Molecules

14 pages, 3288 KB

Open AccessArticle

Electric Field Modulation and Ultrafast Photogenerated Electron-Hole Dynamics in MoSe₂/WSe₂ van der Waals Heterostructures

by Tian-Jun Dai, Zhong-Yuan Fan, Chao-Feng Peng, Xiang Xiao, Yi Zhou, Jian Sun, Zhang-Yu Zhou, Xiang Guo, Xue-Fei Liu and Xiang-Hong Niu

Molecules 2025, 30(18), 3840; https://doi.org/10.3390/molecules30183840 - 22 Sep 2025

Viewed by 405

Abstract

Understanding the non-equilibrium dynamical processes in two-dimensional (2D) transition metal dichalcogenide (TMDC) heterostructures is essential for elucidating their photoelectric behaviors. In this work, we investigate the electronic structure, electric field modulation, and transient optical performance of the MoSe₂/WSe₂ heterostructure using [...] Read more.

Understanding the non-equilibrium dynamical processes in two-dimensional (2D) transition metal dichalcogenide (TMDC) heterostructures is essential for elucidating their photoelectric behaviors. In this work, we investigate the electronic structure, electric field modulation, and transient optical performance of the MoSe₂/WSe₂ heterostructure using first principles and nonadiabatic molecular dynamics (NAMD) methods. Applying an external electric field effectively modulates the bandgap and band arrangement of MoSe₂/WSe₂ heterostructure, along with a transition from indirect to direct bandgap during which the type-II band alignment can be maintained. Specifically, the ultrafast interlayer photogenerated electron transfer time is 72 fs, and the interlayer electron-hole recombination time can be as long as 357 ns, which is longer than that of the intralayer recombination in the constituent monolayers (110 ns for MoSe₂ and 288 ns for WSe₂), yielding an ultrahigh charge separation efficiency of up to 99.99%. The significant time difference in the processes of photoinduced charge transfer and recombination can be attributed to the corresponding different nonadiabatic coupling averaged values, mainly determined by the electron–phonon coupling and energy difference. The carrier dynamics mechanism revealed in the MoSe₂/WSe₂ heterostructure is conducive to the development of 2D ultrafast optoelectronic devices. Full article

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14 pages, 2438 KB

Open AccessArticle

Anti-Atrophic Effects of Dichotomine B from Stellaria dichotoma During Starvation-Induced Skeletal Muscle Atrophy

by Jae-Yong Kim, Uttapol Permpoon, Ju-hee Lee, Ji Hoon Kim, Hye Mi Kim, Je-Seung Jeon, Tae-gyu Nam and Chul Young Kim

Molecules 2025, 30(18), 3839; https://doi.org/10.3390/molecules30183839 - 22 Sep 2025

Viewed by 364

Abstract

Muscle atrophy is defined as reductions in muscle size and function and represents a critical concern affecting elderly populations, immobilized patients, and individuals following specific dietary regimens, such as fasting and low-protein diets. This study investigated the protective effects of Stellaria dichotoma root [...] Read more.

Muscle atrophy is defined as reductions in muscle size and function and represents a critical concern affecting elderly populations, immobilized patients, and individuals following specific dietary regimens, such as fasting and low-protein diets. This study investigated the protective effects of Stellaria dichotoma root extract and its isolated bioactive compounds during muscle atrophy using both in vitro and in vivo experimental models. First, S. dichotoma root extract prevented dexamethasone (DEX)-induced atrophy in C2C12 myotubes. Through systematic solvent partitioning and resin chromatography, five compounds (1–5) were successfully isolated from the n-butanol fraction. Dichotomine B (2) was identified as the most abundant and bioactive constituent. Treatment with dichotomine B significantly preserved the myotube diameter, enhanced the fusion index, and maintained the myosin heavy chain protein level while suppressing key atrophic biomarkers, including FoxO3a, MuRF-1, and Atrogin-1, in DEX-treated myotubes. Furthermore, dichotomine B (2) reduced proteolysis in serum-free cultured C2C12 myotubes and in mice subjected to 48 h of fasting, preserving muscle mass and strength. These findings suggest that S. dichotoma root extract and its principal compound, dichotomine B (2), have promising therapeutic potential and provide an opportunity to develop novel pharmacological interventions against muscle wasting through suppression of proteolysis pathways. Full article

(This article belongs to the Special Issue Advances in Natural Products and Their Biological Activities—2nd Edition)

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9 pages, 904 KB

Open AccessArticle

Solid-Phase Synthesis for Constructing Thiazolotriazinone-Based Compounds Library

by Shuanghui Hua, Jimin Moon, Youngbeom Kim, Dong Jae Baek and Taeho Lee

Molecules 2025, 30(18), 3838; https://doi.org/10.3390/molecules30183838 - 22 Sep 2025

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Abstract

We describe the first solid-phase synthesis of thiazolo [4,5-d] [1,2,3] triazin-4(3H)-one derivatives using Merrifield resin. The modular sequence involves Thorpe–Ziegler cyclization, sulfone oxidation, and disulfonate nucleophilic substitution, with each step monitored by real-time ATR-FTIR spectroscopy. Conducted under mild conditions [...] Read more.

We describe the first solid-phase synthesis of thiazolo [4,5-d] [1,2,3] triazin-4(3H)-one derivatives using Merrifield resin. The modular sequence involves Thorpe–Ziegler cyclization, sulfone oxidation, and disulfonate nucleophilic substitution, with each step monitored by real-time ATR-FTIR spectroscopy. Conducted under mild conditions with broad functional group tolerance, the protocol delivered a library of 40 compounds in average stepwise yields of 68–97%, requiring only simple resin washing for purification. This study demonstrates a solid-phase route to thiazolotriazinones and illustrates its applicability in heterocyclic library construction and SAR studies. Full article

(This article belongs to the Special Issue Aromatic Heterocyclic Compounds: Synthesis, Reactivity and Applications)

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13 pages, 1624 KB

Open AccessArticle

SABRE Ir-IMes Catalysis for the Masses

by Izabelle Smith, Noah Terkildsen, Zachary Bender, Abubakar Abdurraheem, Shiraz Nantogma, Anna Samoilenko, Joseph Gyesi, Larisa M. Kovtunova, Oleg G. Salnikov, Igor V. Koptyug, Raphael Kircher, Danila A. Barskiy, Eduard Y. Chekmenev and Roman V. Shchepin

Molecules 2025, 30(18), 3837; https://doi.org/10.3390/molecules30183837 - 22 Sep 2025

Cited by 2 | Viewed by 488

Abstract

The Signal Amplification By Reversible Exchange (SABRE) technique provides enhancement of Nuclear Magnetic Resonance (NMR) signals up to several orders of magnitude using chemical exchange of a substrate and parahydrogen on an iridium complex. Therefore, the availability of such a catalytic complex to [...] Read more.

The Signal Amplification By Reversible Exchange (SABRE) technique provides enhancement of Nuclear Magnetic Resonance (NMR) signals up to several orders of magnitude using chemical exchange of a substrate and parahydrogen on an iridium complex. Therefore, the availability of such a catalytic complex to a broader community is an absolutely vital step for dissemination of the groundbreaking SABRE methodology. The most common SABRE catalyst, which is activated in situ, is based on Ir-IMes system (IMes = 1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene). Earlier approaches for the synthesis of this catalyst often relied on specialized equipment and were limited to a comparatively small scale. This, in turn, increased the barrier of entry for new scientists to the area of SABRE hyperpolarization. Here, we present a robust, inexpensive, and easy to reproduce synthetic procedure for the preparation of this SABRE catalyst, which does not require specialized inert atmosphere equipment like a glove box or Schlenk line. The synthesis was validated on the scale of several grams vs. tens of milligrams scale in the reported approaches. The resulting SABRE catalyst, [Ir(IMes)(COD)Cl], was activated in situ and further evaluated in hyperpolarization experiments resulting in signal enhancements comparable to (or higher than) those for the catalyst prepared using Schlenk line equipment. Full article

(This article belongs to the Special Issue Emerging Horizons of Hyperpolarization in Chemistry and Biomedicine)

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22 pages, 595 KB

Open AccessArticle

An Assessment of the Public Health Risk Associated with Consumption of Imported Fish Based on the Intake of Essential and Harmful Elements

by Agata Witczak, Artur Ciemniak, Beata Więcaszek, Sławomir Keszka, Mikołaj Protasowicki and Kamila Pokorska-Niewiada

Molecules 2025, 30(18), 3836; https://doi.org/10.3390/molecules30183836 - 22 Sep 2025

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Abstract

Despite its many important health benefits, fish consumption is associated with a growing risk of toxicity due to increasing levels of environmental pollution. Therefore, this study compared the potential risks to human health associated with the consumption of imported fish and locally produced [...] Read more.

Despite its many important health benefits, fish consumption is associated with a growing risk of toxicity due to increasing levels of environmental pollution. Therefore, this study compared the potential risks to human health associated with the consumption of imported fish and locally produced fish, which may be contaminated with toxic elements. A selection of the most commonly consumed fish in Poland, imported and domestic, was assayed for 11 trace elements in muscle tissue using ICP-AES, CV-AAS and GF-AAS. In general, the levels of toxic elements decreased according to the following sequence: As > Hg > Cd > Pb; however, the values of lead were slightly higher than those of cadmium in cod. All imported fish contained significantly more cadmium than the Polish species. Our assessment of EDI, THQ, TTHQ, TWI, PTMI and BMDL₀₁ indicates that typical levels of consumption of fish do not pose a risk based on the assumed intake. The highest TTHQ was observed in tilapia, but it did not exceed 0.169. This was well below the acceptable value. Hence, the consumption of these fish does not appear to entail any non-carcinogenic or carcinogenic health risks. In addition, the estimated consumer risk parameters indicate no risk to consumer health in the short term; however, the presence of these elements may present a long-term hazard due to the potential for bioaccumulation. Continuous monitoring of trace element concentrations, especially toxic ones, is recommended for the protection of communities in both local and global contexts. Our findings provide a clearer picture of the health risk associated with the consumption of fish in the Polish market. Full article

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

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15 pages, 2516 KB

Open AccessArticle

Enhanced Amitriptyline Degradation by Electrochemical Activation of Peroxydisulfate: Mechanisms of Interfacial Catalysis and Mass Transfer

by Teer Wen, Fangying Hu, Yao Yue, Chuqiao Li, Yunfei He and Jiafeng Ding

Molecules 2025, 30(18), 3835; https://doi.org/10.3390/molecules30183835 - 22 Sep 2025

Viewed by 361

Abstract

Amitriptyline (AMT), a widely prescribed antidepressant, and its metabolites have emerged as significant environmental contaminants, posing substantial risks to aquatic organisms and human health. Systematic and in-depth investigations into advanced anode materials, coupled with a profound elucidation of their electrochemical mechanisms, are imperative [...] Read more.

Amitriptyline (AMT), a widely prescribed antidepressant, and its metabolites have emerged as significant environmental contaminants, posing substantial risks to aquatic organisms and human health. Systematic and in-depth investigations into advanced anode materials, coupled with a profound elucidation of their electrochemical mechanisms, are imperative for the development of efficacious technologies for AMT removal. In this study, a series of amorphous carbon-encapsulated zinc oxide (C@ZnO) modified anodes were systematically synthesized and incorporated into a persulfate-based electrochemical system (CZ-PS) to comprehensively elucidate the catalytic mechanisms and mass transfer efficiencies governing the degradation of AMT via electroperoxidation. Notably, the CZ-PS system achieved a 97.5% degradation for 5.0 mg/L AMT within 120 min under optimized conditions (200 C@ZnO electrode, pH 7.0, current density 20 mA/cm², PS concentration 0.5 mM), significantly outperforming the single PS system (37.8%) or the pure electrocatalytic system. Quenching experiments and EPR analysis confirmed hydroxyl radicals (•OH) and sulfate radicals (SO₄•⁻) as the dominant reactive species. Both acidic and neutral pH conditions were demonstrated to favorably enhance the electrocatalytic degradation efficiency by improving adsorption performance and inhibiting •OH decomposition. The system retained >90% degradation efficiency after 5 electrode cycles. Three degradation pathways and 13 intermediates were identified via UPLC–MS/MS analysis, including side-chain demethylation and oxidative ring-opening of the seven-membered ring to form aldehyde/carboxylic acid compounds, ultimately mineralizing into CO₂ and H₂O. It demonstrates strong engineering potential and provides a green, high-efficiency strategy for antibiotic wastewater treatment. Full article

(This article belongs to the Special Issue Advanced Removal of Emerging Pollutants and Its Mechanism)

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1 pages, 125 KB

Open AccessCorrection

Correction: Fraś et al. Characteristics of the Content and Variability of Dietary Fiber Components and Alkylresorcinols of Rye Grain (Secale cereale L.). Molecules 2025, 30, 2994

by Anna Fraś, Magdalena Wiśniewska, Dariusz R. Mańkowski and Marlena Gzowska

Molecules 2025, 30(18), 3834; https://doi.org/10.3390/molecules30183834 - 22 Sep 2025

Viewed by 221

Abstract

In the published paper [...] Full article

(This article belongs to the Special Issue Analysis and Biological Evaluation of Bioactive Compounds from Natural Sources, 2nd Edition)

14 pages, 1161 KB

Open AccessArticle

Antioxidant and Photoprotective Capacity of Secondary Metabolites Isolated from Pseudocyphellaria berberina

by Cecilia Rubio, Javiera Ramírez, José L. Rojas, Norma A. Valencia-Islas, Carolina Campos and Natalia Quiñones

Molecules 2025, 30(18), 3833; https://doi.org/10.3390/molecules30183833 - 22 Sep 2025

Viewed by 384

Abstract

Exposure to sunlight, whose main component is UV radiation (UVR), leads to various skin damage such as sunburns, premature aging, or more severe issues such as increased symptoms of autoimmune disease and skin cancer. Therefore, there is a growing interest in developing improved [...] Read more.

Exposure to sunlight, whose main component is UV radiation (UVR), leads to various skin damage such as sunburns, premature aging, or more severe issues such as increased symptoms of autoimmune disease and skin cancer. Therefore, there is a growing interest in developing improved photoprotective agents that can protect skin from sunlight incidence and antioxidants that counteract the oxidative stress caused by it. Lichens are a source of such agents since they adapt to extreme environments including those with high UVR by biosynthesizing metabolites with those properties. In this study, brialmontin 2 (1), physciosporin (2), and pseudocyphellarin A (3) were isolated for the first time from the lichen Pseudocyphellaria berberina (G. Forst.) D. J. Galloway & P. James, along with calycin (4) and 22-hydroxystictan-3-one (5). Their structural characterization was carried out by spectroscopy (¹H and ¹³C NMR). Sun protection factor (SPF) along with critical wavelength (λ_crit), a UVA/UVB ratio (UVA/UVB-r) of one to five, and acetone extract (AE) were evaluated spectrophotometrically as a measure of their UVB and UVA photoprotective capacities, respectively. Additionally, their antioxidant activity was measured by scavenging DPPH free radicals (RSA). Compounds 2, 4, and AE showed “medium” UVB photoprotective capacities (with SPFs between 15 and 30). Additionally, 4 and AE presented “maximum” UVA photoprotective capacities (λ_crit > 370 nm and UVA/UVB-r > 0.8), whereas this activity was “good” for 2 and 3 (λ_crit 350 to 370 nm and UVA/UVB-r 0.4 to 0.6), and “moderate” for 1 (λ_crit 335 to 350 nm and UVA/UVB-r 0.2 to 0.4). All compounds and AE showed antioxidant activity, standing out were AE and 4 with activity comparable to the controls (ca. 95 and 81 RSA %, respectively, at 1000 ppm). AE and 4 are dual agents with photoprotective (UVB-UVA) and antioxidant capacities that could help prevent skin damage associated with sunlight. In silico assays suggest that 4 spontaneously diffuses into the stratum corneum with limited absorption through the skin. Additionally, 4 lacks potential toxicity to Normal Human Epidermal Keratinocytes (showing viability ca. 70% at 100 ppm); therefore, it is a candidate for the development of sunscreen formulations. Full article

(This article belongs to the Special Issue Exploring the Therapeutic Potential of Natural Antioxidants)

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24 pages, 3983 KB

Open AccessArticle

CO₂ Solubility in Aqueous Solutions of Amine–Ionic Liquid Blends: Experimental Data for Mixtures with AMP and MAPA and Modeling with the Modified Kent–Eisenberg Model

by Giannis Kontos and Ioannis Tsivintzelis

Molecules 2025, 30(18), 3832; https://doi.org/10.3390/molecules30183832 - 21 Sep 2025

Viewed by 483

Abstract

Carbon dioxide (CO₂) capture using alkanolamines remains the most mature technology, yet faces challenges including solvent loss, high regeneration energy and equipment corrosion. Ionic liquids (ILs) are proposed as alternatives, but their high viscosity and production costs hinder industrial use. Thus, [...] Read more.

Carbon dioxide (CO₂) capture using alkanolamines remains the most mature technology, yet faces challenges including solvent loss, high regeneration energy and equipment corrosion. Ionic liquids (ILs) are proposed as alternatives, but their high viscosity and production costs hinder industrial use. Thus, blending ILs with amines offers a promising approach. This work presents new experimental data for aqueous blends of 1-butyl-3-methylimidazolium hydrogen sulfate,

[B m i m^{+}] [H S O_{4}^{-}],

with 2-amino-2-methyl-1-propanol (AMP) and 3-(methylamino)propylamine (MAPA) and for choline glycine,

[C h^{+}] [G l y^{-}]

, with AMP, modeled using the modified Kent–Eisenberg approach. It was shown that substituting a portion of the amine with

[B m i m^{+}] [H S O_{4}^{-}]

reduces CO₂ uptake per mole of amine due to the lower solution’s basicity, despite the added sites for physical absorption. In contrast, the replacement of an amine portion with

[C h^{+}] [G l y^{-}]

enhances both physical and chemical interactions, leading to increased CO₂ solubility per mole of amine. Finally, replacing a small portion of water with

[C h^{+}] [G l y^{-}]

does not significantly alter the bulk CO₂ solubility (moles of CO₂ per kg of solvent) but lowers the solvent’s vapor pressure. Given the non-toxic nature of

[C h^{+}] [G l y^{-}]

, the resulting solvent poses no added environmental risk. Model predictions agree well with experimental data (deviations of 2.0–11.6%) and indicate low unreacted amine content at CO₂ partial pressures of 1–10 kPa for carbamate-forming amines, i.e.,

[G l y^{-}]

, and MAPA. Consequently, at higher CO₂ partial pressures, the solubility increases due to carbamate hydrolysis and molecular CO₂ dissolution. Full article

(This article belongs to the Special Issue Advances in Green Solvents for Analytical Chemistry: Deep Eutectic Solvents and Biosolvents)

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26 pages, 1702 KB

Open AccessReview

Botany, Ethnomedicinal Uses, Biological Activities, Phytochemistry, and Technological Applications of Morinda citrifolia Plants

by José Adão Carvalho Nascimento Júnior, Anamaria Mendonça Santos, Ana Maria Santos Oliveira, Cláudio Carvalho Santana Júnior, Mairim Russo Serafini, Jullyana de Souza Siqueira Quintans, Laurent Picot, Irwin Rose Alencar de Menezes and Lucindo José Quintans-Júnior

Molecules 2025, 30(18), 3831; https://doi.org/10.3390/molecules30183831 - 21 Sep 2025

Viewed by 786

Abstract

Morinda citrifolia L., known as noni, is a tropical plant belonging to the Rubiaceae family and is widely used in traditional medicine for its therapeutic properties. This review compiles botanical, ethnomedicinal, phytochemical, and pharmacological information about the species, as well as its technological [...] Read more.

Morinda citrifolia L., known as noni, is a tropical plant belonging to the Rubiaceae family and is widely used in traditional medicine for its therapeutic properties. This review compiles botanical, ethnomedicinal, phytochemical, and pharmacological information about the species, as well as its technological applications. Studies indicate that various parts of the plant, such as the fruits, leaves, seeds, and roots, contain bioactive compounds such as flavonoids, iridoids, alkaloids, and phenolic acids. These compounds are associated with antioxidant, antimicrobial, anti-inflammatory, wound-healing, gastroprotective, antidiabetic, and hypocholesterolemic activities. Among these, antioxidant activity is particularly notable, with different extracts and isolated compounds demonstrating potent free radical scavenging capabilities. Additionally, the antimicrobial potential against resistant bacteria, healing effects observed in animal models, and immunomodulatory properties further support the traditional therapeutic use of noni. Moreover, the plant shows promise for applications in the formulation of pharmaceutical, cosmetic, and nutraceutical products. Although evidence of its beneficial effects is growing, further clinical studies and standardization of extracts are necessary to ensure its safe and effective use in medical practice. Full article

(This article belongs to the Special Issue Advances in Natural Products and Their Biological Activities—2nd Edition)

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12 pages, 2733 KB

Open AccessArticle

Preparation and Rheological Properties of Xanthoceras Sorbifolia Bunge Oil-Based Lubricating Oil Based on Ring-Opening Esterification Modification and Nano-C₁₄MA/MMT Synergistic Strengthening

by Zexin Li, Kai Zhang, Haoyue Wang, Tao Hou, Zhuoyi Lv, Wencong Li, Zhenpeng Wang and Yinan Hao

Molecules 2025, 30(18), 3830; https://doi.org/10.3390/molecules30183830 - 21 Sep 2025

Viewed by 351

Abstract

Lubricating oil plays a critical role in protecting mechanical systems. Driven by sustainable development strategies, the development of high-performance, biocompatible green lubricants has become an urgent industry need. Biomass resources, characterized by wide distribution, renewability, and environmental friendliness, represent ideal raw materials for [...] Read more.

Lubricating oil plays a critical role in protecting mechanical systems. Driven by sustainable development strategies, the development of high-performance, biocompatible green lubricants has become an urgent industry need. Biomass resources, characterized by wide distribution, renewability, and environmental friendliness, represent ideal raw materials for replacing petrochemical-based lubricants. In this study, renewable Xanthoceras sorbifolia oil was utilized as the feedstock. Branched modification was achieved via ring-opening esterification using 2-ethylhexanol (2-EH) as the modifier and tetrafluoroboric acid (HBF₄) as the catalyst. This epoxidation-branching modification process was synergistically combined with Nano-C₁₄MA/MMT treatment. This approach significantly reduced high-temperature kinematic viscosity loss while maintaining excellent low-temperature flow properties, resulting in an Xanthoceras sorbifolia oil-based lubricant with outstanding viscosity–temperature performance and low-temperature fluidity. At a Nano-C₁₄MA/MMT mass ratio of 0.3 wt% of the base oil, the lubricant demonstrated superior wide-temperature performance: KV₄₀ = 424.1 mm²/s, KV₁₀₀ = 50.8 mm²/s, VI = 180.8. The SP was reduced to −43 °C, exceeding the performance requirements of V-class environmentally friendly lubricants (e.g., synthetic ester oils). Furthermore, the coefficient of friction (COF) was 0.011 and the anti-wear scar diameter (AWSD) was 0.44 mm, indicating lubrication performance significantly superior to SN-class lubricants (specifications: COF < 0.12, AWSD < 0.50 mm). Full article

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16 pages, 1603 KB

Open AccessArticle

Ultrasound-Assisted Eutectic Solvent-Based Process Intensification for Sustainable Recovery of Oleuropein from Olive Leaves

by Andrea Sánchez-Monedero, María González-Miquel and Emilio J. González

Molecules 2025, 30(18), 3829; https://doi.org/10.3390/molecules30183829 - 21 Sep 2025

Viewed by 491

Abstract

Olive leaves, a significant source of agri-food waste, can be valorized as feedstock in biorefineries due to their high content of antioxidant compounds, mainly polyphenols. This study aims to valorize olive leaves through an efficient solid/liquid extraction of oleuropein, its main polyphenol, using [...] Read more.

Olive leaves, a significant source of agri-food waste, can be valorized as feedstock in biorefineries due to their high content of antioxidant compounds, mainly polyphenols. This study aims to valorize olive leaves through an efficient solid/liquid extraction of oleuropein, its main polyphenol, using green solvents and advanced technologies. Accordingly, three natural eutectic solvents formed with 1,2-butanediol and choline chloride, betaine, or proline, which incorporated water or ethanol as cosolvents, and ultrasound-assisted extraction to enhance the process were used in this work. Additionally, the effect of the cosolvent composition on the physical properties of the solvent mixtures (i.e., density and viscosity as a function of temperature) was evaluated. The extraction time was optimized for both conventional and intensified extractions, and the antioxidant activity of the extracts was assessed over time to determine their stability. Measurements through high-performance liquid chromatography and antioxidant activity assays concluded that ultrasound-assisted extraction using the solvent proline:1,2-butanediol prepared with ethanol at 25–75% composition yielded the best results at 37.00 mg of oleuropein per gram of dry sample (g/ds), obtained after just 1 min of intensified extraction, with a notable reduction in both time and energy consumption from conventional extraction, while providing significant antioxidant activity and stability. Full article

(This article belongs to the Special Issue Plant Secondary Metabolites: Extraction, Isolation and Biological Activity)

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25 pages, 3464 KB

Open AccessReview

The Role of Metallodrugs in Enhancing Neuroendocrine Neoplasm Therapies: The Promising Anticancer Potential of Ruthenium-Based Complexes

by Erika Stefàno, Federica De Castro, Asjad Ali, Michele Benedetti and Francesco Paolo Fanizzi

Molecules 2025, 30(18), 3828; https://doi.org/10.3390/molecules30183828 - 21 Sep 2025

Viewed by 437

Abstract

Neuroendocrine neoplasms (NENs) represent a small and heterogeneous group of tumors that share a common phenotype, originating from cells within the endocrine and nervous systems. Metallodrugs have had a significant impact on the treatment of NENs, as platinum-based chemotherapy is the first-line therapy [...] Read more.

Neuroendocrine neoplasms (NENs) represent a small and heterogeneous group of tumors that share a common phenotype, originating from cells within the endocrine and nervous systems. Metallodrugs have had a significant impact on the treatment of NENs, as platinum-based chemotherapy is the first-line therapy approved for managing these types of tumors. Currently, medicinal inorganic chemistry is investigating new metal-based drugs to mitigate the side effects of existing agents, including cisplatin and its derivative compounds. Among the emerging alternatives to platinum-based drugs, ruthenium-based complexes garnered attention as potential chemotherapeutics due to their notable antineoplastic and antimetastatic activity. This review focuses on the promising antitumor effects of certain Ru compounds in NEN therapy, emphasizing their potential in NEN treatment through interaction with new potential targets. Among these, IT-139 (also known as KP-1339 or NKP-1339), which has already entered clinical trials, and other new Ru compounds are highlighted. Full article

(This article belongs to the Special Issue Metal-Based Drugs: Past, Present and Future, 3rd Edition)

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14 pages, 3564 KB

Open AccessArticle

The Effect of Two Preservation Techniques on the Yield, Percentage Solids, Electrophoretic Profile, Gelatinolytic Activity, and Brine Shrimp Lethality of Bitis arietans Venom

by Mitchel Okumu, Anna Nieczaj, Farhan Hassan, Selline Ooko, Ebrahim Sande, Rosa Chinheya, Jacqueline Manjia and Aleksandra Bocian

Molecules 2025, 30(18), 3827; https://doi.org/10.3390/molecules30183827 - 21 Sep 2025

Viewed by 600

Abstract

This study compared the yield, percentage solids, electrophoretic profile, gelatinolytic activity, and brine shrimp lethality of Bitis arietans venom prepared using freeze-drying and desiccator drying. Bitis arietans venom was collected from snakes at Bioken snake farm, Kenya, whereafter it was pooled and divided [...] Read more.

This study compared the yield, percentage solids, electrophoretic profile, gelatinolytic activity, and brine shrimp lethality of Bitis arietans venom prepared using freeze-drying and desiccator drying. Bitis arietans venom was collected from snakes at Bioken snake farm, Kenya, whereafter it was pooled and divided into two parts. Part 1 was desiccator dried venom (DDV) while part 2 was freeze-dried venom (FDV). The yield and percentage solids in DDV and FDV were compared using Welch’s Student’s t-test and the dried venoms were subsequently subjected to sodium dodecyl sulphate polyacrylamide gel electrophoresis (SDS-PAGE), 2D electrophoresis, gelatin in-gel zymography, and brine shrimp lethality assays. Mean venom yield and percentage solids did not differ between DDV and FDV (p = 0.5647 and p = 0.4676, respectively). SDS-PAGE and two-dimensional (2D) electrophoresis revealed similar protein profiles for DDV and FDV, showing bands and spot clusters within molecular weight ranges of ~16 kDa to >150 kDa and pH ranging from 3.5 to 9.5. Enzyme zymography revealed comparable gelatinolytic activity between DDV and FDV. However, the brine shrimp lethality assay indicated significantly higher toxicity in DDV (LC₅₀: 86.57 μg/mL) compared to FDV (LC₅₀: 460.37 μg/mL). DDV also showed greater lethality than FDV at 100 μg/mL (p = 0.0416) and 1000 μg/mL (p = 0.0008) but not at 10 μg/mL (p = 0.2465). These findings suggest that DDV exhibits higher toxicity in brine shrimp larvae than FDV, although both drying methods result in similar yields, percentage solids, venom profile, and gelatinolytic activity. Further research is necessary to investigate the mechanism behind this difference and its implications for antivenom production and long-term stability of venom. Full article

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15 pages, 1981 KB

Open AccessArticle

In Silico Design, Synthesis, and Antibacterial Evaluation of Allyl Esters of Salicylic and Acetylsalicylic Acid and Their Copolymers

by Eldar Garaev, Namig Rasulov, Shafa Aliyeva and Jamila Yusifova

Molecules 2025, 30(18), 3826; https://doi.org/10.3390/molecules30183826 - 21 Sep 2025

Viewed by 387

Abstract

The main objective of the study was to choose the best salicylic acid-based monomers through in silico research to improve the antibacterial effects of dental prostheses, refine the synthesis process of such monomers, and examine their antibacterial and antifungal properties in vitro, forecast [...] Read more.

The main objective of the study was to choose the best salicylic acid-based monomers through in silico research to improve the antibacterial effects of dental prostheses, refine the synthesis process of such monomers, and examine their antibacterial and antifungal properties in vitro, forecast the long-term stability in an oral biological environment using molecular docking software and synthesizing new copolymers. Based on their strong antibacterial activity and low toxicity compared to other derivatives, the allyl ester of salicylic acid (AESA) and the allyl ester of acetylsalicylic acid (AEASA) were chosen as the study objects. Salicylic and acetylsalicylic acids were esterified with allyl alcohol and allyl bromide in a variety of solvents and temperatures to synthesize AESA and AEASA. The optimal conditions were identified with a yield of 78%. IR spectroscopy was used to confirm the chemical structure of synthesized molecules. In the presence of peroxybenzoyl, the regularities of the polymerization process between the obtained monomer and oligoethylene macromonomer (PEMM) were examined. To obtain new antibacterial oligomers containing a salicylic group and to study their physico-chemical properties, a technology for obtaining the copolymers of AESA with PEMM was developed, and their physical, mechanical, and antimicrobial properties were studied. Full article

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14 pages, 535 KB

Open AccessArticle

Hepatotoxicity and Antimicrobial Resistance to Amoxicillin and Amoxicillin/Clavulanic Acid: Data Analysis from EudraVigilance

by Ilaria Ammendolia, Carmen Mannucci, Emanuela Esposito, Gioacchino Calapai, Mariaconcetta Currò, Paola Midiri, Luigi Cardia and Fabrizio Calapai

Molecules 2025, 30(18), 3825; https://doi.org/10.3390/molecules30183825 - 21 Sep 2025

Viewed by 745

Abstract

Amoxicillin is widely prescribed, either as a monotherapy or in combination with clavulanic acid, with its therapeutic indications including a broad range of infections. Its combination with clavulanic acid maintains its known activity against strains producing β-lactamase. There are limited studies on adverse [...] Read more.

Amoxicillin is widely prescribed, either as a monotherapy or in combination with clavulanic acid, with its therapeutic indications including a broad range of infections. Its combination with clavulanic acid maintains its known activity against strains producing β-lactamase. There are limited studies on adverse reactions and antibiotic resistance, with researchers relying primarily on databanks that report spontaneous events caused by amoxicillin or the combination of amoxicillin/clavulanic acid. Antimicrobial resistance is an overlooked adverse event, and pharmacovigilance databases could serve as a tool in tracking resistance. On this basis, a study to define the safety profile of amoxicillin and amoxicillin/clavulanic acid and to increase the knowledge necessary to support the battle against antimicrobial resistance was undertaken through the analysis of pharmacovigilance databases. Suspected adverse reactions to amoxicillin and to the combination of amoxicillin/clavulanic acid in the data system EudraVigilance (2020–2024) were analyzed. The most frequent alerts concerned “Skin and subcutaneous disorders” for both drugs. Disproportionate analysis of cases concerning “Hepatobiliary disorders” or “Drug inefficiency” indicates a significant increase in these alerts with the amoxicillin/clavulanic acid combination compared to amoxicillin. The amoxicillin/clavulanic acid combination has previously been associated with a higher risk of hepatotoxicity and antibiotic resistance to amoxicillin/clavulanic acid; however, this is the first time that a post-marketing surveillance study has shown that antimicrobial resistance is more likely to occur with the combination in comparison to amoxicillin alone. Full article

(This article belongs to the Section Medicinal Chemistry)

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17 pages, 634 KB

Open AccessReview

Vitamin D Associated with Exercise Can Be Used as a Promising Tool in Neurodegenerative Disease Protection

by Gabriele Farina and Clara Crescioli

Molecules 2025, 30(18), 3823; https://doi.org/10.3390/molecules30183823 - 21 Sep 2025

Viewed by 773

Abstract

Neurodegenerative diseases, including Parkinson’s disease, Alzheimer’s disease, multiple sclerosis, and Huntington’s disease, represent unmet medical and social needs. Still, no definitive cure exists for these illnesses, hence a therapeutic approach with molecules able to prevent/downtone/modify the disease seems highly attractive. Remarkably, a higher [...] Read more.

Neurodegenerative diseases, including Parkinson’s disease, Alzheimer’s disease, multiple sclerosis, and Huntington’s disease, represent unmet medical and social needs. Still, no definitive cure exists for these illnesses, hence a therapeutic approach with molecules able to prevent/downtone/modify the disease seems highly attractive. Remarkably, a higher risk of neurodegenerative disease is associated with low vitamin D levels. Vitamin D is a multifaceted molecule able to target critical neuroinflammatory processes underlying neurodegeneration, acting through genomic or rapid signaling. This narrative review aims to focus on vitamin D’s potential to be an optimal neuroprotective molecule, based on its ability to target and counteract aberrant biomolecular processes involved in neuroinflammation/neurodegeneration. Noticeably, exercise can potentiate vitamin D’s protective effect through some anti-inflammatory actions exerted on shared biomolecular targets. Thus, although vitamin D is not strictly a drug, it could be potentially allocated within the therapeutic approach to neurodegenerative diseases in combination with adapted exercise, best as an early intervention. Topics on the complexity concerning the doses for supplementation and data discrepancy from trials are addressed. The urgent demand is to test and clarify vitamin D efficacy and safety, combined or not with exercise, in clinical settings. Full article

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

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20 pages, 5924 KB

Open AccessArticle

A Novel Schiff Base Probe Based on Fluorescein for Fluorometric and Colorimetric Dual-Mode Rapid Detection of Cu²⁺

by Zhi Yang, Chaojie Lei, Qian Wang, Yonghui He and Senlin Tian

Molecules 2025, 30(18), 3824; https://doi.org/10.3390/molecules30183824 - 20 Sep 2025

Viewed by 432

Abstract

Copper is an important environmental pollutant that poses a significant threat to human health and environmental safety. Therefore, the development of methods for detecting Cu²⁺ is of great significance. A novel fluorometric/colorimetric dual-mode sensor for detecting Cu²⁺ was synthesized by Schiff [...] Read more.

Copper is an important environmental pollutant that poses a significant threat to human health and environmental safety. Therefore, the development of methods for detecting Cu²⁺ is of great significance. A novel fluorometric/colorimetric dual-mode sensor for detecting Cu²⁺ was synthesized by Schiff base reaction using fluorescein hydrazide and 8-hydroxyjulonidine-9-carboxaldehyde as raw materials. Cu²⁺ could form a complex with the probe in a stoichiometric ratio of 1:1. Within 1 min, the fluorescence of the probe rapidly quenched at 540 nm, and the absorbance reached a stable state at 452 nm. The color of the solution changed from light yellow to yellow, achieving real-time and visual detection of Cu²⁺. This probe exhibited exceptional selectivity for Cu²⁺. Within the range of 0–12 μM, the fluorescence intensity of the probe demonstrated a strong linear correlation with the concentration of Cu²⁺ (R² = 0.994), with a detection limit of 0.22 µM. In the ultraviolet colorimetric method, when the Cu²⁺ concentration reached 14 μM, the absorbance stabilized (R² = 0.996), and the detection limit for Cu²⁺ was determined to be 0.38 µM. Furthermore, this probe enabled reversible detection of Cu²⁺, and its performance in real water sample analysis and cellular bioimaging was proven to be highly satisfactory. Full article

(This article belongs to the Section Organometallic Chemistry)

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16 pages, 3869 KB

Open AccessArticle

Enhanced Stability and Charge Separation of InP by Assembling Al₂O₃ and Metallic Al for Photocatalytic Overall Water Splitting

by Zhiquan Yin, Wenlong Zhen, Xiaofeng Ning, Zhengzhi Han and Gongxuan Lu

Molecules 2025, 30(18), 3822; https://doi.org/10.3390/molecules30183822 - 20 Sep 2025

Viewed by 432

Abstract

Photocatalytic hydrogen evolution from water is a sustainable approach to producing clean energy and promoting sustainable development. However, the low efficiency of photocatalysts under visible light and even near-infrared irradiation remains the current bottleneck in photocatalytic overall water splitting (POWS). Herein, we introduce [...] Read more.

Photocatalytic hydrogen evolution from water is a sustainable approach to producing clean energy and promoting sustainable development. However, the low efficiency of photocatalysts under visible light and even near-infrared irradiation remains the current bottleneck in photocatalytic overall water splitting (POWS). Herein, we introduce an Al₂O₃/InP/Al photocatalyst with high efficiency and stability, which achieved an apparent quantum efficiency of 0.97% at 500 nm and operated for 10 h without significant performance decay. The high quantum efficiency and stability are attributed to the combination of the electron-rich Al reflective layer and Al₂O₃ protective layer coating, which synergistically facilitate charge separation. Additionally, the newly generated O₂ from water over the Al₂O₃/InP/Al photocatalyst was removed under reduced pressure, thus inhibiting InP photocorrosion and enabling POWS under visible light irradiation. This study offers valuable insights for the development of efficient solar photocatalysts for water splitting. Full article

(This article belongs to the Section Photochemistry)

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31 pages, 7006 KB

Open AccessArticle

Balsalazide-Derived Heterotriaryls as Sirtuin 5 Inhibitors: A Case Study of a Reversible Covalent Inhibition Strategy

by Ricky Wirawan, Simon A. Huber, Thomas Wein and Franz Bracher

Molecules 2025, 30(18), 3821; https://doi.org/10.3390/molecules30183821 - 20 Sep 2025

Viewed by 451

Abstract

Sirtuin 5 is an NAD⁺-dependent lysine deacylase that is involved in various biological processes and has emerged as a promising target for pharmaceutical therapies. The development of highly potent and subtype-selective sirtuin 5 inhibitors for their application as chemical tools and [...] Read more.

Sirtuin 5 is an NAD⁺-dependent lysine deacylase that is involved in various biological processes and has emerged as a promising target for pharmaceutical therapies. The development of highly potent and subtype-selective sirtuin 5 inhibitors for their application as chemical tools and drug candidates still poses a significant challenge. Based on our own optimized balsalazide-derived sirtuin 5 inhibitors, this work presents a systematic investigation of the inhibitory effects of derivatives with moieties that were guided by docking experiments to target the nicotinamide ribose vicinal hydroxy groups of the essential co-factor NAD⁺ via reversible covalent binding to potentially enhance their potency. Our results show that functionalizations with these moieties were tolerated to some extent and possessed a distinct stereo-selective preference. The (S)-configured cyanomethyl derivative 50 with an IC₅₀ of 27 µM emerged from our synthesized library of compounds as the most potent functionalized inhibitor and lies in a similar potency range to other established sirtuin 5 inhibitors. Our findings offer a deeper insight into the structure–activity relationships of our balsalazide-derived heterotriaryl-based sirtuin 5 inhibitors and thus could provide an avenue for further optimizations in the future. Full article

(This article belongs to the Special Issue Organic Molecules in Drug Discovery and Development)

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20 pages, 19644 KB

Open AccessArticle

Effect of Support and Polymer Modifier on the Catalytic Performance of Supported Palladium Catalysts in Hydrogenation

by Assemgul S. Auyezkhanova, Eldar T. Talgatov, Sandugash N. Akhmetova, Aigul I. Jumekeyeva, Akzhol A. Naizabayev, Aigul T. Zamanbekova and Makpal K. Malgazhdarova

Molecules 2025, 30(18), 3820; https://doi.org/10.3390/molecules30183820 - 19 Sep 2025

Viewed by 427

Abstract

In this study, we investigated the influence of polymer nature and support characteristics on the performance of Pd-based heterogeneous catalysts. Catalysts were prepared via sequential adsorption of poly(4-vinylpyridine) (P4VP) or chitosan (CS) and palladium ions onto MgO and SBA-15 supports under ambient conditions. [...] Read more.

In this study, we investigated the influence of polymer nature and support characteristics on the performance of Pd-based heterogeneous catalysts. Catalysts were prepared via sequential adsorption of poly(4-vinylpyridine) (P4VP) or chitosan (CS) and palladium ions onto MgO and SBA-15 supports under ambient conditions. The resulting hybrid materials were characterized by IR spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectra (XPS). TEM analysis revealed that Pd nanoparticles with an average size of 2–3 nm were well-dispersed on P4VP/MgO, while larger and less uniformly distributed particles (8–10 nm) were observed on SBA-15-based systems. Catalytic tests in the hydrogenation of 2-propen-1-ol, phenylacetylene, and 2-hexyn-1-ol under mild conditions (40 °C, 1 atm H₂, ethanol) demonstrated that both the support and polymer type significantly influence activity and selectivity. P4VP-modified catalysts outperformed CS-containing analogs in all reactions. MgO-based systems showed higher activity and selectivity in 2-propen-1-ol hydrogenation compared to SBA-15-based catalysts. The 1%Pd–P4VP/MgO catalyst exhibited the best performance, with a reaction rate of 5.2 × 10⁻⁶ mol/s, 83.4% selectivity to propanol, and stable activity over 30 consecutive runs. In phenylacetylene and 2-hexyn-1-ol hydrogenation, all catalysts showed high selectivity to styrene (93–95%) and cis-2-hexen-1-ol (96–97%), respectively. The incorporation of P4VP polymer into the Pd/MgO catalyst leads to smaller and better-distributed palladium particles, resulting in enhanced catalytic activity and stability during hydrogenation reactions. These results confirm that the choice of polymer modifier and inorganic support must be tailored to the specific reaction, enabling the design of highly active and selective polymer-modified Pd catalysts for selective hydrogenation processes under mild conditions. Full article

(This article belongs to the Special Issue Heterogeneous Catalysts: From Synthesis to Application)

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18 pages, 1951 KB

Open AccessArticle

Spatial Distribution of Minerals and Selected Bioactive Compounds in White Mold-Ripened and Blue-Veined Cheeses

by Varineja Drašler, Irena Kralj Cigić, Tomaž Polak, Gregor Marolt, Jernej Imperl, Andreja Čanžek Majhenič and Blaž Cigić

Molecules 2025, 30(18), 3819; https://doi.org/10.3390/molecules30183819 - 19 Sep 2025

Viewed by 756

Abstract

In this study, the contents of minerals, free amino acids (FAAs), biogenic amines (BAs), γ-aminobutyric acid (GABA), and spermidine (SPD) were analyzed in selected white mold-ripened and blue-veined cheeses, including their spatial distribution between rind and core. Blue-veined cheeses contained higher levels of [...] Read more.

In this study, the contents of minerals, free amino acids (FAAs), biogenic amines (BAs), γ-aminobutyric acid (GABA), and spermidine (SPD) were analyzed in selected white mold-ripened and blue-veined cheeses, including their spatial distribution between rind and core. Blue-veined cheeses contained higher levels of sodium, calcium, phosphorus, FAAs, and SPD. The BAs content was higher in cheeses produced from raw milk. Compared to the cores, the rinds of the analyzed cheeses contained more calcium (up to 66-fold), phosphate (up to 4.4-fold), zinc (up to 9.9-fold), and GABA (up to 17-fold). In white mold-ripened cheeses, where molds do not grow in the core, the rinds also contained more FAAs (up to 15-fold) and SPD (up to 127-fold). Our results confirm previous observations that the rinds of mold-ripened cheeses contain higher amounts of nutritionally valuable cations that form poorly soluble phosphate salts. To our knowledge, this study provides the first demonstration that the rinds of white mold-ripened cheeses are enriched in GABA and SPD, bioactive compounds associated with beneficial health effects. This highlights the high nutritional value of the outer layers of cheese produced with food-grade molds. Full article

(This article belongs to the Special Issue Nutritional Properties, Sensory Profile and Bioactive Components of Food, 2nd Edition)

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16 pages, 7023 KB

Open AccessArticle

Comparative Studies on Synthesis Methods of BiVO₄ for Photoelectrochemical Applications

by Dominik Caus, Katarzyna Berent, Krzysztof Mech, Andrii Naumov, Marianna Marciszko-Wiąckowska and Agnieszka Podborska

Molecules 2025, 30(18), 3818; https://doi.org/10.3390/molecules30183818 - 19 Sep 2025

Viewed by 385

Abstract

In this work, we report optical and photoelectrochemical properties of BiVO₄ synthesized by microwave, sonochemical, sol–gel, and direct deposition on conductive substrate methods. Structural and morphological characterization using XRD, SEM, and AFM confirmed the presence of both monoclinic and tetragonal phases, with [...] Read more.

In this work, we report optical and photoelectrochemical properties of BiVO₄ synthesized by microwave, sonochemical, sol–gel, and direct deposition on conductive substrate methods. Structural and morphological characterization using XRD, SEM, and AFM confirmed the presence of both monoclinic and tetragonal phases, with variations in particle size and surface roughness. UV-Vis spectroscopy revealed band gaps in the range of 2.38–2.51 eV. Photoelectrochemical performance was evaluated through measurements of photocurrents under varying illumination wavelengths and applied potentials. BiVO₄ as a thin film exhibited the highest photocurrent intensity due to its superior semiconductor–substrate contact. In contrast, BiVO₄ samples obtained as a powder showed significantly lower photocurrents but demonstrated the photocurrent switching effects, attributed to the presence of surface trap states and oxygen vacancies. The obtained results highlight the importance of synthesis strategy in tailoring BiVO₄ properties for use as a photoelectrochemical cell and suggest potential applications in molecular electronics, such as logic gates and memory devices. Full article

(This article belongs to the Special Issue Feature Papers in Photochemistry and Photocatalysis—2nd Edition)

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22 pages, 696 KB

Open AccessArticle

Application of Alkyl Polyglucosides as Components of the Extraction Medium in the Preparation of a Shampoo Cosmetic Formulation Containing Substances Isolated from Red Grape Pomace

by Tomasz Wasilewski, Zofia Hordyjewicz-Baran, Ewa Sabura, Katarzyna Malorna, Ewa Dresler, Maciej Zegarski and Natalia Stanek-Wandzel

Molecules 2025, 30(18), 3817; https://doi.org/10.3390/molecules30183817 - 19 Sep 2025

Viewed by 630

Abstract

This study highlights the use of alkyl polyglucosides (APGs) as sustainable and mild surfactants in cosmetic preparations, such as shampoos, following the principles of green chemistry and environmentally friendly development. APGs are non-ionic surfactants of plant origin. Their favorable dermatological and toxicological profile, [...] Read more.

This study highlights the use of alkyl polyglucosides (APGs) as sustainable and mild surfactants in cosmetic preparations, such as shampoos, following the principles of green chemistry and environmentally friendly development. APGs are non-ionic surfactants of plant origin. Their favorable dermatological and toxicological profile, as well as their high skin compatibility, make them an excellent alternative to conventional surfactants used in cosmetic products. To increase the sustainability and functionality of cosmetic preparations, the concept of loan extraction was applied, in which the extraction medium is borrowed from the final cosmetic formulation. After the extraction process, the medium enriched with the extracted compounds is returned to the cosmetic. The APGs, as part of cosmetic formulations, were used in the micellar extraction process of grape pomace, a by-product of wine production. The study evaluated the effect of different types of APGs—coco-glucoside and decyl glucoside—and their concentrations on extraction efficiency, measured by LC-MS/MS based on the content of phenolic compounds and amino acids, as well as the total phenolic content, total anthocyanin content and antioxidant activity assessed by UV-Vis spectroscopy. The designed extraction medium was then used to develop a shampoo, which showed a significantly lower zein value compared to the reference preparation without extract, indicating a reduced skin irritation potential. These results highlight the potential of APG in the development of milder, sustainable cosmetic products with the ability to extract bioactive components, supporting their use in the production of environmentally friendly cosmetics. Full article

(This article belongs to the Special Issue Multifunctional Natural Ingredients in Skin Protection and Care, 2nd Edition)

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27 pages, 1842 KB

Open AccessReview

Endophytic and Epiphytic Microorganisms as Biocontrol Agents: Mechanisms, Applications, and Metagenomic Approaches in Tomato Cultivation

by Phathutshedzo Rakhalaru, Beverly Mmakatane Mampholo, Tshifhiwa Paris Mamphogoro and Mapitsi Silvester Thantsha

Molecules 2025, 30(18), 3816; https://doi.org/10.3390/molecules30183816 - 19 Sep 2025

Viewed by 669

Abstract

Tomato (Solanum lycopersicum) is an essential crop worldwide, yet it remains highly vulnerable to severe fungal and bacterial diseases. Traditional chemical-based disease management strategies, aimed at controlling these diseases face increasing scrutiny, due to concerns regarding pathogen resistance, environmental degradation, and [...] Read more.

Tomato (Solanum lycopersicum) is an essential crop worldwide, yet it remains highly vulnerable to severe fungal and bacterial diseases. Traditional chemical-based disease management strategies, aimed at controlling these diseases face increasing scrutiny, due to concerns regarding pathogen resistance, environmental degradation, and potential health risks to humans. This has catalyzed the exploration of sustainable alternatives, with biological control emerging as a viable and promising strategy. Endophytic and epiphytic microorganisms are pivotal as biocontrol agents (BCAs), employing diverse strategies, such as generating antimicrobial substances, enzymes, and volatile organic compounds (VOCs), to suppress pathogen growth and enhance plant health. The efficacy of these antagonistic microorganisms is influenced by the cultivation systems employed, with significant variations observed between soil and hydroponic environments. Factors such as nutrient dynamics and microbial interactions play crucial roles in determining the success of BCAs in these different settings. The advent of metagenomic tools has transformed the landscape of microbial community research, facilitating the identification of functional genes associated with antagonistic activities and the adaptation of these microorganisms to diverse environmental conditions. This review aims to elucidate the potential of endophytic and epiphytic microorganisms in biological control, examining their mechanisms of action, the impact of cultivation systems on their effectiveness, and the application of metagenomics to optimize their use in sustainable disease management strategies for tomato crops. Full article

(This article belongs to the Special Issue Antimicrobial Compounds and Biocontrol Strategies in Food Microbiology and Safety)

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19 pages, 18018 KB

Open AccessArticle

Proteomic Insights into the Interaction of Chitosan Nanoparticles with Canine MDCK Epithelial Cells

by Lorena E. Galván-Flores, Carlos Osorio-Trujillo, Patricia Talamás-Rohana and Salvador Gallardo-Hernández

Molecules 2025, 30(18), 3815; https://doi.org/10.3390/molecules30183815 - 19 Sep 2025

Viewed by 804

Abstract

Chitosan is considered an excellent biomaterial for epithelial healing treatment. However, information on its molecular interaction with cells at a molecular level is still lacking. Thus, in the present study, homemade synthesized chitosan nanoparticles (CS NPs) and their physicochemical characterization were examined; we [...] Read more.

Chitosan is considered an excellent biomaterial for epithelial healing treatment. However, information on its molecular interaction with cells at a molecular level is still lacking. Thus, in the present study, homemade synthesized chitosan nanoparticles (CS NPs) and their physicochemical characterization were examined; we found that NPs had average sizes of 15, 30, and 125 nanometers by modifying some variables in the synthesis protocols. It is worth noting that a crystalline structure was found on the smallest NPs, with an average size of 15 nm, as observed in high-resolution transmission electron micrographs. To study the in vitro interaction of CS NPs with Madin–Darby canine kidney (MDCK) cells, co-culturing was performed, and cell viability was assessed. We found that NPs were not toxic at concentrations of up to 400 µg/mL during the first 24 h. Additionally, quantitative mass spectrometry revealed the overexpression of several proteins induced by the co-culture of CS NPs with MDCK cells, and a proteomic analysis suggested two important things: possible clathrin-mediated endocytosis could be the interaction mechanism of CS NPS with MDCK, and proteins related to cytoskeleton formation and organization were overexpressed. Moreover, wound healing assays revealed that <125 nm> CS NPs yielded the best closure rates, where mitomycin was added to make sure that only cell migration occurred. Full article

(This article belongs to the Section Bioorganic Chemistry)

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40 pages, 1588 KB

Open AccessFeature PaperReview

The Efficacy of Melatonergic Receptor Agonists Used in Clinical Practice in Insomnia Treatment: Melatonin, Tasimelteon, Ramelteon, Agomelatine, and Selected Herbs

by Kacper Żełabowski, Wojciech Pichowicz, Izabela Skowron, Jagoda Szwach, Kamil Biedka, Michał Wesołowski, Katarzyna Błaszczyk, Oliwia Ziobro, Wiktor Petrov, Wirginia Kukula-Koch and Agnieszka Chłopaś-Konowałek

Molecules 2025, 30(18), 3814; https://doi.org/10.3390/molecules30183814 - 19 Sep 2025

Viewed by 1688

Abstract

Insomnia is a common and complex disorder, rooted in the dysregulation of circadian rhythms, impaired neurotransmitter function, and disturbances in sleep–wake homeostasis. While conventional hypnotics such as benzodiazepines and Z-drugs are effective in the short term, their use is limited by a high [...] Read more.

Insomnia is a common and complex disorder, rooted in the dysregulation of circadian rhythms, impaired neurotransmitter function, and disturbances in sleep–wake homeostasis. While conventional hypnotics such as benzodiazepines and Z-drugs are effective in the short term, their use is limited by a high potential for dependence, cognitive side effects, and withdrawal symptoms. In contrast, melatonergic receptor agonists—melatonin, ramelteon, tasimelteon, and agomelatine—represent a pharmacologically targeted alternative that modulates MT1 and MT2 receptors, which are pivotal to the regulation of circadian timing and sleep initiation. Clinical evidence supports the efficacy of these agents in reducing sleep onset latency, extending total sleep duration, and re-aligning disrupted circadian rhythms, particularly among older individuals and patients with non-24 h sleep–wake disorders. Notably, agomelatine offers additional antidepressant properties through selective antagonism of the 5-HT_2C receptor in micromolar concentrations. In contrast, its agonistic activity at melatonergic receptors is observed in the low sub-nanomolar range, which illustrates the complexity of this drug’s interactions with the human body. All compounds reviewed demonstrate a generally favorable safety and tolerability profile. Accumulating evidence highlights that selected medicinal plants, such as chamomilla, lemon balm, black cumin, valeriana, passionflower and lavender, may exert relevant hypnotic or anxiolytic effects, thus complementing melatonergic strategies in the management of insomnia. This structured narrative review presents a comprehensive analysis of the molecular pharmacology, receptor affinity, signaling pathways, and clinical outcomes associated with melatonergic agents. It also examines their functional interplay with serotonergic, GABAergic, dopaminergic, and orexinergic systems involved in arousal and sleep regulation. Through comparative synthesis of pharmacokinetics and neurochemical mechanisms, this work aims to inform the development of evidence-based strategies for the treatment of insomnia and circadian rhythm sleep–wake disorders. Full article

(This article belongs to the Special Issue Antioxidant, and Anti-Inflammatory Activities of Natural Plants)

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9 pages, 636 KB

Open AccessArticle

Garcinia kola Nuts: A Molecular Cocktail for Skin Care

by Durand Dah-Nouvlessounon, Coline Fernandes, Ronald Alonso Salas Araya, Lamine Baba-Moussa, Rodica Mihaela Dinica and Ahcène Boumendjel

Molecules 2025, 30(18), 3813; https://doi.org/10.3390/molecules30183813 - 19 Sep 2025

Viewed by 431

Abstract

Garcinia kola is an emblematic tree used in traditional medicine in many regions in Africa. In particular, its nuts are commonly used for the management of various diseases. However, to the best of our knowledge, G. kola nuts have never been investigated as [...] Read more.

Garcinia kola is an emblematic tree used in traditional medicine in many regions in Africa. In particular, its nuts are commonly used for the management of various diseases. However, to the best of our knowledge, G. kola nuts have never been investigated as potential sources of active ingredients in dermocosmetics. In this paper, nuts from G. kola were investigated to shed light on the extraction, purification and characterization of three components with potential dermocosmetic applications. The nuts were subjected to extraction with different solvents, including cyclohexane, dichloromethane, ethyl acetate, and methanol. Each extract was purified by column chromatography on silica gel. Pure compounds were characterized by NMR and mass spectrometry and comparison with reported literature data. Unsaturated fatty acids were found in the cyclohexane and dichloromethane extract, garcinoic acid (a vitamin E derivative) in the dichloromethane extract, and the biflavanone GB1 in the methanol extract. The presence of unsaturated fatty acids, garcinoic acid, and biflavanone in the nuts of G. kola as dominant compounds suggests that this plant material holds potential to be used for the development of active compounds for skin care and well-being. Full article

(This article belongs to the Special Issue Biochemically Active Natural and Semisynthetic Products: Extraction, Characterization, and Application)

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21 pages, 1183 KB

Open AccessArticle

Effect of Different Arnica montana L. Plant Parts on the Essential Oil Composition, Antimicrobial Activity, and Synergistic Interactions with Antibiotics

by Piotr Sugier, Danuta Sugier, Małgorzata Miazga-Karska, Aleksandra Nurzyńska, Beata Król, Łukasz Sęczyk and Radosław Kowalski

Molecules 2025, 30(18), 3812; https://doi.org/10.3390/molecules30183812 - 19 Sep 2025

Viewed by 505

Abstract

Arnica montana L. (mountain arnica) is a medicinal plant with diverse biological activities commonly used in pharmacy and cosmetics. The attributes of A. montana are related to e.g., the concentration and chemical composition of its essential oils (EOs). Therefore, the objective of this [...] Read more.

Arnica montana L. (mountain arnica) is a medicinal plant with diverse biological activities commonly used in pharmacy and cosmetics. The attributes of A. montana are related to e.g., the concentration and chemical composition of its essential oils (EOs). Therefore, the objective of this study was to: (i) characterize the chemical composition of EOs obtained from mountain arnica flower heads, rhizomes, and roots used as a pharmacopoeial material, (ii) demonstrate the effects of particular EO types and their combinations on antibacterial activity, and (iii) demonstrate the effect of the presence of A. montana EOs and their combinations with commercial antibiotics on their antibacterial activity. Essential oils obtained by hydrodistillation from different parts of A. montana were screened for their chemical composition and antibacterial properties. The chemical composition of the EOs was determined using the GC–MS technique. E-caryophyllene, caryophyllene oxide, germacrene D, farnesyl acetate, and dodecanal were the main components of the EO distilled from the flower heads. In turn, 2,5-dimethoxy-p-cymene, 2,6-diisopropylanisole, p-methoxyheptanophenone, and thymol methyl ether were the main molecules detected in the EO from the A. montana rhizomes and roots. The data clearly indicate that the presence of mountain arnica EO alone and in the interaction with commercial antibiotics (amoxicillin, ciprofloxacin, metronidazole) has a beneficial effect on their antibacterial activity. Full article

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

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15 pages, 3885 KB

Open AccessArticle

s-Triazine-Based Ligands Possessing Identical Heteroatom-Bridged Substituents—Unexpected Triazine-O Bond Cleavage

by Vanya B. Kurteva, Rusi I. Rusew, Zhanina S. Petkova, Magdalena Angelova and Boris L. Shivachev

Molecules 2025, 30(18), 3811; https://doi.org/10.3390/molecules30183811 - 19 Sep 2025

Viewed by 468

Abstract

Metal–organic frameworks (MOFs) are materials with extremely valuable properties. The latter depend largely on the ligand used; therefore, the design of new organic linkers is a priority task today. A series of s-triazines possessing variable heteroatom-bridged identical substituents, useful ligands for the [...] Read more.

Metal–organic frameworks (MOFs) are materials with extremely valuable properties. The latter depend largely on the ligand used; therefore, the design of new organic linkers is a priority task today. A series of s-triazines possessing variable heteroatom-bridged identical substituents, useful ligands for the synthesis of MOFs, is obtained in good to excellent yields. The problem of obtaining free carboxyl groups without forming salts with nitrogen atoms is solved. The products are characterized by NMR spectra and single crystal XRD of selected samples. Unexpected O-triazine bond cleavage under basic hydrolysis conditions is observed. Full article

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

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