Molecules最新文献

{"title":"Thermosetting Resins Based on Poly(Ethylene Glycol Fumarate) and Acrylic Acid: Rheological and Thermal Analysis.","authors":"Gulsym Burkeyeva, Anna Kovaleva, Zhansaya Ibrayeva, David Havlicek, Yelena Minayeva, Aiman Omasheva, Elmira Zhakupbekova, Margarita Nurmaganbetova","doi":"10.3390/molecules30194020","DOIUrl":"https://doi.org/10.3390/molecules30194020","url":null,"abstract":"<p><p>The rheological behavior and low-temperature curing kinetics of poly(ethylene glycol fumarate)-acrylic acid systems initiated by benzoyl peroxide/N,N-dimethylaniline have been investigated for the first time with a focus on the development of thermosetting binders with controllable properties. It has been established that both composition and temperature have a significant effect on rheological behavior and kinetic parameters. Rheological studies revealed non-Newtonian flow behavior and thixotropic properties, while oscillatory tests demonstrated structural transformations during curing. Increasing the temperature was found to accelerate gelation, whereas a higher polyester content retarded the process, which is crucial for controlling the pot life of the reactive mixture. DSC analysis indicated that isothermal curing at 30-40 °C can be satisfactorily described by the Kamal autocatalytic model, whereas at 20 °C, at later stages, and at higher polyester contents, diffusion control becomes significant. The thermal behavior of cured systems was investigated using thermogravimetry. Calculations using the isoconversional Kissinger-Akahira-Sunose and Friedman methods confirmed an increase in the apparent activation energy for thermal decomposition, suggesting a stabilizing effect of poly(ethylene glycol fumarate) in the polymer structure. The studied systems are characterized by controllable kinetics, tunable viscosity, and high thermal stability, making them promising thermosetting binders for applications in composites, construction, paints and coatings, and adhesives.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Shift to Bio-Based Auxiliaries in Textile Wet Processing: Recent Advances and Industrial Potential.","authors":"Maria L Catarino, Filipa Sampaio, Luísa Pacheco, Ana L Gonçalves","doi":"10.3390/molecules30194016","DOIUrl":"https://doi.org/10.3390/molecules30194016","url":null,"abstract":"<p><p>The textile industry is among the most resource-intensive sectors, heavily dependent on water, energy, and synthetic chemicals, particularly in wet processing stages such as desizing, scouring, bleaching, dyeing, printing, and finishing. Conventional practices generate vast amounts of contaminated wastewater, posing severe risks to ecosystems and human health. In recent years, growing environmental concerns and stricter regulations have accelerated the search for sustainable alternatives. Biotechnology offers promising solutions, including enzymes, biopolymers, plant- and agrowaste-derived materials, and microbial metabolites, which can replace conventional auxiliaries and reduce the ecological footprint of textile processing. This review provides a structured overview of recent advances in bio-based compounds applied across different stages of textile wet processing. Applications are critically assessed in terms of performance, efficiency, environmental benefits, and potential for industrial adoption. Current limitations, future outlooks, and examples of commercially available products are also discussed. By highlighting the most recent progress, this review underscores the potential of bio-based innovations to support the transition toward more sustainable and resource-efficient textile manufacturing.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302270","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel Azaborine-Based Inhibitors of Histone Deacetylases (HDACs).","authors":"Martin Behringer, Markus Schweipert, Enna E Peters, Aleksandra Kopranovic, Franz-Josef Meyer-Almes","doi":"10.3390/molecules30194017","DOIUrl":"https://doi.org/10.3390/molecules30194017","url":null,"abstract":"<p><p>Aromatic ring systems appear ubiquitously in active pharmaceutical substances, such as FDA-approved histone deacetylase inhibitors. However, these rings reduce the water solubility of the molecules, which is a disadvantage during application. To address this problem, azaborine rings may be substituted for conventional aromatic ring systems. These are obtained by replacing two adjacent carbon atoms with boron and nitrogen. Incorporating B-N analogs in place of aromatic rings not only enhances structural diversity but also provides a strategy to navigate around patent-protected scaffolds. We synthesized azaborines, which are isosteric to naphthalene and indole, and utilized them as capping units for HDAC inhibitors. These molecules were attached to various aliphatic and aromatic linkers with different zinc-binding units, used in established active compounds. Nearly half of the twenty-four molecules tested exhibited inhibitory activity against at least one of the enzymes HDAC1, HDAC4, or HDAC8, with three compounds displaying IC₅₀ values in the nanomolar range. We have therefore demonstrated that azaborine building blocks can be successfully incorporated into HDACis, resulting in a highly active profile. Consequently, it should be feasible to develop active substances containing azaborine rings against other targets.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel Isolongifolenone-Based Caprolactam Derivatives as Potential Anticancer Agents via the p53/mTOR/Autophagy Pathway.","authors":"Yunyun Wang, Min Hu, Jiale Han, Yuxun Zhao, Biao Xiong, Peihai Li, Shifa Wang","doi":"10.3390/molecules30194013","DOIUrl":"https://doi.org/10.3390/molecules30194013","url":null,"abstract":"<p><p>Isolongifolenone, a natural sesquiterpenoid widely used in food additives and perfume, demonstrates a range of biological activities. In this study, a series of isolongifolenone-based caprolactam derivatives (<b>E1</b>-<b>E19</b>) were designed, synthesized, and evaluated for their anticancer activities in vitro. Most of the synthesized compounds significantly inhibited the proliferation of cultured cancer cells. Compound <b>E10</b>, containing an <i>m</i>-trifluoromethyl group, demonstrated the strongest anti-proliferation activities against MCF-7 (IC₅₀ = 0.32 µM), HepG2 (IC₅₀ = 1.36 µM), and A549 (IC₅₀ = 1.39 µM) cells. Moreover, <b>E10</b> was shown to increase intracellular ROS, reduce mitochondrial function, and induce cancer cell apoptosis via the p53/mTOR/autophagy pathway. Together, these results indicate that compound <b>E10</b> induced autophagy-associated cell apoptosis in MCF-7 cancer cells. Additionally, the antitumor activity of <b>E10</b> was validated in a zebrafish MCF-7 xenograft model. The observation that <b>E10</b> exhibits potent antitumor activity in both a three-dimensional (3D) cell culture model and the zebrafish xenograft model supports the development of <b>E10</b> as a potential drug candidate for cancer therapy.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302201","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemical Composition and Biological Activities of the Essential Oils from Different Parts of <i>Rosa bracteata</i> J.C.Wendl.","authors":"Shiyu Song, Yifang Chen, Hongrui Chen, Qinglei Han, Pengxiang Lai","doi":"10.3390/molecules30194021","DOIUrl":"https://doi.org/10.3390/molecules30194021","url":null,"abstract":"<p><p><i>Rosa bracteata</i> J.C.Wendl. is a thorny, clump-forming or trailing perennial evergreen shrub native to China. The current analysis was designed to explore the chemical constituents and determine the in vitro antimicrobial, cytotoxic, and antioxidant properties of the essential oils (EOs) of the stems, leaves, and flowers of <i>Rosa bracteata</i> for the first time. The chemical composition of the essential oils obtained through hydro-distillation was characterized by means of gas chromatography-mass spectrometry (GC-MS) and gas chromatography with a flame ionization detector (GC-FID). Thirty-seven, thirty-six, and forty-two constituents were identified from leaf oil (LEO), stem oil (SEO), and flower oil (FEO), representing 96.3%, 95.9%, and 97.4% of the total oil constituents, respectively. The LEO was mainly composed of 1-pentadecene, <i>α</i>-cadinol, and hexadecanoic acid. However, the main identified components of SEO were (<i>E</i>)-nerolidol, phytol, and benzyl benzoate, and the main components of the flower oil were ethyl octanoate, octanoic acid, and α-cadinol. All of the EOs exhibited antibacterial activities against both Gram-positive and Gram-negative bacteria with MIC values ranging from 40.00 to 640.00 μg/mL. In addition, the checkerboard method demonstrates potent synergistic effects of <i>Rosa bracteata</i> EOs when combined with commercial antibiotics (chloramphenicol and streptomycin). In the MTT test, SEO (IC₅₀: 37.91 ± 2.10 to 51.15 ± 6.42 μg/mL) showed stronger cytotoxic activity against four cancer cell lines (MCF-7, A549, HepG2, and HCT-116) during the incubation time of 48 h in comparison to the EOs isolated from the other plant parts. Overall, these findings reveal the chemical composition and significant bioactivity of <i>R. bracteata</i> EOs for the first time, suggesting their potential as promising natural agents for therapeutic applications, especially in combination therapies to combat antibiotic resistance.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302085","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Facile Fluorescent Visualization Method Based on Copper Clusters for Formaldehyde Detection.","authors":"Jie Zou, Qing Chen, Guimin Mu, Miao Ma, Fang Yang, Mengtian Li, Fujian Xu, Hui Xia","doi":"10.3390/molecules30194022","DOIUrl":"https://doi.org/10.3390/molecules30194022","url":null,"abstract":"<p><p>Establishing a simple and effective method for the visual detection of formaldehyde plays an important role in environmental emergency monitoring. In this work, L-cysteine-stabilized copper clusters were synthesized via a green, mild, and facile one-step preparation method. Through the optimization of reaction conditions, including reactant concentration and pH, the clusters exhibited stable red fluorescence. Upon exposure to formaldehyde, the fluorescence intensity of copper clusters gradually quenched with increasing formaldehyde concentration, enabling the development of a visual detection method that was successfully applied to analyze formaldehyde samples in air. Furthermore, by immobilizing the copper clusters into hydrogels, the visual detection performance and portability of the material were significantly enhanced. This method offers the advantages of simple preparation and rapid and accurate determination, demonstrating potential for semi-quantitative field detection of formaldehyde in emergency scenarios.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302044","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"From Chemistry to Bioactivity: HS-SPME-GC-MS Profiling and Bacterial Growth Inhibition of Three Different Propolis Samples from Romania, Australia, and Uruguay.","authors":"Radosław Balwierz, Katarzyna Kasperkiewicz, Martyna Straszak, Daria Siodłak, Katarzyna Pokajewicz, Ibtissem Ben Hammouda, Piotr P Wieczorek, Anna Kurek-Górecka, Zenon P Czuba, Tomasz Baj","doi":"10.3390/molecules30194014","DOIUrl":"https://doi.org/10.3390/molecules30194014","url":null,"abstract":"<p><p>Propolis is a valuable natural product whose chemical composition and bioactivity are strongly dependent on its geographical and botanical origin. This study presents a comprehensive comparative analysis of the volatile profiles and antibacterial properties of propolis from Romania, Australia, and Uruguay, benchmarked against previously published data from samples from Poland and Turkey. Volatile compounds were profiled using headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry. The resulting data were interrogated using multivariate chemometric analyses (HCA, PCA), and antibacterial activity was assessed via the disk diffusion method against five bacterial strains. Chemometric analysis revealed a clear demarcation into two primary chemotypes: a European type (Poland, Romania, Turkey) dominated by aromatic compounds such as benzoic acid, and a non-European type (Australia, Uruguay) characterized by a high abundance of terpenes. The Australian propolis exhibited a complex terpene profile rich in α-copaene and pinenes, while the Uruguayan sample was distinguished by an exceptionally high concentration of α-pinene. All active extracts showed selective, concentration-dependent inhibition against Gram-positive <i>Staphylococcus aureus</i> and <i>Streptococcus mutans</i>. The terpene-rich Australian propolis displayed the highest antibacterial potency, particularly against <i>S. mutans</i>. Crucially, Pearson correlation analysis revealed a counter-intuitive relationship: the most abundant terpenes in the non-European samples (e.g., α-pinene, verbenone) were significantly negatively correlated with antibacterial activity (r ≈ -0.99). Conversely, less abundant compounds, including linalool and acetic acid, were identified as strong positive predictors of inhibition (r > 0.90). These findings underscore a complex geography-chemotype-bioactivity relationship, where the overall synergistic effect of a mixed chemical profile, rather than the dominance of a single compound, determines antibacterial potency. The initially proposed markers provide a basis for origin-based standardization and highlight Australian propolis as a promising source of natural antibacterial agents.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302217","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Aromaticity Tuning in Biaryl Monophosphines and Their Derivatives.","authors":"Barbara Miroslaw, Pawel Rejmak, Izabela Dybala, Urszula Kosikowska, Sylwia Andrzejczuk, Łukasz Świątek, Kinga Salwa, Oleg M Demchuk","doi":"10.3390/molecules30194018","DOIUrl":"https://doi.org/10.3390/molecules30194018","url":null,"abstract":"<p><p>Aromaticity tuning of biaryl monophosphines can significantly impact their catalytic performance. Biaryl monophosphines constitute a crucial class of compounds due to their potential as ligand precursors in asymmetric Pd-catalyzed cross-coupling and some other catalytic reactions. In this study, we investigate the tuning of aromaticity within a series of selected biaryl monophosphine derivatives exhibiting diverse steric and electronic properties. XRD structures and Hirshfeld surface analyses were complemented by DFT calculations. Aromaticity indices, such as geometric HOMA, HOMER, and magnetic NICS, were evaluated and correlated with ligand properties. NICS(1)zz was the most sensitive to aromaticity changes. The results showed that among the ring-activating substituents, methoxy groups were more beneficial than hydroxy ones. The hydroxy groups not only modulated the aromaticity but also induced unfavorable conformational changes of the catalyst precursors through strong inter- and intramolecular hydrogen bonding. The spatial arrangement of the P atom adjacent to the aryl ring system confers catalytic advantages by promoting the assembly of coordination compounds (catalysts) in which Pd-C bond formation occurs, yielding C,P-chelated five-membered palladacyclic structures. The hydroxy substituents blocked access to the P atom, thereby hindering catalytic performance. The studies show that even subtle changes in the monophosphine biaryl scaffold, especially aromaticity tuning should be carefully evaluated during the rational design of new efficient catalysts. The studied compounds were evaluated for their biological activity against three Gram-positive and four Gram-negative bacteria as model microorganisms. The research was supplemented by in vitro cytotoxicity evaluation.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145301987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Progress in the Study of Extraction Methods and Pharmacological Effects of Traditional Chinese Medicine-Derived Carbon Dots.","authors":"Xiaohang Zhou, Junxiang Zhou, Junling Ren, Zhongyuan Qu, Tianlei Zhang","doi":"10.3390/molecules30194015","DOIUrl":"https://doi.org/10.3390/molecules30194015","url":null,"abstract":"<p><p>Traditional Chinese medicine-derived carbon dots (TCM-CDs) are prepared by top-down or bottom-up synthesis methods using TCM or their active ingredients as precursors, and the size of TCM-CDs is usually less than 10 nm. It has the advantages of easy preparation, low toxicity, and high compatibility. Compared with traditional Chinese medicines, it shows more outstanding performance in antioxidant, hemostatic, antibacterial, and other aspects, thus having good development prospects. This paper systematically reviews the synthesis methods of carbon dots, focusing on the influence of different traditional Chinese medicine precursors on the formation of carbon dots during the processing process, and analyzes the performance of carbon dots in enhancing the efficacy of original medicinal materials, exerting multi-target synergistic effects, improving bioavailability, and generating new medicinal effects. It is expected to provide a theoretical basis and reference direction for the in-depth research and development of traditional Chinese medicine carbon dots in the field of medicinal value.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent Developments in Azomethine Ylide-Initiated Double Cycloadditions.","authors":"Tieli Zhou, Xiaofeng Zhang, Yan Jan Sheng, Desheng Zhan, Wei Zhang","doi":"10.3390/molecules30194019","DOIUrl":"https://doi.org/10.3390/molecules30194019","url":null,"abstract":"<p><p>Azomethine ylides (AMYs) have a nitrogen-carbon double bond and an electron lone pair on the nitrogen atom. They are essential 1,3-dipoles for [3+2] cycloadditions in the synthesis of pyrrolidine-containing heterocycles. Significant progress in 1,3-diplolar cycloadditions has been made in the construction of novel heterocyclic scaffolds, with efforts to broaden substrate scope, enhance stereoselectivity, and integrate green chemistry principles. This article summarizes double cycloadditions of AMYs derived from amino esters and amino acids for the synthesis of novel polyheterocycles. The design of double cycloadditions through the pot, atom, and step economic (PASE) method to increase the reaction efficiency is discussed. The examples presented in this paper may be applied to the synthesis of biologically active molecules.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302171","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}