IF 4.2 2区化学

Molecules Pub Date : 2025-06-06 DOI: 10.3390/molecules30122481

Yang Sun, Qian-Mei Zhou, Yi-Yu Lu, Hui Zhang, Qi-Long Chen, Ming Zhao, Shi-Bing Su

引用次数: 0

Correction: Povo-Retana et al. Trabectedin and Lurbinectedin Modulate the Interplay between Cells in the Tumour Microenvironment-Progresses in Their Use in Combined Cancer Therapy. Molecules 2024, 29, 331. 更正：Povo-Retana等人。Trabectedin和Lurbinectedin调节肿瘤微环境中细胞间的相互作用及其在肿瘤联合治疗中的应用进展。分子2024,29,331。

IF 4.2 2区化学

Molecules Pub Date : 2025-06-05 DOI: 10.3390/molecules30112472

Adrián Povo-Retana, Rodrigo Landauro-Vera, Carlota Alvarez-Lucena, Marta Cascante, Lisardo Boscá

引用次数: 0

Enhancing Ion Transport in Polymer Electrolytes by Regulating Solvation Structure via Hydrogen Bond Networks. 通过氢键网络调节溶剂化结构增强聚合物电解质中的离子输运。

IF 4.2 2区化学

Molecules Pub Date : 2025-06-05 DOI: 10.3390/molecules30112474

Yuqing Gao, Yankui Mo, Shengguang Qi, Mianrui Li, Tongmei Ma, Li Du

{"title":"Enhancing Ion Transport in Polymer Electrolytes by Regulating Solvation Structure via Hydrogen Bond Networks.","authors":"Yuqing Gao, Yankui Mo, Shengguang Qi, Mianrui Li, Tongmei Ma, Li Du","doi":"10.3390/molecules30112474","DOIUrl":"10.3390/molecules30112474","url":null,"abstract":"Polymer electrolytes (PEs) provide enhanced safety for high-energy-density lithium metal batteries (LMBs), yet their practical application is hampered by intrinsically low ionic conductivity and insufficient electrochemical stability, primarily stemming from suboptimal Li+ solvation environments and transport pathways coupled with slow polymer dynamics. Herein, we demonstrate a molecular design strategy to overcome these limitations by regulating the Li+ solvation structure through the synergistic interplay of conventional Lewis acid-base coordination and engineered hydrogen bond (H-bond) networks, achieved by incorporating specific H-bond donor functionalities (N,N'-methylenebis(acrylamide), MBA) into the polymer architecture. Computational modeling confirms that the introduced H-bonds effectively modulate the Li+ coordination environment, promote salt dissociation, and create favorable pathways for faster ion transport decoupled from polymer chain motion. Experimentally, the resultant polymer electrolyte (MFE, based on MBA) enables exceptionally stable Li metal cycling in symmetric cells (>4000 h at 0.1 mA cm-2), endows LFP|MFE|Li cells with long-term stability, achieving 81.0% capacity retention after 1400 cycles, and confers NCM622|MFE|Li cells with cycling endurance, maintaining 81.0% capacity retention after 800 cycles under a high voltage of 4.3 V at room temperature. This study underscores a potent molecular engineering strategy, leveraging synergistic hydrogen bonding and Lewis acid-base interactions to rationally tailor the Li+ solvation structure and unlock efficient ion transport in polymer electrolytes, paving a promising path towards high-performance solid-state lithium metal batteries.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12156010/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285586","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Antitrypanosomal and Antileishmanial Activities of Tacca leontopetaloides Tubers and Zanthoxylum zanthoxyloides Stem Bark. 茯苓块茎和花椒茎皮抗锥虫和利什曼虫活性研究。

IF 4.2 2区化学

Molecules Pub Date : 2025-06-05 DOI: 10.3390/molecules30112468

Elizabeth O Agbo, John V Anyam, Cyprian T Agber, Christie A Adah, Christopher Agbo, Augustina O Ijeomah, Terrumun A Tor-Anyiin, Hamed E Alkhalaf, Aditya Sarode, Jamal I Asseri, Alexander I Gray, John O Igoli, Harry P De Koning

{"title":"Antitrypanosomal and Antileishmanial Activities of Tacca leontopetaloides Tubers and Zanthoxylum zanthoxyloides Stem Bark.","authors":"Elizabeth O Agbo, John V Anyam, Cyprian T Agber, Christie A Adah, Christopher Agbo, Augustina O Ijeomah, Terrumun A Tor-Anyiin, Hamed E Alkhalaf, Aditya Sarode, Jamal I Asseri, Alexander I Gray, John O Igoli, Harry P De Koning","doi":"10.3390/molecules30112468","DOIUrl":"10.3390/molecules30112468","url":null,"abstract":"The phytochemical screening of extracts of Tacca leontopetaloides tubers has afforded the isolation of two novel chalcones, tarkalynins A and B, along with taccalonolide A and its 12-propanoate. The screening of Zanthoxylum zanthoxyloides stem bark yielded taraxerol acetate, dihydrochelerythrin and fagaramide. These compounds were obtained through column and thin-layer chromatography and identified using NMR and LC-HRMS. The compounds were tested against Trypanosoma brucei brucei s427 and its multi-drug-resistant clone B48, against Trypanosoma evansi, Trypanosoma equiperdum and Trypanosoma congolense, and against Leishmania mexicana. Cytotoxicity was tested against the human HEK293 cell line. The highest activities were observed with dihydrochelerythrin and fagaramide against T. b. brucei s427 and B48, T. evansi, and L. mexicana, with EC50 values of 1.37, 2.559, 1.09, and 5.44 µM and 17.8, 10.9, 10.9, and 13.3 µM, respectively. In addition, tarkalynin A and taraxerol acetate displayed promising activity against T. equiperdum (EC50 = 21.4 and 21.3 µM, respectively). None of these compounds showed significant cross-resistance with existing trypanocides (RF ≈ 1; p > 0.05). The compounds displayed low toxicity to human cells, with most exhibiting no growth inhibition at concentrations of 100, or even 300 µM. This report provides further evidence of the potential use of natural products for combating parasitic diseases.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12156181/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring Salivary Thiocyanate as a Novel Biomarker of Physical Activity Response. 探索唾液硫氰酸盐作为身体活动反应的新生物标志物。

IF 4.2 2区化学

Molecules Pub Date : 2025-06-05 DOI: 10.3390/molecules30112476

Christoforos Chrimatopoulos, Kalliopi Papadopoulou, Theodora Tsilouli, Vasilios Sakkas

{"title":"Exploring Salivary Thiocyanate as a Novel Biomarker of Physical Activity Response.","authors":"Christoforos Chrimatopoulos, Kalliopi Papadopoulou, Theodora Tsilouli, Vasilios Sakkas","doi":"10.3390/molecules30112476","DOIUrl":"10.3390/molecules30112476","url":null,"abstract":"Salivary thiocyanate (SCN-) has long been recognized for its role in mucosal defense and antioxidant function, yet its behavior during physical activity remains unexplored. This study aimed to investigate salivary thiocyanate as a novel salivary biomarker responsive to exercise. A standard Vis-photometric method (thiocyanatoiron-complex formation) was utilized and validated for the rapid quantification of thiocyanate in saliva. The method was applied to two experimental setups: (i) a controlled treadmill protocol involving incremental running intensities (20%, 60%, and 90% VO2max-mL/kg/min), and (ii) field sampling of athletes from various sports before and after their typical training sessions, managing a total of 162 athletes. This work is the first to quantitatively investigate thiocyanate as an exercise-induced salivary biomarker, validated through both controlled and real-world settings. Additionally, subgroup analysis across sex and smoking status revealed inter-individual variation in salivary SCN- profiles. Across both setups, during controlled exercise intensity increment and typical training routine, thiocyanate concentrations consistently decreased in response to physical exertion. These results were statistically significant and reflected in both male and female athletes. This is the very first study that determines salivary SCN- during any kind of physical exercise and opens new pathways for non-invasive sampling and for monitoring physiological stress and immune response in athletic populations.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12157199/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285607","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The Influence of Ectoine on the Skin Parameters Damaged by a CO₂ Laser. 外托碱对CO2激光损伤皮肤参数的影响。

IF 4.2 2区化学

Molecules Pub Date : 2025-06-05 DOI: 10.3390/molecules30112470

Izabela Załęska, Urszula Goik, Tomasz Goik, Kinga Wilkus

{"title":"The Influence of Ectoine on the Skin Parameters Damaged by a CO2 Laser.","authors":"Izabela Załęska, Urszula Goik, Tomasz Goik, Kinga Wilkus","doi":"10.3390/molecules30112470","DOIUrl":"10.3390/molecules30112470","url":null,"abstract":"Ectoine is a substance produced by extremophiles and is naturally used by them as protection against adverse environmental conditions in which they live. Scientific contributions discuss its excellent effect through cosmotropic properties, prevention of secondary messenger release in cells, and transcription factors. The influence on the lipid layer of the cell membrane and its preventive effect as a UV filter were also demonstrated. What is more, its anti-oxidative effect was established. Ectoine works as an immunostimulant and also has anti-inflammatory and anti-cancer properties. These attributes are dominating factors in the use of ectoine's properties in skin fractionation treatment with a CO2 laser. In the following work, the influence of ectoine on skin parameters was described, focusing on redness, moisturization, and TEWL after the use of a CO2 laser (Załęska 2019). The rheological properties of preparations with ectoine addition were also tested. The yield point was determined, the viscosity changes of cosmetic preparations were measured with increasing shear rates, and oscillation tests were performed. With increasing percentages of ectoine and frequency of application, the occurrence of redness after CO2 therapy decreased. The highest moisture level values from 54.4 × 0.02 mg/cm2 to 72.5 × 0.02 mg/cm2 were obtained for preparation A applied twice a day; for the same preparation, a reduction in TEWL from 6.2 to 5.3 g/(m2·h) was obtained. The results of the tests of cosmetic emulsions allowed us to conclude that the preparations in the analyzed shear rate range at all tested temperatures are non-Newtonian liquids that are shear-thinning and have a flow limit. The obtained results of the conducted research prove the positive effect of dermocosmetics with ectoine content in the process of skin healing.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12158106/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

N-Alkylamino Stilbene Compounds as Amyloid β Inhibitors for Alzheimer's Disease Research. n -烷基胺二苯乙烯化合物作为β淀粉样蛋白抑制剂用于阿尔茨海默病的研究。

IF 4.2 2区化学

Molecules Pub Date : 2025-06-05 DOI: 10.3390/molecules30112471

Citlali Gutiérrez, Liang Sun, Yiran Huang, Kai Gui, Karna Terpstra, Liviu M Mirica

引用次数: 0

Efficient Analytical Pretreatment of Cr(VI) in Ethylene Wastewater by Grafting g-C₃N₄ Material Based on Coupling Agent-Modified Basalt Matrix (Basalt-MTES/g-C₃N₄). 偶联剂改性玄武岩基体接枝g-C3N4材料（玄武岩- mtes /g-C3N4）对乙烯废水中Cr（VI）的高效分析预处理

IF 4.2 2区化学

Molecules Pub Date : 2025-06-05 DOI: 10.3390/molecules30112477

Zheng Wang, Mingchang Jia, Yi Ren, Hongmin Ren, Shuhao Liang, Jiaru Sun, Siqi Hao, Jinchuan Li, He Li

{"title":"Efficient Analytical Pretreatment of Cr(VI) in Ethylene Wastewater by Grafting g-C3N4 Material Based on Coupling Agent-Modified Basalt Matrix (Basalt-MTES/g-C3N4).","authors":"Zheng Wang, Mingchang Jia, Yi Ren, Hongmin Ren, Shuhao Liang, Jiaru Sun, Siqi Hao, Jinchuan Li, He Li","doi":"10.3390/molecules30112477","DOIUrl":"10.3390/molecules30112477","url":null,"abstract":"This study presents a novel Basalt-based grafted graphitic carbon nitride composite (Basalt-MTES/g-C3N4) for the efficient pretreatment of Cr(VI) in ethylene wastewater. The composite was synthesized by the acid purification of natural Basalt, surface modification with hydroxymethyl triethoxysilane (MTES), and the subsequent grafting of g-C3N4. Characterization confirmed the uniform distribution of nano-sized g-C3N4 particles on a Basalt surface with intact chemical bonding, where 82.63% of melamine participated in g-C3N4 crystallization. The material exhibited a high specific surface area (403.55 m2/g) and mesoporous structure (34.29 nm). Acidic conditions promoted the protonation of amino groups in g-C3N4, significantly enhancing Cr(VI) adsorption via ion exchange. Adsorption kinetics followed the pseudo-second-order model, while isotherm data fitted the Langmuir monolayer adsorption mechanism. The composite achieved 97% Cr(VI) recovery through chromatographic extraction and retained 96.87% removal efficiency after five regeneration cycles. This work demonstrates a cost-effective, recyclable green pretreatment material for high-sensitivity Cr(VI) monitoring in ethylene industry wastewater, offering dual benefits in environmental remediation and regulatory compliance. The design synergizes natural Basalt's stability with g-C3N4's adsorption affinity, showing practical potential for sustainable wastewater treatment technologies.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12158056/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Application of VUV/Sulfite Defluorination System for the Simple Detection of Perfluoroalkyl Substances. VUV/亚硫酸盐脱氟系统在全氟烷基物质简单检测中的应用。

IF 4.2 2区化学

Molecules Pub Date : 2025-06-05 DOI: 10.3390/molecules30112475

Shiyong Tao, Yilin Chen, Xiao Mei, Luyao Jin, Feng Wu, Jing Xu

{"title":"Application of VUV/Sulfite Defluorination System for the Simple Detection of Perfluoroalkyl Substances.","authors":"Shiyong Tao, Yilin Chen, Xiao Mei, Luyao Jin, Feng Wu, Jing Xu","doi":"10.3390/molecules30112475","DOIUrl":"10.3390/molecules30112475","url":null,"abstract":"This study investigated the defluorination of PFOA and PFOS using a vacuum ultraviolet (VUV)/sulfite system, and evaluated its potential application in quantifying individual perfluoroalkyl substances (PFAS). Results showed that 81.9% and 87.5% defluorination of PFOA and PFOS were achieved after 120 min of photoreaction under conditions of pH 12 and 20 mM of sulfite. Higher pH and sulfite dosage facilitated the reaction, while competing ions could suppress the defluorination efficiency. Based on the optimized defluorination conditions for individual PFAS, the potential of fluoride release amount, as an indirect quantification indicator, was further assessed. A strong linearity between the fluoride release and initial PFAS concentration (R2 > 0.999) was observed in the PFAS concentration range of 2-100 μM, and such linearity was also shown in the presence of sediment leachates. This correlation enabled the estimation of individual PFAS concentrations by measuring fluoride release after defluorination treatment. The approach was further demonstrated in an adsorption experiment, where calculated distribution coefficients (Koc) for PFAS-sediment interactions were consistent with previously reported values, supporting the analytical validity of the method under controlled conditions. Overall, this work presents a simple and cost-effective indirect analytical strategy of applying a VUV/sulfite defluorination system for individual PFAS quantitative detection in complex environmental matrices.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12156896/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Identification, Geographical Traceability, and Thermal Oxidation and Photodegradation Studies of Camellia Oil Based on Raman Spectroscopy. 基于拉曼光谱的茶油鉴别、地理溯源及热氧化和光降解研究

IF 4.2 2区化学

Molecules Pub Date : 2025-06-05 DOI: 10.3390/molecules30112473

Boxue Chang, Jingyue Huang, Qingli Xie, Yinlan Ruan, Rukuan Liu

{"title":"Identification, Geographical Traceability, and Thermal Oxidation and Photodegradation Studies of Camellia Oil Based on Raman Spectroscopy.","authors":"Boxue Chang, Jingyue Huang, Qingli Xie, Yinlan Ruan, Rukuan Liu","doi":"10.3390/molecules30112473","DOIUrl":"10.3390/molecules30112473","url":null,"abstract":"Camellia oil, rich in monounsaturated fatty acids, squalene, tocopherols, and polyphenols, is highly valued for its nutritional benefits. However, its high market value and regional variations have led to frequent adulteration, highlighting the need for rapid, non-destructive methods for authentication, geographical traceability, and quality assessment. This study employed portable Raman spectroscopy combined with Partial Least Squares Discriminant Analysis (PLS-DA) and Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) to differentiate camellia oil from other edible oils and evaluate its thermal and photo-oxidative stability. PLS-DA, based on VIP-selected spectral variables, effectively distinguished camellia oil, with Raman bands near 1250 cm-1 and 1650 cm-1 contributing significantly. A unique peak at 1525 cm-1, observed in samples from Gongcheng, Guangxi, was associated with carotenoids and served as a potential marker for geographical traceability. MCR-ALS modeling revealed significant reductions in the 1650 cm-1 and 1525 cm-1 peaks when temperatures exceeded 150 °C, indicating degradation of unsaturated fatty acids and carotenoids. Under UV exposure, the 1525 cm-1 peak declined sharply and nearly disappeared after 24 h, suggesting rapid carotenoid degradation via photooxidation. Extended UV treatment also affected the 1650 cm-1 peak and led to oxidative product accumulation. Overall, this study demonstrates the feasibility of integrating Raman spectroscopy with chemometric analysis for efficient oil classification, traceability, and stability monitoring, offering a valuable tool for food quality control and market supervision.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12157809/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285658","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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