Molecules

42 pages, 4403 KB

Open AccessReview

A Review of Catalysts for Hydrogen Production from Methanol

by Eun Duck Park

Molecules 2026, 31(8), 1345; https://doi.org/10.3390/molecules31081345 (registering DOI) - 19 Apr 2026

Methanol is the simplest C1 oxygenated compound possessing the highest hydrogen-to-carbon ratio and can therefore be used as an effective hydrogen carrier. Furthermore, it can be easily transported by land and sea because it is liquid at room temperature and atmospheric pressure. Methanol [...] Read more.

Methanol is the simplest C1 oxygenated compound possessing the highest hydrogen-to-carbon ratio and can therefore be used as an effective hydrogen carrier. Furthermore, it can be easily transported by land and sea because it is liquid at room temperature and atmospheric pressure. Methanol can be converted into hydrogen via methanol steam reforming (MSR), aqueous-phase reforming of methanol (APRM), or aqueous methanol dehydrogenation (AMDH). In this review, various catalysts for MSR, APRM, and AMDH are summarized. Highly active and stable catalysts that can operate under low steam-to-methanol ratios are needed to increase the economics of the MSR process. Compared with the MSR process, the APRM process is rather simple because the water–gas shift reaction can occur simultaneously; however, more constraints exist in the selection of active metals and supports to ensure high activity and stability under APRM conditions. The inherently low reaction rate compared to MSR and the structural vulnerability of the catalyst under severe hydrothermal conditions are obstacles that the APRM catalysts must overcome. The low intrinsic catalytic activity and the high cost of homogeneous catalysts represent fundamental limitations inherent to AMDH catalysts. Based on a literature survey of MSR, APRM, and AMDH catalysts, some future research directions are also discussed. Full article

(This article belongs to the Special Issue Advances in Heterogeneous Catalysis for Green Chemistry)

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28 pages, 1120 KB

Open AccessArticle

SO₂ Management and Yeast Inoculation Strategies (NoSO₂-Spont, NoSO₂Sc, SO₂Sc) During Fermentation Shape the Chemical, Polyphenolic, Microbiological, and Sensory Profiles of ‘Solaris’ White Wine

by Magdalena Błaszak, Ireneusz Ochmian, Ireneusz Kapusta and Sabina Lachowicz-Wiśniewska

Molecules 2026, 31(8), 1344; https://doi.org/10.3390/molecules31081344 (registering DOI) - 19 Apr 2026

Abstract

Consumer interest in low-SO₂ white wines is increasing; however, such approaches may reduce compositional and sensory predictability. This study evaluates how three fermentation strategies—SO₂ addition and Saccharomyces cerevisiae ES181 inoculation (SO₂Sc), spontaneous fermentation (NoSO₂-Spont), and inoculation with [...] Read more.

Consumer interest in low-SO₂ white wines is increasing; however, such approaches may reduce compositional and sensory predictability. This study evaluates how three fermentation strategies—SO₂ addition and Saccharomyces cerevisiae ES181 inoculation (SO₂Sc), spontaneous fermentation (NoSO₂-Spont), and inoculation with S. cerevisiae ES181 without SO₂ addition (NoSO₂Sc)—shape the chemical profile, polyphenolic composition, colour, microbiological status, and sensory perception of ‘Solaris’ wines relative to the must (reference). A single batch of ‘Solaris’ must (one press run) was split into three variants and fermented under identical temperature conditions (12 ± 0.5 °C), followed by cool ageing and natural sedimentation prior to bottling. Basic oenological parameters, selected fermentation by-products, viable yeast counts, CIE Lab colour, targeted polyphenolics (phenolic acids, flavonols, flavan-3-ols, and stilbenes), PCA of by-products, and blind sensory evaluation were assessed. The NoSO₂-Spont variant showed reduced fermentation completeness (higher residual sugars and lower ethanol) and the highest volatile acidity, together with elevated glycerol and several higher alcohols, and received the lowest sensory ratings. The SO₂Sc variant yielded the most controlled outcome, with the lowest volatile acidity, the brightest colour (higher L*, lower b*), and the highest sensory acceptance. The NoSO₂Sc variant produced intermediate sensory scores and a higher total phenolic content; however, volatile acidity remained high and viable yeast counts were the greatest, indicating increased susceptibility to microbiological activity during extended pre-bottling handling. Overall, the SO₂Sc strategy provides the greatest chemical stability and sensory acceptance, whereas low-SO₂ regimes require a hurdle approach (oxygen control, residual sugar management, hygiene, and stabilisation) to limit spoilage development and post-bottling refermentation. Full article

(This article belongs to the Special Issue Bioactive Food Compounds and Their Health Benefits)

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18 pages, 7588 KB

Open AccessArticle

Network Silsesquioxane-Based Organogel/Silicone Composites for the Long-Lasting Delivery of Nitric Oxide

by Kyle D. Hallowell, Fatima Naser Aldine, Hope N. Vonder Brink, Ashley K. Mockensturm, Hitesh Handa, Elizabeth J. Brisbois, Alexis D. Ostrowski and Joseph C. Furgal

Molecules 2026, 31(8), 1343; https://doi.org/10.3390/molecules31081343 (registering DOI) - 19 Apr 2026

Abstract

Nitric oxide (NO) is a gaseous biocompatible radical molecule with demonstrated biomedical and antimicrobial benefits. Developing adaptable, long-lasting delivery systems for NO has become an essential goal for both combating resistant bacterial growth and providing sustained medical benefits. Silsesquioxane (SQ)-based organogels were chosen [...] Read more.

Nitric oxide (NO) is a gaseous biocompatible radical molecule with demonstrated biomedical and antimicrobial benefits. Developing adaptable, long-lasting delivery systems for NO has become an essential goal for both combating resistant bacterial growth and providing sustained medical benefits. Silsesquioxane (SQ)-based organogels were chosen and synthesized as robust, tunable NO-release platforms. These highly stable SQ gel frameworks, composed of silicon–oxygen backbones with variable R groups, exhibited high porosity and surface area and offered chemical versatility, enabling control over NO loading and release. 3-Mercaptopropyl groups were utilized as sulfur-based NO-releasing substituents (-RSNOs), with additional R groups capable of altering accessibility to RSNO sites through hydrophobicity and steric hindrance. The NO release profile, rate, and duration of the functionalized gels were also tailored by adjusting the number of RSNO sites in the elastomeric system, thereby enabling a customizable release profile. This combination of NO-releasing silsesquioxanes with silicone elastomers yields composite materials that are integratable into biomedical applications, offering NO release up to 40 days within modeled physiological conditions in PBS buffer. Full article

(This article belongs to the Special Issue Synthesis and Characterization of Hybrid Biomaterials for Life Sciences)

15 pages, 2774 KB

Open AccessArticle

High-Sensitivity Terahertz Time-Domain Spectroscopic Characterization of the Thermal Evolution of Hydrated Copper Sulfate

by Yuqiu Jiao, Xinyu Li, Yuqi Zhang, Qingying Xie and Yuhong Xia

Molecules 2026, 31(8), 1342; https://doi.org/10.3390/molecules31081342 (registering DOI) - 19 Apr 2026

Abstract

To elucidate the influence of water on terahertz (THz) spectral responses, terahertz time-domain spectroscopy (THz-TDS) was employed to monitor the thermal decomposition of copper(II) sulfate pentahydrate in this study. Continuous dehydration of the hydrate induces pronounced variations in the THz signal. At the [...] Read more.

To elucidate the influence of water on terahertz (THz) spectral responses, terahertz time-domain spectroscopy (THz-TDS) was employed to monitor the thermal decomposition of copper(II) sulfate pentahydrate in this study. Continuous dehydration of the hydrate induces pronounced variations in the THz signal. At the initial stage of thermal decomposition, these changes primarily originate from the evolving state and amount of water confined within the CuSO₄·5H₂O lattice. After detaching from the crystalline framework, the released water molecules do not evaporate immediately; instead, they transiently reside near the copper sulfate as free water. When the temperature reaches approximately 60 °C, a dynamic equilibrium is established between crystalline water and free water. The THz spectral data reveal that the sample exhibits its strongest THz absorption at this temperature. Consequently, the THz signal during decomposition displays a characteristic trend: an initial decrease followed by an enhancement. These findings demonstrate that THz-TDS represents a promising approach for probing the state and content of water, thereby contributing to the development of a powerful analytical tool for fundamental studies in mineralogy. Full article

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

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85 pages, 6764 KB

Open AccessReview

The Dual Role of Connexins in Stroke, Neurotrauma, Neurodegenerative and Psychiatric Disorders: A Global Systematic Review

by Stanislav Rodkin, Mitkhat Gasanov, Alexander Tushev, Elena Belousova, Yulia Gordeeva, Chizaram Nwosu and Anastasia Tolmacheva

Molecules 2026, 31(8), 1341; https://doi.org/10.3390/molecules31081341 (registering DOI) - 19 Apr 2026

Abstract

Background: Connexins (Cx) are a family of transmembrane proteins that form gap junctions and connexin hemichannels (HCs), enabling direct intercellular communication within the nervous system. Connexin 43 (Cx43), the principal astrocytic connexin, exhibits a context-dependent dual role: under physiological conditions it maintains [...] Read more.

Background: Connexins (Cx) are a family of transmembrane proteins that form gap junctions and connexin hemichannels (HCs), enabling direct intercellular communication within the nervous system. Connexin 43 (Cx43), the principal astrocytic connexin, exhibits a context-dependent dual role: under physiological conditions it maintains tissue homeostasis and metabolic support, whereas under pathological conditions excessive activation of Cx43 hemichannels promotes neuroinflammation, excitotoxicity, blood–brain barrier disruption, and secondary neural tissue damage. Other connexin isoforms also contribute to the pathogenesis of neurological and psychiatric disorders through alterations in neuronal synchronization, glial signaling, and myelin integrity. Objective: To systematize current evidence on the role of key connexin isoforms in acute nervous system injuries—including stroke, traumatic brain injury, spinal cord injury, and peripheral nerve injury—as well as chronic disorders such as neurodegenerative diseases, epilepsy, and psychiatric disorders, with particular emphasis on the functional duality of connexin channels and the therapeutic potential of their selective modulation. Methods: A systematic literature search was conducted in the PubMed, Scopus, and Web of Science databases in accordance with the PRISMA framework and the PRISMA Extension for Scoping Reviews guidelines. The review included data from experimental models, postmortem brain studies, genetic association analyses, and pharmacological intervention studies. The retrieved studies were screened, assessed for eligibility, and integrated using a qualitative narrative synthesis approach. Results: In acute neural injuries, hyperactivation of Cx43 hemichannels amplifies inflammatory signaling, edema formation, and neuronal death, whereas selective HCs inhibitors reduce lesion volume and improve functional outcomes in experimental models. Connexin 36 (Cx36) contributes to cortical spreading depolarization and seizure propagation, while Connexin 32 (Cx32) and Connexin 47 (Cx47) are critically involved in oligodendrocyte function and white-matter demyelination. In PNI, Cx43 upregulation contributes to neuropathic pain, whereas mutations in Cx32 cause hereditary demyelinating neuropathies. In neurodegenerative diseases—including Alzheimer’s disease, Parkinson’s disease, and amyotrophic lateral sclerosis—Cx43 hemichannel activity promotes neuroinflammation and pathological protein accumulation, while reduced Cx32/Cx47 expression disrupts metabolic support of axons. In psychiatric disorders such as major depressive disorder, bipolar disorder, and schizophrenia, decreased astrocytic connexin expression (Cx43 and Cx30) has been associated with impaired glial–neuronal communication and cognitive–emotional dysfunction. In epilepsy, increased Cx43/Cx30 expression contributes to neuronal hypersynchronization and blood–brain barrier dysfunction, whereas selective hemichannel blockade suppresses seizure activity. Conclusions: Cx—particularly Cx43—occupies a central position in the molecular mechanisms of secondary neural injury and network dysfunction. The dual functional properties of gap junctions and hemichannels determine their context-dependent effects across neurological and psychiatric diseases. Selective inhibition of pathological HCs activity shows significant neuroprotective and anticonvulsant potential and represents a promising direction for the development of targeted therapeutic strategies. Further studies are required to determine optimal therapeutic time windows, tissue-specific effects, and the long-term safety of Cx modulation. Full article

(This article belongs to the Special Issue Small Molecule Drug Discovery and Development to Face Neurodegenerative Threats)

15 pages, 525 KB

Open AccessArticle

Sustainable Synthesis of Novel Hydroxylated Tranilast Analogues and Their Bioactivities

by Angela Maione, Marianna Imparato, Luigi Cirillo, Marco Guida, Emilia Galdiero, Armando Zarrelli and Luigi Longobardo

Molecules 2026, 31(8), 1340; https://doi.org/10.3390/molecules31081340 (registering DOI) - 19 Apr 2026

Abstract

Tranilast, an anti-allergic drug with well-established anti-inflammatory, antifibrotic, and antiproliferative properties, suffers from poor water solubility and low bioavailability, which limit its therapeutic potential. To improve its pharmacological profile, we designed and synthesized a novel series of hydroxylated Tranilast analogues. The compounds were [...] Read more.

Tranilast, an anti-allergic drug with well-established anti-inflammatory, antifibrotic, and antiproliferative properties, suffers from poor water solubility and low bioavailability, which limit its therapeutic potential. To improve its pharmacological profile, we designed and synthesized a novel series of hydroxylated Tranilast analogues. The compounds were obtained through a green, single-step coupling reaction between activated methoxy-substituted hydroxycinnamic acids and anthranilic or hydroxyanthranilic acids, using a triethylamine–isobutyl chloroformate system in environmentally friendly solvents. Fifteen derivatives were isolated in good to excellent yields (63–94%) without chromatographic purification. The synthesized compounds were evaluated for antimicrobial, antioxidant, anti-inflammatory, and antiproliferative activities. Several analogues displayed notable antimicrobial effects against Candida albicans, Staphylococcus aureus, and Klebsiella pneumoniae, with minimum inhibitory concentrations as low as 75 µg/mL. Hydroxylated derivatives showed enhanced radical-scavenging activity in DPPH and ABTS assays compared with Tranilast. Selected compounds also demonstrated suggestive antiproliferative effects against LNCaP prostate cancer cells while maintaining low cytotoxicity toward HaCaT keratinocytes, indicating favourable selectivity. Furthermore, some derivatives significantly reduced nitric oxide production in LPS-stimulated HaCaT cells, confirming their anti-inflammatory potential. Overall, hydroxylation proves to be an effective strategy for improving the biological profile of Tranilast, yielding promising candidates for further pharmacological development. Full article

(This article belongs to the Section Organic Chemistry)

26 pages, 1172 KB

Open AccessReview

Diagnostic Potential of Exosomes in Colorectal Cancer: Current Advances and Future Perspectives

by Kinga Suska, Marcin Piotrowski, Damian Jacenik and Jakub Fichna

Molecules 2026, 31(8), 1339; https://doi.org/10.3390/molecules31081339 (registering DOI) - 19 Apr 2026

Abstract

Colorectal cancer (CRC) remains one of the leading causes of cancer-related mortality worldwide and is frequently diagnosed at an advanced stage due to limitations of current screening methods. Although surgical resection is the standard treatment, conventional tissue biopsies are invasive and restrict real-time [...] Read more.

Colorectal cancer (CRC) remains one of the leading causes of cancer-related mortality worldwide and is frequently diagnosed at an advanced stage due to limitations of current screening methods. Although surgical resection is the standard treatment, conventional tissue biopsies are invasive and restrict real-time assessment of tumor dynamics. Liquid biopsy has emerged as a promising noninvasive approach enabling repeated analysis of tumor-derived components in body fluids. Among these, exosomes have gained considerable attention as potential diagnostic biomarkers in CRC. This review summarizes current evidence on exosome biogenesis, molecular composition, and their diagnostic relevance in colorectal cancer. We discuss exosomal nucleic acids, proteins, and lipids as biomarkers detectable in patient samples, as well as analytical platforms used for their isolation and characterization, including ultracentrifugation-based methods, size-exclusion chromatography, nanoparticle tracking analysis, electron microscopy, proteomics, lipidomics, and sequencing approaches. Accumulating data demonstrate that exosomal microRNAs, long non-coding RNAs, proteins, and lipid signatures correlate with tumor progression, immune modulation, angiogenesis, and epithelial–mesenchymal transition. Advances in microfluidic technologies, Raman/SERS spectroscopy, and AI-based data analysis are contributing to further improvements in diagnostic sensitivity and reproducibility. Despite their potential, the lack of standard isolation and validation protocols remains a major obstacle to clinical implementation, highlighting the need for large-scale multicenter studies before exosome biomarkers can be routinely used in CRC diagnostics. Full article

(This article belongs to the Special Issue Discovery and Development of Anti-Cancer Drugs: From Signalling Pathways to Molecular Mechanisms)

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17 pages, 3593 KB

Open AccessArticle

New In Situ Amphipathic Polymerization-Modified Titanium Quantum Dots: Application as a High-Performance Water-Lock-Breaking Agent in Tight Gas Reservoirs

by Haibo Li, Hongxing Xu, Lei Yue, Yining Zhou, Yanhong Li, Kongjie Wang, Changzhou Tao, Boli Yang, Long Chai and Haihong Feng

Molecules 2026, 31(8), 1338; https://doi.org/10.3390/molecules31081338 (registering DOI) - 19 Apr 2026

Abstract

In this paper, to remove the water lock effect in tight gas reservoirs, amphipathic polymer-modified titanium quantum dots (PTQs) were synthesized via in situ polymerization, showing a hyper-branched structure and an excellent synergistic effect with the nonionic fluorocarbon surfactant to break the water [...] Read more.

In this paper, to remove the water lock effect in tight gas reservoirs, amphipathic polymer-modified titanium quantum dots (PTQs) were synthesized via in situ polymerization, showing a hyper-branched structure and an excellent synergistic effect with the nonionic fluorocarbon surfactant to break the water lock. The molecular structure, fluorescent property, and micromorphology of the PTQs were obtained. The surface activity and wettability alteration of rock are discussed. Results show that PTQs have zwitterionic hydrophilic groups and the hydrophobic structure of long-chain groups on their molecular structure. PTQ fluid, with a median particle size of 3.6 nm, showed strong green fluorescence and had excellent dispersibility in 50,000 mg/L of standard saline fluid at 120 °C. Additionally, the surface tension decreased to 18.6 mN/m at a PTQ concentration of 0.08%. At a 0.1% concentration, PTQ fluid altered the water wettability of tight sandstone to 67.2°, which resulted in lower capillary resistance. Furthermore, the surfactant (PHPE) had a good synergistic effect with the PTQs to decrease surface tension and alter the wettability of the sandstone surface, leading to lower surface tension and significant amphiphobicity. The strong surface activity of PTQs results from their specific molecular structure, which enables electrostatic attraction, quantum size effects, hydrogen bonding, and van der Waals forces between the inter-polar molecules of PTQs and the surface of sandstone to forcefully eliminate the water lock effect. This study offers key guidance for the development of a high-performance water-lock-breaking agent and application of titanium quantum dots in tight gas reservoirs. Full article

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11 pages, 5716 KB

Open AccessArticle

A High-Potential Phenoxazine Sulfonate Posolyte for Aqueous Zinc–Organic Flow Batteries

by Guibao Wu, Linjing Miao, Mengna Qin, Qun Chen, Xiaofei Yu, Haiguang Gao, Juan Xu and Jianyu Cao

Molecules 2026, 31(8), 1337; https://doi.org/10.3390/molecules31081337 (registering DOI) - 19 Apr 2026

Abstract

Aqueous redox flow batteries (ARFBs) are a promising solution for large-scale energy storage; however, the development of organic posolytes that combine high redox potential with long-term stability remains a significant hurdle. This study introduces sodium 3-(10H-phenoxazin-10-yl)propane-1-sulfonate (POZS), a novel sulfonate-functionalized phenoxazine derivative designed [...] Read more.

Aqueous redox flow batteries (ARFBs) are a promising solution for large-scale energy storage; however, the development of organic posolytes that combine high redox potential with long-term stability remains a significant hurdle. This study introduces sodium 3-(10H-phenoxazin-10-yl)propane-1-sulfonate (POZS), a novel sulfonate-functionalized phenoxazine derivative designed to overcome these limitations. By incorporating hydrophilic anionic sulfonic groups, this molecular engineering strategy enhances the structural stability of redox-active phenoxazine materials. Although POZS shows limited solubility in pure water, its solubility increases to 0.98 M (equivalent to a charge capacity of 26.3 Ah L⁻¹) upon the addition of 1.5 M tetraethylammonium chloride (TEAC). This enhancement suggests that the supporting electrolyte optimizes the ionic environment and mitigates intermolecular aggregation, thereby facilitating higher active species concentration. Electrochemical characterization of POZS reveals a highly positive redox potential of 1.51 V (vs. Zn/Zn²⁺) and rapid electron transfer kinetics (2.02 × 10⁻² cm s⁻¹). When tested in a zinc-based hybrid flow cell, the POZS posolyte demonstrates excellent rate capability (up to 50 mA cm⁻²) and a temporal capacity fade rate of 0.335% per hour over 500 cycles—a nearly five-fold improvement over previously reported quaternized phenoxazines. Post-cycling analyses indicate that while the phenoxazine core remains susceptible to nucleophilic ring substitution, the pendant sulfonate groups ensure that any resulting byproducts remain soluble, preventing the catastrophic depletion typically caused by the precipitation of degraded active species. These findings establish a robust molecular framework for the design of high-potential, durable organic posolytes for sustainable energy storage systems. Full article

(This article belongs to the Section Electrochemistry)

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23 pages, 2798 KB

Open AccessArticle

Thermal Behavior, Density and Viscosity of Terpene-Based Hydrophobic Eutectic Solvent Systems with Alcohols and Carboxylic Acids: Comparison with Tetrabutylphosphonium Bromide (TBPBr)-Based Systems

by Jasmin Suljagić, Edita Bjelić, Mersiha Suljkanović, Snežana Papović, Janez Cerar and Milan Vraneš

Molecules 2026, 31(8), 1336; https://doi.org/10.3390/molecules31081336 (registering DOI) - 18 Apr 2026

Abstract

Hydrophobic eutectic solvent systems (ESSs) were prepared and characterized using temperature-dependent thermophysical and transport property measurements, supported by thermal analysis. The investigated systems comprise terpene-based mixtures, menthol:octanoic acid (1:2) and menthol:decanoic acid (1:1), and thymol-based mixtures, thymol:butanol (1:1), thymol:hexanol (1:1), thymol:octanoic acid (1:1), [...] Read more.

Hydrophobic eutectic solvent systems (ESSs) were prepared and characterized using temperature-dependent thermophysical and transport property measurements, supported by thermal analysis. The investigated systems comprise terpene-based mixtures, menthol:octanoic acid (1:2) and menthol:decanoic acid (1:1), and thymol-based mixtures, thymol:butanol (1:1), thymol:hexanol (1:1), thymol:octanoic acid (1:1), and thymol:oleic acid (1:1), as well as salt-containing ESSs based on tetrabutylphosphonium bromide (TBPBr), TBPBr:octanoic acid (1:1), and TBPBr:lauric acid (1:1). Density, dynamic viscosity, and electrical conductivity were measured at atmospheric pressure (p = 0.1 MPa) over 293.15–313.15 K. From density data, molar volumes and isobaric thermal expansion coefficients were calculated. The temperature dependence of viscosity was correlated with both Arrhenius and Vogel–Fulcher–Tammann equations. Conductivity results were used to compute molar conductivities, and the coupled conductivity–viscosity behavior was assessed via Walden analysis to quantify deviations from ideal electrolyte behavior and estimate ionicity. Thermal behavior and stability were evaluated by differential scanning calorimetry (DSC) and simultaneous thermogravimetric analysis (TG/DSC). The resulting dataset enables a consistent comparison of volumetric, flow, and ion transport descriptors across fully molecular terpene-based mixtures and TBPBr-containing systems. Overall, the combined transport descriptors, including Walden analysis, provide a practical framework for distinguishing molecular from salt-containing hydrophobic ESS families and support formulation selection for temperature-dependent applications, particularly in biphasic extraction processes. Full article

(This article belongs to the Section Molecular Liquids)

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26 pages, 3341 KB

Open AccessArticle

Investigating the Potential of By-Products from Clitoria and Borage Flower Infusions for Valorization: A Comparative Study

by Nesa Dibagar, Anna Michalska-Ciechanowska and Alicja Kucharska-Guzik

Molecules 2026, 31(8), 1335; https://doi.org/10.3390/molecules31081335 (registering DOI) - 18 Apr 2026

Abstract

This study evaluates the potential of marc, a by-product of clitoria (Clitoria ternatea L.) and borage (Borago officinalis L.) infusions, as a preliminary step toward their subsequent conversion into functional food ingredients. After infusion, the marc was collected and processed by [...] Read more.

This study evaluates the potential of marc, a by-product of clitoria (Clitoria ternatea L.) and borage (Borago officinalis L.) infusions, as a preliminary step toward their subsequent conversion into functional food ingredients. After infusion, the marc was collected and processed by carrier-assisted crushing, aqueous maceration, and subsequent separation into extract and residue fractions. The impact of flower pretreatment by milling and marc matrix modification by inulin and maltodextrin was studied on the physical (dry matter (DM), water activity, color), chemical (total phenolic content (TPC), sum of individual phenolic compounds, and antioxidant capacity), and solubility of the microencapsulated fractions. Inulin-formulated powders derived from intact flowers’ marc were characterized by higher dry matter, decreased water activity, and improved chemical profiles. Under these conditions, clitoria by-products exhibited mean dry matter 94.17 ± 0.20%, water activity 0.301 ± 0.003, TPC 3.285 ± 0.052 mg GAE/g DM, sum of individual phenolic compounds 6.267 ± 0.103 mg/g DM, and ABTS-determined antioxidant capacity 0.100 ± 0.001 mmol Trolox/g DM. For borage by-products under identical conditions, dry matter content (−1.60%), water activity (−12.62%), TPC (−39.82%), sum of individual phenolic compounds (−67.55%), and antioxidant capacity (−65.00%) were lower compared with clitoria by-products. An efficient extraction and stabilization approach can open opportunities for upcycling post-extraction herbal residues into high-value food ingredients. Full article

(This article belongs to the Topic Sustainable Food Processing: 2nd Edition)

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12 pages, 3743 KB

Open AccessCommunication

Atomistic Blueprinting of Electrochemical CO Reduction Reaction Pathways over Transition Metal Phosphides

by Muhammad Awais and Younes Abghoui

Molecules 2026, 31(8), 1334; https://doi.org/10.3390/molecules31081334 (registering DOI) - 18 Apr 2026

Abstract

Ecosystem disruption is a significant challenge of the contemporary age, arising from substantial CO₂/CO emissions resulting from dependence on fossil fuels as a primary energy source. Scholars across several fields are striving to mitigate these severe greenhouse gas emissions. The most [...] Read more.

Ecosystem disruption is a significant challenge of the contemporary age, arising from substantial CO₂/CO emissions resulting from dependence on fossil fuels as a primary energy source. Scholars across several fields are striving to mitigate these severe greenhouse gas emissions. The most promising method is to adsorb carbon and convert it into sustainable energy. We sought to diminish CO levels by electrocatalytic reduction using innovative catalytic surfaces, namely transition metal phosphides (TMPs). During this work, VP is recognized as a very effective surface for CO reduction and the synthesis of formaldehyde, methanol, and methane at −0.68 V. Further, hydrogen evolution reaction (HER) does not pose a challenge for any surface, despite all TMPs facilitating CO reduction. In summary, predictions derived from this density functional theory (DFT)-guided analysis provide experimentalists with insights to validate experiments and synthesize active catalysts for CO conversion and green energy generation. Full article

(This article belongs to the Special Issue Electrochemical Reduction of CO₂: From Fundamentals to Practical Catalysis)

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29 pages, 3145 KB

Open AccessArticle

Essential Oils from Pruning Residues of Lavandula angustifolia Mill. ‘Essence Purple’ and Helichrysum italicum (Roth) G.Don: Phytotoxic and Ecotoxicological Evaluation

by Paola Malaspina, Flavio Polito, Annarita La Neve, Vincenzo De Feo, Laura Cornara, Domenico Trombetta and Antonella Smeriglio

Molecules 2026, 31(8), 1333; https://doi.org/10.3390/molecules31081333 (registering DOI) - 18 Apr 2026

Abstract

Pruning residues from medicinal and aromatic plant cultivations represent an under-exploited biomass rich in bioactive metabolites. In this study, pruning by-products from Lavandula angustifolia Mill. ‘Essence Purple’ and Helichrysum italicum (Roth) G.Don were investigated as sources of essential oils (EOs) within a circular [...] Read more.

Pruning residues from medicinal and aromatic plant cultivations represent an under-exploited biomass rich in bioactive metabolites. In this study, pruning by-products from Lavandula angustifolia Mill. ‘Essence Purple’ and Helichrysum italicum (Roth) G.Don were investigated as sources of essential oils (EOs) within a circular economy perspective. Micromorphological analyses confirmed the presence of secretory glandular trichomes in the residual biomass. EOs were obtained by steam distillation (0.33% and 0.15% yield for lavender and helichrysum, respectively) and chemically characterized by GC-FID and GC-MS. A total of 51 and 55 compounds were identified, accounting for 99.68% and 99.57% of the total composition. The main constituents were τ-cadinol (23.09%) and linalyl acetate (14.07%) in lavender EO and γ-curcumene (15.47%) and eudesm-4(14)-en-11-ol (10.71%) in helichrysum EO. Pruning-derived EOs showed a higher sesquiterpene content than those from conventional plant organs, indicating a compositional shift. Phytotoxic assays on Hordeum vulgare, Raphanus sativus, Lolium multiflorum, and Sinapis alba revealed concentration-dependent effects, with a stronger inhibition of radicle elongation than seed germination. These concentrations should be interpreted as indicative of intrinsic phytotoxic potential under controlled conditions. Ecotoxicological tests showed no significant reduction in viability in Artemia salina, whereas concentration- and time-dependent immobilization was observed in Daphnia magna, highlighting species-specific sensitivity, likely related to differences in the uptake and membrane interactions of lipophilic compounds. These findings highlight pruning residues as a promising biomass for the recovery of bioactive phytocomplexes with potential applications in sustainable weed management, although further studies under agronomically relevant conditions and comprehensive environmental assessments are required to validate their practical applicability. Full article

(This article belongs to the Special Issue Circular Economy: Agri-Food Byproducts as Source of Bioactive Compounds, 2nd Edition)

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12 pages, 6639 KB

Open AccessArticle

Comprehensive Analysis of Exosomal microRNAs in Buffalo Milk Across the Early Postpartum Transition

by Jiazheng Zhu, Rongchun Huang, Pingbai Liu, Yuan Yang, Yue Zhang, Shengfei Yan, Gan Liang, Meiting Chen, Mengyuan Zhou, Guangsheng Qin and Qiang Fu

Molecules 2026, 31(8), 1332; https://doi.org/10.3390/molecules31081332 (registering DOI) - 18 Apr 2026

Abstract

Milk-derived exosomes (MDEs) are bioactive nanocarriers rich in microRNAs (miRNAs) that play critical roles in post-transcriptional regulation during neonatal development and immune adaptation. However, the dynamic changes in miRNA expression across lactation stages and their biological functions remain insufficiently explored. We hypothesized that [...] Read more.

Milk-derived exosomes (MDEs) are bioactive nanocarriers rich in microRNAs (miRNAs) that play critical roles in post-transcriptional regulation during neonatal development and immune adaptation. However, the dynamic changes in miRNA expression across lactation stages and their biological functions remain insufficiently explored. We hypothesized that the miRNA cargo of buffalo MDEs exhibits temporal specificity, thereby dynamically matching the immune requirements of the neonatal calves. Therefore, the present study aimed to systematically characterize the miRNA expression profiles of MDEs derived from colostrum, transitional milk, and mature milk. MDEs were isolated, purified using differential ultracentrifugation, and characterized via transmission electron microscopy, Western blotting, and nanoparticle-tracking analysis. A total of 370 miRNAs were identified in the MDEs, with 220 (59.5%) co-expressed across colostrum, transitional milk, and mature milk. Comparative analysis revealed that colostrum MDEs exhibited the greatest miRNA diversity. Expression patterns of miRNAs showed distinct stage-specific clustering as lactation progressed. Compared to mature milk, 100 differentially expressed miRNAs (DE-miRNAs) were identified in colostrum MDEs, including 39 upregulated and 61 downregulated miRNAs. Bioinformatics analyses indicated that predicted target genes were associated with transmembrane transport, immune response, cell development, and apoptosis. Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis identified pathways involved in immune regulation, inflammation, and apoptosis. Moreover, macrophages incubated with buffalo colostrum MDEs showed upregulation of proliferation-related genes and downregulation of pro-inflammatory factors, suggesting an anti-inflammatory effect through activation of the phosphoinositide 3-kinase-protein kinase B (PI3K-Akt) signaling pathway. These findings offer new insights into miRNA profiles of buffalo MDEs across the early postpartum transition and provide a preliminary basis for exploring immunomodulatory potential of buffalo MDEs. Full article

(This article belongs to the Special Issue Health Promoting Compounds in Milk and Dairy Products, 2nd Edition)

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24 pages, 2539 KB

Open AccessArticle

Electrocorticographic Changes and Neuronal Maturation in the Antidepressant-like and Anxiolytic Effects of Micro- orMacrodosing of Psilocybe cubensis Mushroom in Mice

by Flor Eréndira Sánchez-Cortés, Nelly Maritza Vega-Rivera, Raúl Escamilla-Orozco, David Martínez-Vargas, Alberto Hernandez-Leon, Ingrid Escamilla-Cervantes, Aylin R. Tabal-Robles, Martín Torres-Valencia, Leticia Romero-Bautista, María Eva González-Trujano and Erika Estrada-Camarena

Molecules 2026, 31(8), 1331; https://doi.org/10.3390/molecules31081331 (registering DOI) - 18 Apr 2026

Abstract

Mushroom use dates back to ancient times, and it currently remains significant among indigenous and urban populations as a medicinal option. Psilocybe species are suggested to modify emotions when administered in macro- or microdose form for the treatment of anxiety and depression, both [...] Read more.

Mushroom use dates back to ancient times, and it currently remains significant among indigenous and urban populations as a medicinal option. Psilocybe species are suggested to modify emotions when administered in macro- or microdose form for the treatment of anxiety and depression, both often affected by a delayed onset and adverse effects of current pharmacological therapy. The objective of this study was to evaluate the anxiolytic and/or antidepressant-like effects of P. cubensis mushroom aqueous extract (PcAE) microdosing in mice using open-field and rota-rod tests, followed by plus-maze or forced swimming tests. We also evaluated changes in neuronal activity and dendritic maturation using electrocorticography (ECoG) and immunohistochemical techniques. The outcomes were compared with an effective macrodose of PcAE and antidepressant fluoxetine (FLX). For this study, mice were grouped as follows: (1) vehicle, (2) acute, and (3) repeated (10 days) PcAE microdosing (1 µg/kg); (4) single PcAE macrodose (1 g/kg); and (5) acute and (6) repeated reference drug fluoxetine (FLX, 10 mg/kg).The anxiolytic and antidepressant-like effects using microdosing were similar to those observed with macrodoses of PcAE and FLX; significant dose- and/or time-dependent changes in the ECoG and dendritic maturation of hippocampus neurons were also observed, in addition to altered corticosterone levels. To conclude, P. cubensis mushroom promotes brain effects in mice after micro- and macrodosing, supporting its potential as a therapeutic alternative for mental health. Full article

(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)

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22 pages, 7690 KB

Open AccessArticle

Production of Chitosan-PVA Coated Vitamin E and Ephedrine Nanoparticles Using Electrospraying for the Treatment of Narcolepsy

by Asude Bilge Yakut, Ayse Betul Bingol, Busra Oktay, Fatih Ciftci, Cem Bulent Ustundag and Ahmet Akif Kızılkurtlu

Molecules 2026, 31(8), 1330; https://doi.org/10.3390/molecules31081330 (registering DOI) - 18 Apr 2026

Abstract

This study focuses on the production and characterization of polyvinyl alcohol (PVA)-chitosan (CS)-based nanoparticles loaded with vitamin E (VitE) and ephedrine (Ep) via electrospraying for intranasal drug delivery in narcolepsy treatment. The nanoparticles were successfully synthesized using optimized parameters (15.5 kV voltage, 0.3 [...] Read more.

This study focuses on the production and characterization of polyvinyl alcohol (PVA)-chitosan (CS)-based nanoparticles loaded with vitamin E (VitE) and ephedrine (Ep) via electrospraying for intranasal drug delivery in narcolepsy treatment. The nanoparticles were successfully synthesized using optimized parameters (15.5 kV voltage, 0.3 mL/h flow rate, 25 G needle size, and 14 cm distance). Scanning electron microscopy (SEM) analysis confirmed the formation of spherical particles with an average size of 350–500 nm, while energy-dispersive X-ray spectroscopy (EDS) mapping revealed a homogeneous elemental distribution with oxygen (51.74%), silicon (24.48%), carbon (6.47%), zinc (6.08%), and aluminum (3.82%). Fourier-transform infrared (FTIR) spectra demonstrated the successful encapsulation of VitE and Ep through characteristic peaks at 3285 cm⁻¹ (OH stretching), 1731 cm⁻¹ (C=O stretching), and 1086 cm⁻¹ (C-O-C stretching). In vitro drug release analysis indicated a controlled and sustained release profile, with cumulative VitE and Ep release reaching 78.6% and 84.3%, respectively, over 48 h in phosphate-buffered saline (PBS, pH 7.4). Antioxidant activity assessment using the DPPH assay confirmed an R² value of 18.84 µg/mL, demonstrating significant free radical scavenging potential. The antibacterial activity, tested via the disk diffusion method, exhibited inhibition zones of 18.31 ± 5.8 mm (E. coli) and 21.51 ± 1.57 mm (S. aureus), confirming strong antimicrobial properties. These findings suggest that the developed electrosprayed PVA/CS nanoparticles loaded with VitE and Ep offer a promising intranasal delivery system with enhanced bioavailability, controlled release, antioxidant capacity, and antibacterial properties, making them a viable candidate for narcolepsy treatment. Full article

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

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14 pages, 3206 KB

Open AccessArticle

Functional Characterization and Mutagenesis Studies of a Microbial-like Diterpene Synthase from Huperzia serrata

by Ting He, Yao Zhao, Xin Li, Bao Chen, Fangyan Chen and Baofu Xu

Molecules 2026, 31(8), 1329; https://doi.org/10.3390/molecules31081329 (registering DOI) - 17 Apr 2026

Abstract

Over the past decade, an increasing number of functional microbial-like terpene synthases (MTPSLs) have been reported in non-seed plants. However, whether the traditional Chinese medicinal plant H. serrata harbors such enzymes and their corresponding functions remains unexplored. In this study, we mined the [...] Read more.

Over the past decade, an increasing number of functional microbial-like terpene synthases (MTPSLs) have been reported in non-seed plants. However, whether the traditional Chinese medicinal plant H. serrata harbors such enzymes and their corresponding functions remains unexplored. In this study, we mined the transcriptome of H. serrata and identified a microbial-like terpene synthase, HsMTPSL1, which produces multiple diterpene products. Following isolation and structural elucidation, seven distinct compounds were obtained, representing three skeletal types: spatane, prenylkelsoene-type, and biflorane. Among these, compound 7 is a novel biflorane diterpene. Structural analysis and subsequent mutagenesis revealed critical residues governing the formation of distinct skeletons, uncovering the multifunctional nature of this enzyme. Notably, the S224A mutation significantly enhanced the production of spatane diterpene compound 1 by 11.6-fold, demonstrating the potential for protein engineering to improve the yield of this bioactive marine-specific diterpene. Transcriptomic profiling revealed that HsMTPSL1 is highly expressed in sporangia, and co-expression analysis with cytochrome P450s identified the CYP781 subfamily as candidates potentially involved in the downstream modification of these skeletons. Collectively, we report the first MTPSL from H. serrata and characterize it as a multifunctional diterpene synthase. Through structure-guided mutagenesis, we uncovered the molecular basis of its functional versatility, with the S224A mutation providing a powerful tool for enhancing the yields of all three diterpene skeletons, thereby laying a foundation for future protein engineering and synthetic biology applications. Full article

(This article belongs to the Section Chemical Biology)

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17 pages, 690 KB

Open AccessArticle

The In Vitro Multifaceted Biological Activity of Catechins in Relation to Their Oxidation Potentials

by Małgorzata Wronkowska, Danuta Zielińska, Małgorzata Starowicz, Mateusz Szydłowski, Mariusz Konrad Piskuła and Henryk Zieliński

Molecules 2026, 31(8), 1328; https://doi.org/10.3390/molecules31081328 - 17 Apr 2026

Abstract

In this study, the rank of multifaceted activity of catechin (C), epicatechin (EC), epigallocatechin (EGC), epicatechin-3-gallate (ECG) and epigallocatechin-3-gallate (EGCG) was addressed. Their antioxidant activity was determined by the differential pulse voltammetry (DPV), [...] Read more.

In this study, the rank of multifaceted activity of catechin (C), epicatechin (EC), epigallocatechin (EGC), epicatechin-3-gallate (ECG) and epigallocatechin-3-gallate (EGCG) was addressed. Their antioxidant activity was determined by the differential pulse voltammetry (DPV), whereas their ability to inhibit angiotensin-converting enzyme (ACE) activity, acetylcholinesterase activity (AChE), and formation of the advanced glycation end-products (AGEs) was performed in a model system to show their importance against hypertension, Alzheimer-type dementia, and diabetic’s complication, respectively. The order of the antioxidant potential of catechins in comparision to gallic acid (GA) was EGCG > ECG > EC > EGC ≈ C > GA, whereas the order of the ACE inhibitory activity was EGCG > ECG > EGC > EC > C, thus indicating the importance of the structure–activity relationship. The correlation between IC₅₀ for ACE inhibition of catechins and their antioxidant activity had the value r = −0.60. The order of the AChE enzyme inhibitory activity was EGCG ≈ EGC > ECG > EC > C, and the weak positive correlation between IC₅₀ and the first anodic peak potential (E_pa1) values was noted (r = 0.67). The ranking of the anti-AGE activities was EGCG ≈ ECG > EGC > EC > C, and a negative correlation between the inhibitory activity of catechins against AGE formation and their antioxidant activity was r = −0.82, whereas a positive correlation (r = 0.88) was noted between their first anodic peak potential (E_pa1) values. The provided results expand our knowledge on the multifaceted activity of catechins, indicating EGCG and ECG as the most active antioxidants against inhibition of ACE and AChE as well as towards AGE formation. Full article

(This article belongs to the Special Issue Natural Compounds for Disease and Health, 4th Edition)

18 pages, 3615 KB

Open AccessArticle

Using the Scaffold of FDA-Approved Drugs with Trypanocidal Activity to Identify New Anti-Trypanosoma cruzi Agents: An In Silico and In Vitro Approach

by Lenci K. Vázquez-Jiménez, Alonzo González-González, Timoteo Delgado-Maldonado, Rogelio Gómez-Escobedo, Guadalupe Avalos-Navarro, Adriana Moreno-Rodríguez, Alma D. Paz-González, Eyra Ortiz-Pérez, Benjamín Nogueda-Torres and Gildardo Rivera

Molecules 2026, 31(8), 1327; https://doi.org/10.3390/molecules31081327 - 17 Apr 2026

Abstract

Chagas disease affects millions of people worldwide, including those in Latin America. The only drugs available for its treatment are benznidazole and nifurtimox. However, these drugs present high toxicity and limited efficacy. Therefore, the search for new treatments continues. In this regard, computer-assisted [...] Read more.

Chagas disease affects millions of people worldwide, including those in Latin America. The only drugs available for its treatment are benznidazole and nifurtimox. However, these drugs present high toxicity and limited efficacy. Therefore, the search for new treatments continues. In this regard, computer-assisted drug design has been implemented in scientific research for drug repurposing, allowing for reduced costs and time. Therefore, the objective of this work was to search for analogs of FDA-approved drugs with activity against Trypanosoma cruzi through ligand-based virtual screening and their biological evaluation against blood trypomastigotes. The compound TD-095 (LC₅₀ = 48.60 and 13.75 µM), a ketanserin analogue, TS-936 (LC₅₀ = 71.55 and 37.54 µM), a terfenadine analogue, and TD-831 (LC₅₀ = 75.94 and 26.17 µM), a sulfasalazine analogue, were considered as potential trans-sialidase inhibitors; TIM-967 (LC₅₀ = 69.70 and 39.69 µM) and LK-284 (LC₅₀ = 116.7 and 82.29 µM), two sulfonylurea analogues, were considered as potential triosephosphate isomerase inhibitors, showing better trypanocidal activity against NINOA and INC-5 strains, respectively, than the reference drugs. Molecular dynamics simulations predicted the stability of the compounds in complex with their respective proteins. Finally, the ADMET predictive analysis showed favorable properties for the compounds. These results support continued research into new agents against Trypanosoma cruzi, using structures of drugs already approved by the FDA. Full article

(This article belongs to the Special Issue Novel Antiparasitic Molecules for Neglected Tropical Diseases)

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