthesizes current knowledge on its phytochemistry, bioactivity, and toxicological liabilities to clarify the plant’s risk–benefit landscape. The [...] Read more.

Oxytropis glabra DC, a Fabaceae species distributed across Central Asia, is characterized by a dual biological profile encompassing pronounced toxicity alongside promising pharmacological potential. This review synthesizes current knowledge on its phytochemistry, bioactivity, and toxicological liabilities to clarify the plant’s risk–benefit landscape. The objectives are to summarize the dominant classes of metabolites identified in O. glabra, evaluate their toxicological and therapeutic relevance, and identify key gaps limiting translational research. O. glabra contains a diverse array of secondary metabolites, with quinolizidine and indolizidine alkaloids, including swainsonine, anagyrine, thermopsine, and sparteine, representing the primary determinants of toxicity. These compounds are associated with teratogenicity, neurotoxicity, and locoism through mechanisms involving α-mannosidase inhibition, disruption of glycoprotein processing, and impaired lysosomal homeostasis. In contrast, flavonoids such as quercetin, isoquercitrin, and kaempferol derivatives exhibit antioxidant, anti-inflammatory, hepatoprotective, and cardioprotective effects, while triterpenoid saponins and fatty acids contribute additional cytoprotective and metabolic activities. Despite extensive reports on both toxic and bioactive constituents, critical gaps remain regarding chemotype variability, dose–response relationships, and pharmacokinetics, which currently constrain therapeutic exploitation. Future research should prioritize defining safe exposure thresholds, elucidating structure–activity relationships, and developing standardized extracts or optimized derivatives that balance efficacy and safety. This integrative perspective highlights O. glabra as a chemically rich but biologically ambivalent species whose toxicological risks and pharmacological opportunities warrant systematic mechanistic investigation. Full article

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

25 pages, 704 KB

Open AccessReview

Health Problems with Mycotoxins in Cattle—A Review

by Lidia Radko, Katarzyna Dudek, Paula Żakowicz, Sebastian Smulski and Roland Kozdrowski

Molecules 2026, 31(1), 43; https://doi.org/10.3390/molecules31010043 - 22 Dec 2025

Abstract

Mycotoxins are toxic compounds produced by certain types of fungi that can contaminate animal feed. Cattle may be exposed to these toxins through contaminated feed sources such as cereal grains (e.g., corn, barley), silage, hay, and other roughages, where aflatoxins, fumonisins, T-2 toxins, [...] Read more.

Mycotoxins are toxic compounds produced by certain types of fungi that can contaminate animal feed. Cattle may be exposed to these toxins through contaminated feed sources such as cereal grains (e.g., corn, barley), silage, hay, and other roughages, where aflatoxins, fumonisins, T-2 toxins, zearalenone, deoxynivalenol, ochratoxins, and emerging mycotoxins are most commonly found. Cattle are generally less sensitive to mycotoxins, mainly due to detoxification processes occurring in the rumen. The rumen plays a key role in the degradation or transformation of mycotoxins through the activity of ruminal microorganisms and enzymes before these toxins are absorbed into the bloodstream. However, despite this natural defense, mycotoxins have been shown to impact ruminant health. This article aimed to analyze the literature on the negative effects of mycotoxin exposure on cattle health. In January 2025, a systematic search of various databases (PubMed, Google Scholar, EMBASE, and Web of Science) was conducted in Google Chrome to identify studies assessing the association between mycotoxin exposure and health complications in cattle. Symptoms of mycotoxin poisoning are nonspecific and include metabolic and hormonal imbalances, inflammatory conditions, weakened immune response, digestive disorders, reduced productivity, and reproductive issues. These toxins may also compromise the safety of the food chain, including the quality of milk and meat products. Due to the increasing risk of mycotoxin contamination in feed, a comprehensive approach to feed management is essential. This includes regular monitoring, proper storage of raw materials, and the use of plant protection products that minimize the risk of contamination. Full article

22 pages, 1888 KB

Open AccessArticle

Application of Gaseous Ozone to Enhance Quality and Microbiological Safety of Strawberries

by Miłosz Zardzewiały, Oskar Basara, Ireneusz Kapusta, Maciej Balawejder and Józef Gorzelany

Molecules 2026, 31(1), 42; https://doi.org/10.3390/molecules31010042 - 22 Dec 2025

Abstract

Ozonation represents one of the most promising non-thermal methods for enhancing the quality and storage safety of fresh fruits. In this study, the effects of gaseous ozone fumigation at different concentrations (10 and 50 ppm) and exposure times (10 and 20 min) on [...] Read more.

Ozonation represents one of the most promising non-thermal methods for enhancing the quality and storage safety of fresh fruits. In this study, the effects of gaseous ozone fumigation at different concentrations (10 and 50 ppm) and exposure times (10 and 20 min) on selected physicochemical and microbiological properties of strawberries during 7-day refrigerated storage were evaluated. Water content, mechanical properties, the profile and content of bioactive compounds (polyphenols, vitamin C), and antioxidant activity, as well as microbial counts and the dynamics of CO₂ and ethylene production, were assessed. The results demonstrated that ozonation reduced water loss and slowed metabolic processes and fruit ripening, as indicated by lower CO₂ and ethylene levels compared to the control. The application of ozone, particularly at the higher dose (50 ppm), contributed to maintaining higher vitamin C content and antioxidant activity and significantly reduced the number of mesophilic bacteria, yeasts, and molds, achieving reductions of approximately 1.86 log and 0.97 log on Day 7 compared with the untreated control, respectively. No adverse effects of ozonation on the mechanical properties of the fruit were observed. The findings confirm the relevance of gaseous ozone as a quality-enhancing elicitor and an effective tool for reducing microbiological contamination of fresh strawberries without compromising their properties. 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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19 pages, 3189 KB

Open AccessReview

Electron Paramagnetic Resonance Spectroscopy to Evaluate the Oxidative Stability of Beer, Wine, and Oils

by Michele Segantini, Angela Fadda and Daniele Sanna

Molecules 2026, 31(1), 41; https://doi.org/10.3390/molecules31010041 - 22 Dec 2025

Abstract

Oxidative stability plays an important role in determining the quality of oxidation-sensitive foods and beverages such as beer, wine, and edible oils. Oxidation occurs through radical chain reactions producing off-flavors and leading to deterioration and decrease in the quality and nutritional value of [...] Read more.

Oxidative stability plays an important role in determining the quality of oxidation-sensitive foods and beverages such as beer, wine, and edible oils. Oxidation occurs through radical chain reactions producing off-flavors and leading to deterioration and decrease in the quality and nutritional value of food and beverages. In this context, electron paramagnetic resonance (EPR) spectroscopy has emerged as a powerful and selective technique for investigating reactions involving paramagnetic species, particularly free radicals and transition metal ions. This review provides a critical overview of the applications of EPR spectroscopy in the study of the oxidative stability and antioxidant activity of the above-mentioned matrices. It highlights the main methodological approaches that this technique can offer to gain insight into oxidative processes. Furthermore, current advances in low-cost and portable EPR instrumentation are discussed, along with their implications for broader adoption in both research and industry settings. The aim is to provide an up-to-date literature survey on the application of EPR spectroscopy for studying the oxidative stability and antioxidant activity of beer, wine, and edible oils, providing a methodological tool for academic and food industry researchers interested in monitoring, improving, and extending food shelf life through reliable analytical tools. Full article

(This article belongs to the Special Issue Applications of EPR Spectroscopy in Various Fields of Scientific Research)

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19 pages, 9881 KB

Open AccessArticle

CaS:Mn_1-xPb_x Luminescent Material Production from Phosphogypsum

by Zlatislava D. Khliyan, Nina P. Shabelskaya, Oleg A. Medennikov, Marina A. Egorova, Darya V. Yakhonova, Galina N. Zemchenko, Yuliya A. Gaidukova, Vera A. Baranova, Asatullo M. Radjabov and Angelika V. Serik

Molecules 2026, 31(1), 40; https://doi.org/10.3390/molecules31010040 - 22 Dec 2025

Abstract

This paper explores the feasibility of producing manganese- and lead-doped luminescent materials from phosphogypsum. For the first time, orange- and red-emitting ultraviolet pigments were obtained using a sulfide matrix reduced from phosphogypsum. The resulting materials were characterized using X-ray diffraction (XRD), transmission electron [...] Read more.

This paper explores the feasibility of producing manganese- and lead-doped luminescent materials from phosphogypsum. For the first time, orange- and red-emitting ultraviolet pigments were obtained using a sulfide matrix reduced from phosphogypsum. The resulting materials were characterized using X-ray diffraction (XRD), transmission electron microscopy, Fourier transform infrared spectroscopy, elemental analysis, and X-ray photoelectron spectroscopy (XPS). Doping with manganese or lead cations is shown to produce luminophores whose luminescence shifts from orange to red–orange under UV radiation as lead cations replace manganese cations in the CaS:Mn_1-xPb_x solid solution. A sharp increase in red luminescence intensity was observed for CaS: Mn luminophores when they were irradiated with short-wavelength ultraviolet radiation. These results open up broad possibilities for using phosphogypsum, a high production volume (HPV) chemical waste product, to produce highly innovative products. Full article

(This article belongs to the Special Issue Advances in Dyes and Photochromics)

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17 pages, 4476 KB

Open AccessArticle

Tailoring PLA/Gelatin Film Properties for Food Packaging Using Deep Eutectic Solvents

by M. Cidália R. Castro, João Pereira, Mara Pires André, Pedro Pereira, Vasco Cruz, Pedro Veiga Rodrigues and Ana Vera Machado

Molecules 2026, 31(1), 39; https://doi.org/10.3390/molecules31010039 - 22 Dec 2025

Abstract

This work investigates the modification of poly(lactic acid) (PLA) film properties for food packaging applications through the incorporation of modified gelatin (Gel-mod) and a choline chloride/glycerol deep eutectic solvent (DES). PLA/Gel-mod/DES materials were melt-processed and evaluated with respect to structure, morphology, thermal and [...] Read more.

This work investigates the modification of poly(lactic acid) (PLA) film properties for food packaging applications through the incorporation of modified gelatin (Gel-mod) and a choline chloride/glycerol deep eutectic solvent (DES). PLA/Gel-mod/DES materials were melt-processed and evaluated with respect to structure, morphology, thermal and mechanical behavior, processability, wettability, barrier performance, and compostability. Two incorporation routes were investigated for adding Gel-mod into the PLA matrix: direct incorporation and masterbatch preparation. FTIR and SEM analyses confirmed improved interfacial interactions and more homogeneous dispersion when Gel-mod was directly incorporated, compared with the masterbatch route. DES acted as an effective plasticizer and nucleating agent, reducing Tg, increasing crystallinity, and enhancing processability while maintaining thermal stability. Mechanical properties decreased relative to neat PLA, primarily due to increased crystallinity and chain scission. PLA_4Gel-mod demonstrated a more balanced performance, with higher elongation at break and improved processability than the other formulations, likely due to its single processing cycle, which minimized PLA degradation. Increased hydrophilicity led to higher water vapor transmission rates, correlating with accelerated biodegradation. Overall, the synergistic incorporation of DES and gelatin provides a viable strategy to tailor PLA properties, enabling the development of compostable packaging films suitable for sustainable food contact applications. Full article

(This article belongs to the Special Issue Development of Food Packaging Materials, 2nd Edition)

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