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Natural and Designed Cyclic Peptides as Potential Antiviral Drugs to Combat Future Coronavirus Outbreaks
Heavy Metals in Particulate Matter—Trends and Impacts on Environment
Protein O-Fucosyltransferases: Biological Functions and Molecular Mechanisms in Mammals
Theoretical Insights into the Impact of Pyrrole and Imidazole Substituents on the BODIPY Chromophore

Journal Description

Molecules

Molecules is the leading international, peer-reviewed, open access journal of chemistry. Molecules is published semimonthly online by MDPI. The International Society of Nucleosides, Nucleotides & Nucleic Acids (IS3NA), the Spanish Society of Medicinal Chemistry (SEQT) and the International Society of Heterocyclic Chemistry (ISHC) are affiliated with Molecules and their members receive a discount on the article processing charges.

Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
High Visibility: indexed within Scopus, SCIE (Web of Science), PubMed, MEDLINE, PMC, Reaxys, CaPlus / SciFinder, MarinLit, AGRIS, and other databases.
Journal Rank: JCR - Q2 (Biochemistry and Molecular Biology) / CiteScore - Q1 (Organic Chemistry)
Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 16.1 days after submission; acceptance to publication is undertaken in 2.6 days (median values for papers published in this journal in the first half of 2025).
Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
Sections: published in 25 topical sections.
Testimonials: See what our editors and authors say about Molecules.
Companion journal: Foundations.
Journal Cluster of Chemical Reactions and Catalysis: Catalysts, Chemistry, Electrochem, Inorganics, Molecules, Organics, Oxygen, Photochem, Reactions, Sustainable Chemistry.

Impact Factor: 4.6 (2024); 5-Year Impact Factor: 5.0 (2024)

Imprint Information Journal Flyer Open Access ISSN: 1420-3049

Latest Articles

5 pages, 182 KiB

Open AccessEditorial

Inhibitors of Proteases: A Well-Grounded Strategy in Drug Development

by Santo Previti and Roberta Ettari

Molecules 2025, 30(14), 2909; https://doi.org/10.3390/molecules30142909 (registering DOI) - 10 Jul 2025

Enzymes are biocatalysts that are widespread in living organisms [...] Full article

(This article belongs to the Special Issue Design, Synthesis and Structure-Activity Relationship of Biologically Active Inhibitors)

14 pages, 633 KiB

Open AccessReview

Recent Advances in Amyloids Structural Studies and Thin Film Applications

by Eugenia Pechkova, Stefano Fiordoro, Alberto Izzotti and Christian Riekel

Molecules 2025, 30(14), 2908; https://doi.org/10.3390/molecules30142908 (registering DOI) - 9 Jul 2025

Amyloids are protein-based biomaterials composed of fibrils with cross-β cores. Previously only associated with degenerative diseases, such as Parkinson’s disease, Alzheimer’s disease, and diabetes, amyloids remain active and functional both in vivo and in vitro conditions, enabling a variety of applications in medicine, [...] Read more.

Amyloids are protein-based biomaterials composed of fibrils with cross-β cores. Previously only associated with degenerative diseases, such as Parkinson’s disease, Alzheimer’s disease, and diabetes, amyloids remain active and functional both in vivo and in vitro conditions, enabling a variety of applications in medicine, nanotechnology, and biotechnology. This review aims to review the most advanced methods for amyloid fibril structural studies, with special attention on amyloid thin films. Selected advances of biomedical and biotechnological relevance will be outlined, and perspectives for future studies in the context of ongoing methodological progress will be discussed. Full article

(This article belongs to the Special Issue Modifications of Biomacromolecules and Their Structure with Functional Properties)

26 pages, 5302 KiB

Open AccessFeature PaperReview

Tetracyclic Bis-Piperidine Alkaloids: Structures, Bioinspired Synthesis, Synthesis, and Bioactivities

by Stan Iridio Gómez, Esveidy Isabel Oceguera Nava, Abbas Dadawalla, Dennis Ashong, Guanglin Chen and Qiao-Hong Chen

Molecules 2025, 30(14), 2907; https://doi.org/10.3390/molecules30142907 (registering DOI) - 9 Jul 2025

Tetracyclic bis-piperidine alkaloids (TcBPAs) are structurally complex natural products primarily isolated from marine sponges of the order Haplosclerida. Distinguished by their intricate architecture, TcBPAs feature two central piperidine units linked by dual macrocyclic rings. These unique structural motifs contribute significantly to their biological [...] Read more.

Tetracyclic bis-piperidine alkaloids (TcBPAs) are structurally complex natural products primarily isolated from marine sponges of the order Haplosclerida. Distinguished by their intricate architecture, TcBPAs feature two central piperidine units linked by dual macrocyclic rings. These unique structural motifs contribute significantly to their biological activities. For example, TcBPAs exhibit antiproliferative activities at low micromolar concentrations across various cancer cell lines, including leukemia, melanoma, breast, colon, fibrosarcoma, and glioblastoma. Despite this promising therapeutic profile, the structural intricacy of TcBPAs has posed considerable challenges to the development of efficient synthetic methodologies, thereby limiting comprehensive exploration and potential clinical advancement. This review highlights recent progress and persisting challenges in the synthesis, structural analysis, and biological evaluation of TcBPAs, underscoring their therapeutic potential in anticancer drug discovery. Full article

(This article belongs to the Special Issue Synthesis of Bioactive Compounds, 3rd Edition)

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18 pages, 1024 KiB

Open AccessArticle

Towards Understanding the Basis of Brucella Antigen–Antibody Specificity

by Amika Sood, David R. Bundle and Robert J. Woods

Molecules 2025, 30(14), 2906; https://doi.org/10.3390/molecules30142906 (registering DOI) - 9 Jul 2025

Brucellosis continues to be a significant global zoonotic infection, with diagnosis largely relying on the detection of antibodies against the Brucella O-polysaccharide (O-PS) A and M antigens. In this study, computational methods, including homology modeling, molecular docking, and molecular dynamics simulations, were applied [...] Read more.

Brucellosis continues to be a significant global zoonotic infection, with diagnosis largely relying on the detection of antibodies against the Brucella O-polysaccharide (O-PS) A and M antigens. In this study, computational methods, including homology modeling, molecular docking, and molecular dynamics simulations, were applied to investigate the interaction of the four murine monoclonal antibodies (mAbs) YsT9.1, YsT9.2, Bm10, and Bm28 with hexasaccharide fragments of the A and M epitopes. Through stringent stability criteria, based on interaction energies and mobility of the antigens, high-affinity binding of A antigen with YsT9.1 antibody and M antigen with Bm10 antibody was predicted. In both the complexes hydrophobic interactions dominate the antigen–antibody binding. These findings align well with experimental epitope mapping, indicating YsT9.1′s preference for internal sequences of the A epitope and Bm10′s preference for internal elements of the M epitope. Interestingly, no stable complexes were identified for YsT9.2 or Bm28 interacting with A or M antigen. This study provides valuable insights into the mechanism of molecular recognition of Brucella O-antigens that can be applied for the development of improved diagnostics, synthetic glycomimetics, and improved vaccine strategies. Full article

(This article belongs to the Special Issue Contemporary Synthetic Glycoscience: A Theme Issue Dedicated to the Memory of Hans Paulsen)

18 pages, 5167 KiB

Open AccessArticle

Highly Efficient Photocatalytic Degradation of Tetracycline Antibiotics by BiPO₄/g-C₃N₄: A Novel Heterojunction Nanocomposite with Nanorod/Stacked-like Nanosheets Structure

by Xin Zhu, Moye Luo, Cheng Sun, Jinlin Jiang and Yang Guo

Molecules 2025, 30(14), 2905; https://doi.org/10.3390/molecules30142905 (registering DOI) - 9 Jul 2025

The use of semiconductors for photocatalytic degradation of organic pollutants has garnered considerable attention as a promising solution to environmental challenges. Compared to TiO₂, BiPO₄ exhibits superior photocatalytic activity. However, its large band gap restricts its light absorption to the [...] Read more.

The use of semiconductors for photocatalytic degradation of organic pollutants has garnered considerable attention as a promising solution to environmental challenges. Compared to TiO₂, BiPO₄ exhibits superior photocatalytic activity. However, its large band gap restricts its light absorption to the UV region. One effective technique for extending BiPO₄’s absorption wavelength into the visible spectrum is the construction of the heterostructure. This study aimed to synthesize monodisperse BiPO₄ nanorods via a solvothermal approach and fabricate BiPO₄/g-C₃N₄ heterojunctions with varying loadings through in situ deposition. Tetracyclines were employed as the target pollutant to evaluate the photocatalytic performance and stability of the prepared materials. The results indicated that 5 wt% of composite exhibited better photocatalytic performance than single catalysts, which showed the highest photodegradation efficiency of approximately 98% for tetracyclines. The prepared bi-photocatalyst presented favorable stability under sunlight irradiation, the photocatalytic activity of which remained almost unchanged after four cycles. The enhanced photocatalytic activity was attributed to the synergistic effect. Additionally, the possible degradation mechanism was elucidated utilizing the semiconductor energy band theory. Overall, this work presents new perspectives on synthesizing innovative and efficient visible-light-driven photocatalysts. It also offers a mechanistic analysis approach by integrating theoretical calculations with experimental observations. Full article

(This article belongs to the Special Issue Advances in Photocatalytic Degradation of Organic Pollutants)

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18 pages, 781 KiB

Open AccessFeature PaperArticle

Technical Lignins Antibacterial Effects Against Environmental Mastitis Pathogens Across Various Levels of Bedding Cleanliness In Vitro

by Godloves M. Oppong, Diana C. Reyes, Zhengxin Ma, Santiago A. Rivera, Marjorie A. Killerby, Diego Zamudio, Anne B. Lichtenwalner and Juan J. Romero

Molecules 2025, 30(14), 2904; https://doi.org/10.3390/molecules30142904 (registering DOI) - 9 Jul 2025

This study aimed to evaluate the antibacterial activity of several technical lignins against major environmental bacteria that cause mastitis in dairy cattle. The efficacy of four types of technical lignins against environmental mastitis pathogens was evaluated using MIC and MBC assays. The best [...] Read more.

This study aimed to evaluate the antibacterial activity of several technical lignins against major environmental bacteria that cause mastitis in dairy cattle. The efficacy of four types of technical lignins against environmental mastitis pathogens was evaluated using MIC and MBC assays. The best candidate, sodium lignosulfonate (NaL-O), was further tested using sawdust bedding substrates. Substrates were prepared in different cleanliness conditions: sawdust only, sawdust plus urine, sawdust plus feces, or sawdust plus a combination of both. The antimicrobial activity of NaL-O against the mixture of environmental mastitis-causing pathogens was determined on days 0, 2, and 6 of incubation. In addition, the components of bedding substrates were analyzed to help understand the dynamics of pathogen loads. In the MIC and MBC assays, NaL-O showed the best antimicrobial performance against all pathogens except Escherichia coli. When testing in the bedding substrates, the addition of NaL-O decreased the concentration of Staphylococcus chromogenes, Streptococcus uberis, and Pseudomonas aeruginosa across all bedding cleanliness levels at d 0, 2, and 6 of incubation. As the incubation time increased, the antimicrobial effect decreased. NaL-O also lowered the counts of E. coli and Klebsiella pneumoniae across all incubation times, but to a lesser extent. The presence of feces significantly reduced the antibacterial effects of NaL-O for these two bacteria. Among the technical lignins tested, NaL-O showed the broadest antibacterial activity against the mastitis pathogens tested. This study suggests that NaL-O has promising potential as a bedding conditioner to control environmental pathogens on dairies due to its low cost, ready availability, and compatibility with sustainable livestock practices. Combined with bedding cleanliness, bedding conditioner application may play a crucial role in reducing the growth of EM pathogens and subsequent mastitis incidence. Full article

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22 pages, 5259 KiB

Open AccessArticle

Ameliorating Effect of Glehnia littoralis Extract on Periodontitis Through Regulation of 11β-Hydroxysteroid Dehydrogenase Type 1 in an Experimental Periodontitis Model

by Eun-Nam Kim, Nguyen Minh Trang, Chae Lee Park, Sang-Yoon Kim, MinKyun Na and Gil-Saeng Jeong

Molecules 2025, 30(14), 2903; https://doi.org/10.3390/molecules30142903 (registering DOI) - 9 Jul 2025

Glehnia littoralis Fr. Schmidt ex Miq. has been cultivated in China for a long time and used as a medicinal plant called “Beishashen” in traditional Chinese medicine and has been traditionally known to have antibacterial and anti-inflammatory effects, but its direct role in [...] Read more.

Glehnia littoralis Fr. Schmidt ex Miq. has been cultivated in China for a long time and used as a medicinal plant called “Beishashen” in traditional Chinese medicine and has been traditionally known to have antibacterial and anti-inflammatory effects, but its direct role in periodontitis has not been known. Currently used periodontal treatments require long-term administration, which causes many side effects. Therefore, in this study, we evaluated the effects of G. littoralis extract (GLE) on periodontitis in an experimental periodontitis-induced in vitro and vivo model and understood its potential molecular mechanism. The effect of GLE on periodontitis in vitro was investigated using human periodontal ligament (HPDL) cells mediated by PG-LPS. Additionally, a ligature-induced periodontitis model and a PG-LPS-induced periodontal inflammation model were used to investigate the effect of GLE in vivo. In vitro study results showed that GLE down-regulated the increased inflammatory cytokines and mediators in HPDL cells stimulated with PG-LPS, and simultaneously down-regulated the levels of 11β-HSD1 and glucocorticoid receptor (GR), thereby alleviating periodontal inflammation. At the same time, it restored the lost osteoblast differentiation potential of HPDL cells. In addition, in an in vivo model representatively used for periodontitis research, the periodontal inflammation-alleviating effect and the effect of restoring or protecting damaged periodontal tissue were confirmed. GLE can be considered as a new periodontitis treatment agent through regulating 11β-HSD1. Full article

(This article belongs to the Special Issue Nutritional Components of Non-Animal Origin Foods: Structure, Synthesis, Functions and Mechanisms)

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18 pages, 2185 KiB

Open AccessArticle

Halogen Migration in the Photofragmentation of Halothane

by Anna Rita Casavola, Filippo Morini, Mattea Carmen Castrovilli, Jacopo Chiarinelli, Laura Carlini, Antonella Cartoni, Daniele Catone, Paola Bolognesi, Robert Richter, Bratislav Marinkovic, Sanja Tosic and Lorenzo Avaldi

Molecules 2025, 30(14), 2902; https://doi.org/10.3390/molecules30142902 (registering DOI) - 9 Jul 2025

The photofragmentation of halothane (CF₃CHBrCl) was studied with synchrotron radiation by photoionization efficiency (PIE) measurements and photoelectron–photoion coincidence (PEPICO) experiments, as well as by a theoretical exploration of potential energy surfaces. Among the other fragments, the formation of the CHClF⁺ [...] Read more.

The photofragmentation of halothane (CF₃CHBrCl) was studied with synchrotron radiation by photoionization efficiency (PIE) measurements and photoelectron–photoion coincidence (PEPICO) experiments, as well as by a theoretical exploration of potential energy surfaces. Among the other fragments, the formation of the CHClF⁺ and CHBrF⁺ ions, which involves the transfer of a F atom between the two moieties of the parent molecule, was observed. To understand the mechanisms leading to the halogen migration, a detailed theoretical study of the production of CHClF⁺, m/z 67⁺, based on DFT calculations and natural bond orbital (NBO) analysis was conducted. The results contribute to the understanding of the photochemistry of halothane, its polluting behavior in the high atmosphere, and the formation of highly reactive species. Full article

(This article belongs to the Special Issue Molecular Reactivity: Theoretical Study and Interpretation of Experimental Results—2nd Edition)

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23 pages, 3707 KiB

Open AccessArticle

Structural and Functional Profiling of Water-Extracted Polypeptides from Periplaneta americana: A Multifunctional Cosmetic Bioactive Agent with Antioxidative and Anti-Inflammatory Properties

by Xinyu Sun, Zhengyang Zhang, Jingyao Qu, Deyun Yao, Zeyuan Sun, Jingyi Zhou, Jiayuan Xie, Mingyang Zhou, Xiaodeng Yang and Ling Wang

Molecules 2025, 30(14), 2901; https://doi.org/10.3390/molecules30142901 (registering DOI) - 9 Jul 2025

Low-molecular-weight polypeptides (<3 kDa) were prepared from Periplaneta americana via enzymatic hydrolysis and ultrafiltration, yielding 3.53 ± 0.01 mg/g of peptide-rich extract. The extract was primarily composed of peptides, proteins, polysaccharides, phenolics, and flavonoids. HPLC-MS analysis identified 1402 peptide sequences, 80.51% of which [...] Read more.

Low-molecular-weight polypeptides (<3 kDa) were prepared from Periplaneta americana via enzymatic hydrolysis and ultrafiltration, yielding 3.53 ± 0.01 mg/g of peptide-rich extract. The extract was primarily composed of peptides, proteins, polysaccharides, phenolics, and flavonoids. HPLC-MS analysis identified 1402 peptide sequences, 80.51% of which were below 1000 Da, predominantly consisting of tri-, tetra-, and octapeptides. Monosaccharide profiling detected D-(+)-galactose, and quantitative assays determined the contents of total phenolics (12.28 mg/g), flavonoids (15.50 mg/g), proteins (85.84 mg/g), and total sugars (17.62 mg/g). The biological activities of the extract were systematically evaluated. The peptide fraction inhibited hyaluronidase activity by 58% at 5 mg/mL, suggesting protection of extracellular matrix integrity. In HaCaT keratinocytes, it promoted cell proliferation by 62.6%, accelerated scratch wound closure by 54%, upregulated Wnt-10b and β-catenin expression, and reduced intracellular ROS levels under oxidative stress. In LPS-stimulated RAW 264.7 macrophages, the extract decreased TNF-α, IL-6, and IL-1β production by 30%, 25%, and 28%, respectively, reduced MDA levels by 35.2%, and enhanced CAT and SOD activities by 12.3% and 60.3%. In vivo, complete closure of full-thickness skin wounds in mice was achieved by day 14. Safety evaluations using the chick chorioallantoic membrane assay and human patch tests confirmed the extract to be non-irritating and non-toxic. These findings highlight Periplaneta americana extract as a promising multifunctional bioactive ingredient for cosmetic and dermatological applications. Further studies on its active components, mechanisms of action, and clinical efficacy are warranted to support its development in skin health and aesthetic medicine. Full article

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20 pages, 2076 KiB

Open AccessArticle

Selection of Roasting Conditions in the Valorization Process of Cornelian Cherry Stones

by Radosław Spychaj, Dominika Przybylska, Małgorzata Szachniewicz, Narcyz Piórecki and Alicja Z. Kucharska

Molecules 2025, 30(14), 2900; https://doi.org/10.3390/molecules30142900 - 8 Jul 2025

The aim of the study was to assess the effect of time (20–50 min) and temperature (160–220 °C) of roasting on the physicochemical and antioxidant properties of cornelian cherry (Cornus mas L.) stones and to select extraction solvents (water and 50% and [...] Read more.

The aim of the study was to assess the effect of time (20–50 min) and temperature (160–220 °C) of roasting on the physicochemical and antioxidant properties of cornelian cherry (Cornus mas L.) stones and to select extraction solvents (water and 50% and 80% methanol) to obtain reliable results. To maintain the highest content of bioactive compounds with a high level of antioxidant properties, roasting at a temperature of 160–180 °C for 30–40 min should be considered optimal. Incorrect selection of roasting parameters (>40 min and >200 °C) causes a significant reduction in the bioactive properties of roasted stones. Regression analysis showed a different nature of changes in the determined features during the roasting process at 160 °C than at other temperatures. The use of methanol, especially at a high concentration (80%), to assess the content of bioactive compounds in roasted cornelian cherry stones provides more reliable results. Full article

(This article belongs to the Section Natural Products Chemistry)

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22 pages, 3155 KiB

Open AccessArticle

Cascade Reactions of Indigo with an Allenylic Reactant

by Dyah U. C. Rahayu, Christopher Richardson, John B. Bremner and Paul A. Keller

Molecules 2025, 30(14), 2899; https://doi.org/10.3390/molecules30142899 - 8 Jul 2025

The base-enabled reaction of buta-2,3-dien-1-yl methanesulfonate with the readily available and cheap dye indigo resulted in the convenient one-pot synthesis of benzoindolonaphthyridinedione and benzoazepinopyridoindolediones, with the latter representing two novel heterocyclic scaffolds. Despite the low yields, the allenylic alkylation of indigo significantly contributes [...] Read more.

The base-enabled reaction of buta-2,3-dien-1-yl methanesulfonate with the readily available and cheap dye indigo resulted in the convenient one-pot synthesis of benzoindolonaphthyridinedione and benzoazepinopyridoindolediones, with the latter representing two novel heterocyclic scaffolds. Despite the low yields, the allenylic alkylation of indigo significantly contributes to the new chemistry of this compound, providing new mechanistic insights and reactivity boundaries. Full article

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

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13 pages, 2502 KiB

Open AccessArticle

Methylsteric Effects Enhance Fluorescence in Diphenylfumaronitrile AIEgens

by Zihao Xu, Wenwen Ma, Yuchen Song, Yu Tian, Fang Hu, Wenbo Wu and Liu Cai

Molecules 2025, 30(14), 2898; https://doi.org/10.3390/molecules30142898 - 8 Jul 2025

The development of fluorophores with high-fluorescence quantum yields is highly desirable. To regulate photophysical properties, previous fumaronitrile-core fluorophore designs primarily employed electron-donating structure modifications and π-conjugation extension strategies. Here, we report a novel strategy to enhance the fluorescence performance of fluorophores by introducing [...] Read more.

The development of fluorophores with high-fluorescence quantum yields is highly desirable. To regulate photophysical properties, previous fumaronitrile-core fluorophore designs primarily employed electron-donating structure modifications and π-conjugation extension strategies. Here, we report a novel strategy to enhance the fluorescence performance of fluorophores by introducing methyl groups into fumaronitrile phenyl rings. The introduction of methyl groups reduces the ability to generate reactive oxygen species while enhancing the fluorescence quantum yield. Notably, after encapsulating DSPE-PEG2000 to form nanoparticles, TFN-Me nanoparticles exhibited superior fluorescence performance than previously reported fluorophores and successfully applied in in vivo tumor fluorescence imaging. This study indicates that the methyl introduction strategy holds the potential to become a powerful tool for developing high-brightness fluorophores with fumaronitrile structure. Full article

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20 pages, 5068 KiB

Open AccessArticle

Self-Powered Photodetectors with Ultra-Broad Spectral Response and Thermal Stability for Broadband, Energy Efficient Wearable Sensing and Optoelectronics

by Peter X. Feng, Elluz Pacheco Cabrera, Jin Chu, Badi Zhou, Soraya Y. Flores, Xiaoyan Peng, Yiming Li, Liz M. Diaz-Vazquez and Andrew F. Zhou

Molecules 2025, 30(14), 2897; https://doi.org/10.3390/molecules30142897 - 8 Jul 2025

This work presents a high-performance novel photodetector based on two-dimensional boron nitride (BN) nanosheets functionalized with gold nanoparticles (Au NPs), offering ultra-broadband photoresponse from 0.25 to 5.9 μm. Operating in both photovoltaic and photoconductive modes, the device features rapid response times (<0.5 ms), [...] Read more.

This work presents a high-performance novel photodetector based on two-dimensional boron nitride (BN) nanosheets functionalized with gold nanoparticles (Au NPs), offering ultra-broadband photoresponse from 0.25 to 5.9 μm. Operating in both photovoltaic and photoconductive modes, the device features rapid response times (<0.5 ms), high responsivity (up to 1015 mA/W at 250 nm and 2.5 V bias), and thermal stability up to 100 °C. The synthesis process involved CO₂ laser exfoliation of hexagonal boron nitride, followed by gold NP deposition via RF sputtering and thermal annealing. Structural and compositional analyses confirmed the formation of a three-dimensional network of atomically thin BN nanosheets decorated with uniformly distributed gold nanoparticles. This architecture facilitates plasmon-enhanced absorption and efficient charge separation via heterojunction interfaces, significantly boosting photocurrent generation across the deep ultraviolet (DUV), visible, near-infrared (NIR), and mid-infrared (MIR) spectral regions. First-principles calculations support the observed broadband response, confirming bandgap narrowing induced by defects in h-BN and functionalization by gold nanoparticles. The device’s self-driven operation, wide spectral response, and durability under elevated temperatures underscore its strong potential for next-generation broadband, self-powered, and wearable sensing and optoelectronic applications. Full article

(This article belongs to the Special Issue Novel Nanomaterials: Sensing Development and Applications)

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20 pages, 4395 KiB

Open AccessArticle

New 3D Spiral Microfluidic Platform Tested for Fe₃O₄@SA Nanoparticle Synthesis

by Elena-Theodora Moldoveanu, Adelina-Gabriela Niculescu, Dana-Ionela Tudorache (Trifa), Alina Moroșan, Alexandra-Cătălina Bîrcă, Bogdan-Ștefan Vasile, Ariana Hudita, Dan-Eduard Mihaiescu, Tony Hadibarata and Alexandru-Mihai Grumezescu

Molecules 2025, 30(14), 2896; https://doi.org/10.3390/molecules30142896 (registering DOI) - 8 Jul 2025

Due to the need for reproducible, scalable, and environmentally friendly nanomaterial synthesis methods, an increasing amount of scientific interest revolves around microfluidic technologies. In this context, the present paper proposes a new three-dimensional (3D) spiral microfluidic platform designed and tested for the simultaneous [...] Read more.

Due to the need for reproducible, scalable, and environmentally friendly nanomaterial synthesis methods, an increasing amount of scientific interest revolves around microfluidic technologies. In this context, the present paper proposes a new three-dimensional (3D) spiral microfluidic platform designed and tested for the simultaneous synthesis and surface functionalization of magnetite (Fe₃O₄) nanoparticles with salicylic acid (SA). The microreactor was fabricated from overlaid polymethylmethacrylate (PMMA) sheets and assembled into a compact, reusable chip architecture, allowing continuous reagent mixing and enhanced hydrodynamic control. The performed physicochemical analyses confirmed that on-chip synthesized Fe₃O₄@SA NPs exhibit crystallinity, a uniform spherical morphology, a narrow size distribution, excellent colloidal stability, and successful surface functionalization. In vitro cytotoxicity assays using MRC-5 lung fibroblasts and HaCaT keratinocytes revealed a concentration-dependent response, identifying a safe dose range below 610 µg/mL. The integrated design, efficient synthesis, and favorable biocompatibility profile position this 3D microfluidic platform as a promising tool for scalable nanomaterial production in biomedical and environmental applications. Full article

(This article belongs to the Topic Functional Materials: Cross-Scale Innovations from Molecular Design to Macroscopic Applications)

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17 pages, 1946 KiB

Open AccessArticle

Geographic Influence and Metabolomics-Driven Discovery of 5-Alpha Reductase Inhibitors in Tectona grandis L.f. (Teak) Leaves

by Nutchaninad Tanuphol, Corine Girard, Prapapan Temkitthawon, Nungruthai Suphrom, Nitra Nuengchamnong, Tongchai Saesong, Kamonlak Insumrong, Abdulaziz Wadeng, Wiyada Khangkhachit, Andy Zedet, Ratchadaree Intayot, Siriporn Jungsuttiwong, Anuchit Plubrukarn, Francois Senejoux and Kornkanok Ingkaninan

Molecules 2025, 30(14), 2895; https://doi.org/10.3390/molecules30142895 - 8 Jul 2025

The inhibition of steroid 5-alpha reductase (S5AR), a key mechanism for managing dihydrotestosterone-dependent conditions, has been demonstrated in teak (Tectona grandis L.f.) leaf extracts. Our recent clinical study confirmed the effectiveness of a hair growth formulation containing teak leaf extract in males [...] Read more.

The inhibition of steroid 5-alpha reductase (S5AR), a key mechanism for managing dihydrotestosterone-dependent conditions, has been demonstrated in teak (Tectona grandis L.f.) leaf extracts. Our recent clinical study confirmed the effectiveness of a hair growth formulation containing teak leaf extract in males with androgenic alopecia. However, significant variability in S5AR inhibitory activity among teak leaf samples from different regions underscores the need for quality control of raw materials. This study applied a metabolomics approach to investigate the influence of leaf age, harvesting period, and geographic origin on chemical composition and S5AR inhibitory activity, as well as to identify active S5AR inhibitors. Geographic origin emerged as the primary determinant of variations in chemical profiles and S5AR inhibitory activity. Using orthogonal partial least squares analysis, six diterpenoid S5AR inhibitors were identified, including four compounds reported for the first time as S5AR inhibitors: rhinocerotinoic acid, 7-oxo-8-labden-15-oic acid, 8-hydroxy-labd-13-en-15-oic acid, and a novel diterpene, 7-hydroxy-labd-8,13-dien-15-oic acid. These findings highlight the potential of metabolomics as a powerful tool for discovering bioactive compounds and optimizing raw material selection. By prioritizing proven geographic sources, consistent bioactivity can be achieved, supporting the therapeutic potential of teak leaves in managing S5AR-related conditions. Full article

(This article belongs to the Special Issue Bioactive Compounds from Roots, Stems, Leaves, Flowers, Fruits, and Seeds: 2nd Edition)

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20 pages, 5770 KiB

Open AccessArticle

In Vitro Evaluation of the Protective Efficacy of Crocus sativus L. Waste for the Sustainable Development of Bioactive Phytocomplexes

by Alessia Galante, Francesca Corsi, Emily Cioni, Mauro Di Stasi, Maria Anna Maggi, Silvia Bisti, Ilaria Piano and Claudia Gargini

Molecules 2025, 30(14), 2894; https://doi.org/10.3390/molecules30142894 - 8 Jul 2025

Saffron, branded as Repron^®, is effective in slowing the progression of several neurodegenerative diseases. Its production, however, requires specific cultivation techniques and procedures that, together with low yields, make it expensive. To address this challenge, hydroponic cultivation has been adopted. Previous [...] Read more.

Saffron, branded as Repron^®, is effective in slowing the progression of several neurodegenerative diseases. Its production, however, requires specific cultivation techniques and procedures that, together with low yields, make it expensive. To address this challenge, hydroponic cultivation has been adopted. Previous studies have shown that hydroponically cultivated saffron and Repron^® share comparable chemical compositions and neuroprotective effects under oxidative stress conditions. In this study, we evaluated the protective properties of extracts derived from Crocus sativus L. waste, compared with those of saffron derived from stigmas. Human retinal pigment epithelium (ARPE-19) cells were pre-treated with extracts of various plant waste fractions before being subjected to three stress conditions: H₂O₂-induced oxidative stress (500 μM, 3 h), lipopolysaccharide (LPS; 0.25 mg/mL, 24 h), and hyperglycemia (25 mM glucose, 96 h). Saffron Repron^® served as a positive control. The results revealed that the extract derived from C. sativus waste had superior protective effects against oxidative stress and inflammation by preserving the state of the mitochondria and tight junctions (ZO-1); conversely, the tepal extract alone was more effective under hyperglycemic conditions by also modulating acrolein levels. These results suggest that different plant fractions contain bioactive compounds with specific protective actions, which together lead to increased cell survival. Full article

(This article belongs to the Special Issue Crocus sativus L. Extract and Its Constituents: Chemistry, Pharmacology and Therapeutic Potential, 2nd Edition)

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15 pages, 805 KiB

Open AccessArticle

Preliminary Characterization of Glyceride Oil Content and Tocopherol Composition in Seeds from Selected Wild Plant Species of the Bulgarian Flora

by Zhana Petkova, Ginka Antova, Hristina Kulina, Olga Teneva and Maria Angelova-Romova

Molecules 2025, 30(14), 2893; https://doi.org/10.3390/molecules30142893 - 8 Jul 2025

Tocopherols, due to their antioxidant properties, are valuable compounds in the food and pharmaceutical industries. The present study compares the glyceride oil content and tocopherol profile of seeds of 49 plant species from 39 families of Bulgarian wild flora to identify their potential [...] Read more.

Tocopherols, due to their antioxidant properties, are valuable compounds in the food and pharmaceutical industries. The present study compares the glyceride oil content and tocopherol profile of seeds of 49 plant species from 39 families of Bulgarian wild flora to identify their potential industrial and nutritional applications. The oils were extracted using the Soxhlet apparatus, and the tocopherol and tocotrienol composition was established by high-performance liquid chromatography (HPLC). Hierarchical cluster analysis was performed to group the plants based on their tocopherol profile. The results show high variability in the content of glyceride oils (ranging from 0.5% to 40.6%) and tocopherol profiles among species, even among plants within the same family. Four clusters were identified, each of which was characterized by the dominance of one of the tocopherol or tocotrienol isomers, i.e., α-tocopherol or γ-tocopherol, and reflected the chemical diversity of the examined plants. The statistical analysis confirmed that tocopherols and tocotrienols are significant factors influencing cluster grouping. The results reflect natural variability among species grown under field conditions, influenced by both genetic and environmental factors. This study provides valuable preliminary information for identifying wild species with promising tocopherol profiles for future functional research. Full article

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

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23 pages, 697 KiB

Open AccessArticle

Preparation, Physicochemical Properties and Stability of Anthocyanin Nanoliposomes Before and After Double-Layer Modification Using Synanthrin and Pea Protein Isolate

by Lianlian Zhang, Aniya, Shengping Xing, Jing Li, Ying Liu, Chaozhi Li, Jianhang Zhu, Yan Li and Xiaoji Fu

Molecules 2025, 30(14), 2892; https://doi.org/10.3390/molecules30142892 - 8 Jul 2025

Anthocyanins (ACNs), characterized by their polyhydroxy structures, exhibit high susceptibility to external environmental factors, which significantly limits their application in the food and industrial sectors. To enhance the stability of anthocyanins, anthocyanin nanoliposomes (ACN-NLs) were developed, with encapsulation efficiency, particle size and zeta [...] Read more.

Anthocyanins (ACNs), characterized by their polyhydroxy structures, exhibit high susceptibility to external environmental factors, which significantly limits their application in the food and industrial sectors. To enhance the stability of anthocyanins, anthocyanin nanoliposomes (ACN-NLs) were developed, with encapsulation efficiency, particle size and zeta potential serving as key evaluation parameters. Furthermore, through layer-by-layer self-assembly and electrostatic interactions, ACN-NLs were modified using synanthrin (SY) and pea protein isolate (PPI). Consequently, PPI-modified ACN-NLs (PPI-ACN-NLs) and SY-PPI-modified ACN-NLs (SY-PPI-ACN-NLs) were successfully synthesized. In this study, the structural characteristics of liposomes were investigated using X-ray diffraction (XRD), their in vitro digestibility was evaluated, and their stability under different temperatures, light conditions, and simulated food system conditions was assessed. The results demonstrated that when the mass ratio of soybean lecithin to cholesterol, soybean lecithin to anhydrous ethanol, and drug-to-lipid ratio were set at 5:1, 3:100, and 3:10, respectively, with an ACN concentration of 4 mg/mL, a pea protein solution with pH 3.0, a PPI concentration of 10 mg/mL, and an SY concentration of 8 mg/mL, the prepared ACN-NLs, PPI-ACN-NLs, and SY-PPI-ACN-NLs exhibited optimal performance. Their respective encapsulation efficiencies were 52.59 ± 0.24%, 83.80 ± 0.43%, and 90.38 ± 0.24%; average particle sizes were 134.60 ± 0.76 nm, 213.20 ± 0.41 nm, and 246.60 ± 0.24 nm zeta potentials were −32.4 ± 0.75 mV, −27.46 ± 0.69 mV, and −16.93 ± 0.31 mV. The changes in peak shape observed via X-ray diffraction (XRD), in vitro digestion profiles, and alterations in anthocyanin release rates under different conditions collectively indicated that the modification of ACN-NLs using SY and PPI enhanced the protective effect on the ACNs, improving their biological activity, and providing a robust foundation for the practical application of ACNs. Full article

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16 pages, 4277 KiB

Open AccessArticle

Functional Role of Resveratrol in Inducing Apoptosis in Breast Cancer Subtypes via Inhibition of Intracellular Fatty Acid Synthase

by Ping Li, Yan Liang and Xiaofeng Ma

Molecules 2025, 30(14), 2891; https://doi.org/10.3390/molecules30142891 - 8 Jul 2025

Fatty acid synthase (FASN) is frequently overexpressed in human breast cancer and has emerged as a potential therapeutic target. Resveratrol has been shown to inhibit FASN activity in vitro through both fast-reversible and slow-irreversible mechanisms. In this study, resveratrol reduced intracellular fatty acid [...] Read more.

Fatty acid synthase (FASN) is frequently overexpressed in human breast cancer and has emerged as a potential therapeutic target. Resveratrol has been shown to inhibit FASN activity in vitro through both fast-reversible and slow-irreversible mechanisms. In this study, resveratrol reduced intracellular fatty acid levels by inhibiting FASN activity and downregulating its expression across various breast cancer subtypes, including SK-BR-3, MCF-7, and MDA-MB-231 cells. Knockdown of FASN via small interfering RNA (siRNA) further enhanced resveratrol-induced cytotoxicity. Resveratrol significantly suppressed cell viability and triggered apoptosis, as evidenced by increased cleavage of poly(ADP-ribose) polymerase (PARP) and disruption of Bcl-2 family protein balance. Furthermore, resveratrol inhibited key signaling pathways involved in cell proliferation and survival, notably FAK, AKT, and ERK1/2. FASN silencing by siRNA also modulated the activation states of these signaling proteins. Collectively, these findings support resveratrol as a promising anti-cancer candidate that induces apoptosis in diverse breast cancer subtypes via FASN inhibition. Full article

(This article belongs to the Special Issue Chemical and Biological Research on Bioactive Natural Products)

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4 pages, 1182 KiB

Open AccessCorrection

Correction: Hoyos-Orozco et al. Synthesis of Imidazolidin-2-ones from trans-(R,R)-Diaminocyclohexane: A Statistical Analysis-Based Pseudo-Multicomponent Protocol. Molecules 2025, 30, 1415

by Catalina Hoyos-Orozco, Lili Dahiana Becerra and Diego Quiroga

Molecules 2025, 30(14), 2890; https://doi.org/10.3390/molecules30142890 - 8 Jul 2025

In the original publication [...] Full article

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