IF 4.6 2区化学

Molecules Pub Date : 2025-10-09 DOI: 10.3390/molecules30194027

Jinyao Tang, Xiaochen Shen, Laura Newsom, Rongxuan Xie, Parsa Pishva, Yanlin Zhu, Bin Liu, Zhenmeng Peng

{"title":"Isopropanol Electro-Oxidation on PtCu Alloys for Aqueous Organic Redox Chemistry Toward Energy Storage.","authors":"Jinyao Tang, Xiaochen Shen, Laura Newsom, Rongxuan Xie, Parsa Pishva, Yanlin Zhu, Bin Liu, Zhenmeng Peng","doi":"10.3390/molecules30194027","DOIUrl":"https://doi.org/10.3390/molecules30194027","url":null,"abstract":"Integration of renewable energy into modern power grids remains limited by intermittency and the need for reliable energy storage. Redox flow batteries (RFBs) are promising for large-scale energy storage, yet their widespread adoption is hindered by the high cost. In this study, we investigate isopropanol as a redox-active species with Pt-Cu alloy electrocatalysts for aqueous-organic RFBs. A series of PtxCu catalysts with varying Pt:Cu ratios were synthesized and studied for isopropanol electro-oxidation reaction (IPAOR) performance. Among them, PtCu demonstrated the best performance, achieving a low activation energy of 14.4 kJ/mol at 0.45 V vs. RHE and excellent stability at 1 M isopropanol (IPA) concentration. Kinetic analysis and in situ attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy revealed significantly reduced acetone accumulation on PtCu compared to pure Pt, indicating enhanced resistance to catalyst poisoning. Density functional theory (DFT) calculations further identified the first proton-coupled electron transfer (PCET) as the rate-determining step (RDS) with C-H bond scission as the preferred pathway on PtCu. A proof-of-concept PtCu-catalyzed H-cell demonstrated stable cycling over 200 cycles, validating the feasibility of IPA as a low-cost, regenerable redox couple. These findings highlight PtCu-catalyzed IPA/acetone(ACE) chemistry as a promising platform for next-generation aqueous-organic RFBs.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302123","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}

引用次数: 0

Optimizing Metal Sites in Hierarchical USY for Selective Hydrocracking of Naphthalene to BTX. 萘选择性加氢裂化制BTX的分级USY金属位优化。

IF 4.6 2区化学

Molecules Pub Date : 2025-10-09 DOI: 10.3390/molecules30194023

Kunyi Zheng, Mingjia Liu, Haidong Li, Xiu Chen, Xilong Wang

引用次数: 0

Interface Catalysts of In Situ-Grown TiO₂/MXenes for High-Faraday-Efficiency CO₂ Reduction. 原位生长TiO2/MXenes界面催化剂的高法拉第效率CO2还原。

IF 4.6 2区化学

Molecules Pub Date : 2025-10-09 DOI: 10.3390/molecules30194025

Shaun Debow, Zichen Shen, Arjun Sathyan Kulathuvayal, Fuzhan Song, Tong Zhang, Haley Fisher, Jesse B Brown, Yuqin Qian, Zhi-Chao Huang-Fu, Hui Wang, Zachary Zander, Mark S Mirotznik, Robert L Opila, Yanqing Su, Yi Rao

{"title":"Interface Catalysts of In Situ-Grown TiO2/MXenes for High-Faraday-Efficiency CO2 Reduction.","authors":"Shaun Debow, Zichen Shen, Arjun Sathyan Kulathuvayal, Fuzhan Song, Tong Zhang, Haley Fisher, Jesse B Brown, Yuqin Qian, Zhi-Chao Huang-Fu, Hui Wang, Zachary Zander, Mark S Mirotznik, Robert L Opila, Yanqing Su, Yi Rao","doi":"10.3390/molecules30194025","DOIUrl":"https://doi.org/10.3390/molecules30194025","url":null,"abstract":"Climate change and the global energy crisis have led to an increasing need for greenhouse gas remediation and clean energy sources. The electrochemical CO2 reduction reaction (CO2RR) is a promising solution for both issues as it harvests waste CO2 and chemically reduces it to more useful forms. However, the high overpotential required for the reaction makes it electrochemically unfavorable. Here, we fabricate a novel electrode composed of TiO2 nanoparticles grown in situ on MXene charge acceptor 2D sheets with excellent CO2RR characteristics. A straightforward solvothermal method was used to grow the nanoparticles on the Ti3C2Tx MXene flakes. The electrochemical performance of the TiO2/MXene electrodes was analyzed. The Faradaic efficiencies of the TiO2/MXene electrodes were determined, with a value of 99.41% at -1.9 V (vs. Ag/AgCl). Density functional theory mechanistic analysis was used to reveal the most likely mechanism resulting in the production of one CO molecule along with a carbonate anion through ∗CO, ∗O, and activated CO22- intermediates. Bader charge analysis corroborated this pathway, showing that CO2 gains a greater negative charge when TiO2/MXene serves as a catalyst compared to MXene or TiO2 alone. These results show that TiO2/MXene nanocomposite electrodes may be very useful in the conversion of CO2 while still being efficient in both time and cost.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302139","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}

引用次数: 0

Natural Tyrosinase Inhibitors from Lycopodium japonicum. 日本石蒜天然酪氨酸酶抑制剂。

IF 4.6 2区化学

Molecules Pub Date : 2025-10-09 DOI: 10.3390/molecules30194024

Zeng-Yue Ge, Ya-Qing Wang, Qi-Bin Yang, Xian-Yun Yan, Lei Wu, Min Zhang, Lin-Fu Liang

引用次数: 0

Volatile Organic Compounds (VOCs) in Neurodegenerative Diseases (NDDs): Diagnostic Potential and Analytical Approaches. 神经退行性疾病（ndd）中的挥发性有机化合物（VOCs）：诊断潜力和分析方法。

IF 4.6 2区化学

Molecules Pub Date : 2025-10-09 DOI: 10.3390/molecules30194028

Jolanda Palmisani, Antonella Maria Aresta, Viviana Vergaro, Giovanna Mancini, Miriana Cosma Mazzola, Marirosa Rosaria Nisi, Lucia Pastore, Valentina Pizzillo, Nicoletta De Vietro, Chiara Boncristiani, Giuseppe Ciccarella, Carlo Zambonin, Gianluigi de Gennaro, Alessia Di Gilio

{"title":"Volatile Organic Compounds (VOCs) in Neurodegenerative Diseases (NDDs): Diagnostic Potential and Analytical Approaches.","authors":"Jolanda Palmisani, Antonella Maria Aresta, Viviana Vergaro, Giovanna Mancini, Miriana Cosma Mazzola, Marirosa Rosaria Nisi, Lucia Pastore, Valentina Pizzillo, Nicoletta De Vietro, Chiara Boncristiani, Giuseppe Ciccarella, Carlo Zambonin, Gianluigi de Gennaro, Alessia Di Gilio","doi":"10.3390/molecules30194028","DOIUrl":"https://doi.org/10.3390/molecules30194028","url":null,"abstract":"Neurodegenerative diseases (NDDs) are a group of progressive diseases affecting neuronal cells in specific areas of the brain, causing cognitive decline and movement impairment. Nowadays, NDDs play a significant role in the global burden of disease, and their incidence is increasing, particularly due to population aging. NDD onset is multi-factorial; based on the current knowledge, genetic, environmental, and cellular factors are believed to contribute to their occurrence and progression. Taking into account that at an early stage, the symptoms are not clearly defined, and diagnosis may be delayed, the development of innovative and non-invasive methodological approaches for early diagnosis of NDDs is strategic for timely and tailored disease management, as well as for the overall improvement of patients' quality of life. The present review aims to provide, in the first part, an overview based on the current level of knowledge on the environmental risk factors that can explicate a role in the onset of the most common NDDs and on the main pathogenic mechanisms involved in disease initiation and progression. The second part aims to define the current state of the art regarding the significance of Volatile Organic Compounds (VOCs) in the volatome of different human biological matrices (exhaled breath, feces, and skin sebum) as candidate biomarkers of specific NDDs, with the aim of developing non-invasive diagnostic approaches for the early diagnosis and personalized management of the patients. A critical synthesis and discussion on the applied methodological approaches and on the relevant outcomes obtained across the studies is reported.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302302","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}

引用次数: 0

Thiofunctionalization of Silyl Enol Ether: An Efficient Approach for the Synthesis of β-Keto Sulfides. 硅烯醇醚的硫代官能化：合成β-酮类硫化物的有效途径。

IF 4.6 2区化学

Molecules Pub Date : 2025-10-09 DOI: 10.3390/molecules30194032

Xinyao Zhao, Hexia Ye, Yajie Fu, Haibo Liu, Xiaojing Bi

引用次数: 0

Targeted Enrichment and Characterization of Diester Diterpenoid Alkaloids in Aconitum Herbs Using Gas-Liquid Microextraction Coupled with High-Resolution Mass Spectrometry. 气液微萃取-高分辨率质谱联用技术富集乌头中二酯类二萜生物碱

IF 4.6 2区化学

Molecules Pub Date : 2025-10-09 DOI: 10.3390/molecules30194029

Yijun Wang, Ceyu Miao, Junxian Wu, Yutong Hua, Xiang Li, Liping Kang, Zidong Qiu

{"title":"Targeted Enrichment and Characterization of Diester Diterpenoid Alkaloids in Aconitum Herbs Using Gas-Liquid Microextraction Coupled with High-Resolution Mass Spectrometry.","authors":"Yijun Wang, Ceyu Miao, Junxian Wu, Yutong Hua, Xiang Li, Liping Kang, Zidong Qiu","doi":"10.3390/molecules30194029","DOIUrl":"https://doi.org/10.3390/molecules30194029","url":null,"abstract":"Diterpenoid diester alkaloids (DDAs) are the primary toxic constituents in aconite herbs, while also being the key pharmacologically active components. Consequently, establishing rapid enrichment and highly sensitive analytical methods for DDAs is of critical importance. Herein, we developed and constructed a gas-liquid microextraction (GLME) device, which enables the rapid and selective enrichment of DDAs from complex matrices. The enriched extract can be directly analyzed by high-resolution Orbitrap mass spectrometry without requiring any further pretreatment. A comparative analysis of six commonly used Aconitum herbs medicines and their processed derivatives was conducted. Notably, GLME enhanced the mass spectrometric signals of DDAs by 3-4 orders of magnitude, facilitating the identification of 27 alkaloids, including 3 potential new compounds (15-Ethyl-13-deoxyanhydroaconitine, 13-Hydroxy-15-ethylanhydroaconitine and 8-eicosapentaenoic-benzoylmesaconine). It was found that among the tested samples, the DDAs response intensity of raw Caowu was the highest, and the DDA signals decreased significantly after processing. This result chemically validates the detoxification efficacy of traditional methods. The proposed GLME-MS strategy has the advantages of being green, economical, easy to operate, and highly selective (>1000-fold), which provides a technical reference for the rapid detection, safety assessment, and quality control of Aconitum herbs.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302175","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}

引用次数: 0

Construction of Hierarchical Fe-MFI Nanosheets with Enhanced Fenton-like Degradation Performance. 具有增强类芬顿降解性能的分层Fe-MFI纳米片的构建。

IF 4.6 2区化学

Molecules Pub Date : 2025-10-09 DOI: 10.3390/molecules30194030

Haibo Jiang, Lin Xu, Qingrun Meng, Xu Feng, Junxuan Wang, Yankai Li, Junjie Li

{"title":"Construction of Hierarchical Fe-MFI Nanosheets with Enhanced Fenton-like Degradation Performance.","authors":"Haibo Jiang, Lin Xu, Qingrun Meng, Xu Feng, Junxuan Wang, Yankai Li, Junjie Li","doi":"10.3390/molecules30194030","DOIUrl":"https://doi.org/10.3390/molecules30194030","url":null,"abstract":"Introducing hierarchical structure into zeolites or synthesizing two-dimensional (2D) zeolite nanosheets have drawn much attention in catalysis and separation process due to the improvement in zeolites' diffusion properties. In this study, Fe incorporated on the MFI zeolite framework (Fe-MFI) with the nanosheet morphology and unique hierarchical pore structure was successfully synthesized and applied for the adsorption and degradation of Rhodamine B (RhB) in a Fenton-like reaction in the presence of H2O2. The synthesis involved a seed-directed hydrothermal method in the presence of NH4F and a subsequent NaOH treatment made the synthesized hierarchical Fe-MFI nanosheets (Fe-20-10) characterized by abundant highly dispersed framework Fe3+ species. As a result of these features, the Fe-20-10 showed excellent ability of adsorption and degradation efficiency of RhB, and enhanced durability due to negligible leaching of framework Fe3+ species. Moreover, the hydroxyl radicals were determined as the main the reactive oxygen species of RhB degradation, and a possible adsorption-degradation pathway was proposed. This work offers guidance for developing high-performance Fenton-like degradation catalysts.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302192","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}

引用次数: 0

Simultaneous Development and Validation of an HPLC Method for the Determination of Furosemide and Its Degraded Compound in Pediatric Extemporaneous Furosemide Oral Solution. 同时建立高效液相色谱法测定小儿即食速尿口服液中速尿及其降解物的含量并验证。

IF 4.6 2区化学

Molecules Pub Date : 2025-10-09 DOI: 10.3390/molecules30194031

Katsanee Srejomthong, Thanawat Pattananandecha, Sutasinee Apichai, Suporn Charumanee, Busaban Sirithunyalug, Fumihiko Ogata, Naohito Kawasaki, Chalermpong Saenjum

{"title":"Simultaneous Development and Validation of an HPLC Method for the Determination of Furosemide and Its Degraded Compound in Pediatric Extemporaneous Furosemide Oral Solution.","authors":"Katsanee Srejomthong, Thanawat Pattananandecha, Sutasinee Apichai, Suporn Charumanee, Busaban Sirithunyalug, Fumihiko Ogata, Naohito Kawasaki, Chalermpong Saenjum","doi":"10.3390/molecules30194031","DOIUrl":"https://doi.org/10.3390/molecules30194031","url":null,"abstract":"Furosemide (FUR) is a loop diuretic widely used in pediatric care. However, no standardized oral liquid formulation exists due to degradation concerns, particularly the formation of furosemide-related compound B (FUR-B). This study aimed to develop and validate the HPLC method for the simultaneous quantification of FUR, FUR-B, methylparaben (MP), and propylparaben (PP) in pediatric extemporaneous oral solutions. Chromatographic separation was achieved using a Symmetry® C18 column (4.6 × 250 mm, 5 µm) with a mobile phase of 0.1% acetic acid in water and acetonitrile (60:40, v/v) at 1.0 mL/min of flow with injection volume at 10 µL. Detection at 272 nm provided optimal sensitivity, especially for low concentrations of FUR-B. Forced degradation confirmed baseline separation of FUR from its degradation products. The condition showed high linearity (R2 > 0.995), accuracy (recoveries 98.2-101.0%), and precision (RSD ≤ 2%). Robustness and ruggedness tests under varied conditions, analysts, and intra-day yielded consistent performance. Application to extemporaneous formulations showed that refrigeration (2-8 °C) retained initial composition, while elevated temperatures (30 °C and 40 °C) promoted FUR degradation, with FUR-B increasing to 6.84% after 90 days and greater MP and PP degradation. This validated method offers a reliable analytical tool for monitoring chemical changes and supporting quality control of pediatric FUR extemporaneous formulations.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302266","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}

引用次数: 0

Insights of Nanostructured Ferberite as Photocatalyst, Growth Mechanism and Photodegradation Under H₂O₂-Assisted Sunlight. 纳米结构铁素体作为光催化剂、生长机理及其在h2o2辅助下的光降解研究。

IF 4.6 2区化学

Molecules Pub Date : 2025-10-09 DOI: 10.3390/molecules30194026

Andarair Gomes Dos Santos, Yassine Elaadssi, Virginie Chevallier, Christine Leroux, Andre Luis Lopes-Moriyama, Madjid Arab

{"title":"Insights of Nanostructured Ferberite as Photocatalyst, Growth Mechanism and Photodegradation Under H2O2-Assisted Sunlight.","authors":"Andarair Gomes Dos Santos, Yassine Elaadssi, Virginie Chevallier, Christine Leroux, Andre Luis Lopes-Moriyama, Madjid Arab","doi":"10.3390/molecules30194026","DOIUrl":"https://doi.org/10.3390/molecules30194026","url":null,"abstract":"In this study, nanostructured ferberites (FeWO4) were synthesized via hydrothermal routes in an acidic medium. It was then investigated as an efficient photocatalyst for degrading organic dye molecules, with methylene blue (MB) as a model pollutant. The formation mechanism of ferberite revealed that the physical form of the precursor, FeSO4·7H2O, acts as a decisive factor in morphological evolution. Depending on whether it is in a solid or dilute solution form, two distinct nanostructures are produced: nanoplatelets and self-organized microspheres. Both structures are composed of stoichiometric FeWO4 (Fe: 49%, W: 51%) in a single monoclinic phase (space group P2/c:1) with high purity and crystallinity. The p-type semiconductor behavior was confirmed using Mott-Schottky model and the optical analysis, resulting in small band gap energies (≈1.7 eV) favoring visible absorption light. Photocatalytic tests under simulated solar irradiation revealed rapid and efficient degradation in less than 10 min under near-industrial conditions (pH 5). This was achieved using only a ferberite catalyst and a low concentration of H2O2 (4 mM) without additives, dopants, or artificial light sources. Advanced studies based on photocurrent measurements, trapping and stability tests were carried out to identify the main reactive species involved in the photocatalytic process and better understanding of photodegradation mechanisms. These results demonstrate the potential of nanostructured FeWO4 as a sustainable and effective photocatalyst for water purification applications.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 19","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145302165","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}

引用次数: 0

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