ChemistrySelect最新文献

Synthesis, Characterization, and Anticancer Activity of Difluoromethoxy-Substituted Benzo[d]Imidazole Derivatives: Experimental and Computational Studies 二氟甲氧基取代苯并咪唑衍生物的合成、表征和抗癌活性：实验和计算研究

IF 2 4区化学

ChemistrySelect Pub Date : 2025-10-14 DOI: 10.1002/slct.202503545

Mahadevi Vitthal Kendre, Dr. Sachin S. Bhusari, Dr. Pravin S. Wakte

引用次数: 0

Advances and Applications of Polymer Photocatalysts: Focus on Macromolecular Photocatalysts 高分子光催化剂的研究进展与应用：以大分子光催化剂为重点

IF 2 4区化学

ChemistrySelect Pub Date : 2025-10-14 DOI: 10.1002/slct.202501352

Xihong Wang, Jinhai Yuan, Mi Zhang, Ziyi Yang, Xiaopeng Hou, Qi Sun, Chunyan Zhong, Yongquan Wu, Shengwei Guo, Tianyi Long

{"title":"Advances and Applications of Polymer Photocatalysts: Focus on Macromolecular Photocatalysts","authors":"Xihong Wang, Jinhai Yuan, Mi Zhang, Ziyi Yang, Xiaopeng Hou, Qi Sun, Chunyan Zhong, Yongquan Wu, Shengwei Guo, Tianyi Long","doi":"10.1002/slct.202501352","DOIUrl":"https://doi.org/10.1002/slct.202501352","url":null,"abstract":"Polymer photocatalysts have shown great potential in the field of photocatalysis due to their unique physical and chemical properties, and have become a research hotspot in recent years. The paper systematically reviews the advances and applications of polymeric photocatalysts, explains their basic principles and photocatalytic reaction mechanism, and discusses the relationship between structure and performance. It introduces the types and characteristics of various polymer photocatalysts, sorts out various preparation methods such as in situ polymerization and blending, and explores performance optimization strategies, including structural regulation and defect engineering, and summarizes its current application status in environmental governance, organic synthesis, energy production, and other fields, analyzes the shortcomings of current research in stability studies and mechanism exploration, as well as the challenges faced in terms of technology, cost, and practical applications. It also looks forward to the future development direction from the aspects of high-performance material research and development, multifunctional integration, and technological coupling, providing guidance for further advances and applications in this field.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 39","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284640","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Enhancing CO2 Adsorption: Comparative Study of Single-Step and Dual-Step NaOH Activation on N-Doped Tea Residue-Derived Activated Carbon 增强CO2吸附：n掺杂茶渣衍生活性炭单步和双步NaOH活化的比较研究

IF 2 4区化学

ChemistrySelect Pub Date : 2025-10-14 DOI: 10.1002/slct.202500938

Amirul Hafiiz Ruhaimi, Prof. Aishah Abdul Jalil, Dr. Muhammad Arif Ab Aziz

{"title":"Enhancing CO2 Adsorption: Comparative Study of Single-Step and Dual-Step NaOH Activation on N-Doped Tea Residue-Derived Activated Carbon","authors":"Amirul Hafiiz Ruhaimi, Prof. Aishah Abdul Jalil, Dr. Muhammad Arif Ab Aziz","doi":"10.1002/slct.202500938","DOIUrl":"https://doi.org/10.1002/slct.202500938","url":null,"abstract":"An ammonia-enriched tea residue underwent single-step and dual-step activation procedures using NaOH as the activating agent, yielding an N-doped activated carbon for CO2 adsorption applications. Characterization results showed that the two NaOH activation procedures produced contrasting physicochemical outcomes for the activated carbon: the single-step process resulted in a higher surface-rich functional group, while the dual-step process enhanced structural properties. The single-step prepared adsorbent (NAC-S) exhibited double the N-doped carbon composition compared to NAC-D (dual-step), whereas NAC-D achieved nearly 200% higher structural properties than NAC-S. The addition of CO2-affinity functional groups—such as pyrrolic-N, pyridonic-N, and pyridinic-N—along with oxy-carbon structures on NAC-S contributed to a promising CO2 uptake capacity of approximately 6.06 mmol/g at 298 K and atmospheric pressure, about 47% higher than that of NAC-D. Moreover, NAC-S has also demonstrated significant improvement, likely due to supplementary NaOH-induced metal functionalization, with CO2 uptake six times higher than commercial activated carbon (CAC). These results support the potential of the single-step NaOH activation procedure as a promising pathway for preparing activated carbon with enhanced CO2 adsorption performance, compared to currently available commercial AC.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 39","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

One-Pot Synthesis and Computational Studies of Methyl Gallate-Based 1,3-Oxazine Derivatives with Promising Antioxidant Activity 以没食子酸甲酯为基础的具有良好抗氧化活性的1,3-恶嗪衍生物的一锅合成及计算研究

IF 2 4区化学

ChemistrySelect Pub Date : 2025-10-14 DOI: 10.1002/slct.202503690

Miraj Patel, Rakesh Khadadiya, Sonal Thakore

{"title":"One-Pot Synthesis and Computational Studies of Methyl Gallate-Based 1,3-Oxazine Derivatives with Promising Antioxidant Activity","authors":"Miraj Patel, Rakesh Khadadiya, Sonal Thakore","doi":"10.1002/slct.202503690","DOIUrl":"https://doi.org/10.1002/slct.202503690","url":null,"abstract":"The development of novel heterocyclic scaffolds with potent antioxidant properties remains a crucial area of medicinal chemistry. In this study, a new series of methyl gallate (MG)-based bis-benzoxazine derivatives was synthesized via an efficient one-pot, multicomponent reaction (MCR) strategy. This work introduces an application of the MG core in the construction of 1,3-oxazine frameworks, incorporating diverse amine functionalities to enhance biological relevance. Eight derivatives were synthesized and structurally confirmed using FTIR, 1H and 13C NMR, mass spectrometry, and elemental analysis. Antioxidant activity was evaluated through the DPPH free radical scavenging method, where most compounds exhibited moderate to strong activity compared to ascorbic acid (AA). Among them, the indole-containing derivative (1g) demonstrated remarkable antioxidant potential. Density functional theory (DFT) calculations provided insights into molecular stability and electronic distribution, supporting experimental observations. ADMET predictions indicated favorable pharmacokinetic and safety profiles. Molecular docking studies against Human Peroxiredoxin 5 (PDB ID: 1HD2) revealed significant binding affinity of 1g, and molecular dynamics (MD) simulations further validated the conformational stability of the compound 1g–1HD2 complex. This study expands the utility of the MG scaffold in heterocyclic drug design and introduces a novel chemotype with therapeutic potential.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 39","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284638","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Ni3Al1-LDH@ZIF-8 Performance Study of Electrocatalytic Reduction of CO2 to CO Ni3Al1-LDH@ZIF-8电催化还原CO2制CO的性能研究

IF 2 4区化学

ChemistrySelect Pub Date : 2025-10-14 DOI: 10.1002/slct.202503362

Jia Li, Jinyu Wang, Tianxia Liu

{"title":"Ni3Al1-LDH@ZIF-8 Performance Study of Electrocatalytic Reduction of CO2 to CO","authors":"Jia Li, Jinyu Wang, Tianxia Liu","doi":"10.1002/slct.202503362","DOIUrl":"https://doi.org/10.1002/slct.202503362","url":null,"abstract":"Electrocatalytic reduction of CO2 to value-added products is a mild and clean method to tackle climate change and energy demands. In this paper, the composite catalysts of xNi3Al1-LDH@ZIF-8 (x = 0.2, 0.5, and 0.8 g) were synthesized by changing the input of Ni3Al1-LDH in the process of preparing. The catalyst crystalline structure, morphology, surface area, and composition were characterized, and the performance of electrocatalytic reduction of CO2 was also evaluated. The results showed that the material of 0.5Ni3Al1-LDH@ZIF-8 was a rhombic dodecahedron structure with surface attached lamellae structure. The 0.5Ni3Al1-LDH@ZIF-8 had a relatively maximum partial current density of CO is 24.0 mA cm−2, and the maximum faraday efficiency of CO (FECO) was 94.45% when applies voltage at −1.4 V versus reversible hydrogen electrode (versus RHE). During electrolysis for 13500 s, the average current density of 0.5Ni3Al1-LDH@ZIF-8 electrode was about 25.8 mA cm−2, and FECO was stable at 91 ± 2%, which showed that the 0.5Ni3Al1-LDH@ZIF-8 composite had good catalytic stability. This research explores a new method of combining hydrotalcite metal–organic framework as electrocatalyst in catalytic field, which provides a new idea of exploration prospect for the design of electrocatalyst in catalytic field.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 39","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Recent Advances in Iridium-Catalyzed Cascade Reactions 铱催化级联反应的最新进展

IF 2 4区化学

ChemistrySelect Pub Date : 2025-10-14 DOI: 10.1002/slct.202503899

Bijju Parvathy, C. M. A. Afsina, Prof. Dr. Gopinathan Anilkumar

引用次数: 0

Physico-Chemical Properties of Spin-Coated Nanostructured TiO2 Thin Films 自旋包覆纳米TiO2薄膜的物理化学性质

IF 2 4区化学

ChemistrySelect Pub Date : 2025-10-14 DOI: 10.1002/slct.202503321

N. L. Tarwal, K. V. Patil, R. S. Redekar, P. M. Shirage

引用次数: 0

Phytochemical Profiling and In Vitro/In Silico Evaluation of α-Glucosidase Inhibition, Antimicrobial and Antioxidant Activities in Retama monosperma Decoctions 单精子雷塔玛煎剂α-葡萄糖苷酶抑制、抗菌和抗氧化活性的植物化学特征及体外/硅评价

IF 2 4区化学

ChemistrySelect Pub Date : 2025-10-14 DOI: 10.1002/slct.202501730

Dr. Manal Zefzoufi, Anas Salihi, Saadia El Khaldi, Prof. Hafida Bouamama, Prof. Abdelkarim Mouzdahir, Prof. Bakhouch Mohamed, Prof. Rabiaa Fdil

{"title":"Phytochemical Profiling and In Vitro/In Silico Evaluation of α-Glucosidase Inhibition, Antimicrobial and Antioxidant Activities in Retama monosperma Decoctions","authors":"Dr. Manal Zefzoufi, Anas Salihi, Saadia El Khaldi, Prof. Hafida Bouamama, Prof. Abdelkarim Mouzdahir, Prof. Bakhouch Mohamed, Prof. Rabiaa Fdil","doi":"10.1002/slct.202501730","DOIUrl":"https://doi.org/10.1002/slct.202501730","url":null,"abstract":"The current study aimed to investigate the phytochemical composition of R. monosperma's decoction by UHPLC/DAD/ESI-MS, and to evaluate its antidiabetic, antioxidant, and antibacterial effects. Quinolizidine alkaloids and flavonoids were identified. Vitexin, saponarin, vicenin-2, and pinocembrin have never been found before in R. monosperma. Hydroxylupanine was also identified in R. monosperma L. for the first time. Antioxidant capacity was evaluated through four assays: DPPH radical scavenging, hydrogen peroxide scavenging, conjugated diene, and TBARS. Antibacterial activity was determined by disc diffusion and MIC assays, while α-glucosidase inhibition was used to examine the antidiabetic potential of the decoction. In silico studies were also performed to investigate the antioxidant affinity of R. monosperma metabolites. The SAE (seeds aqueous extract) and CAE (cladodes aqueous extract) exhibited strong antioxidant activity, while FAE (flowers aqueous extract) showed moderate activity overall. SAE demonstrated a higher inhibitory effect on α-glucosidase followed by FAE and CAE surpassing acarbose. Molecular docking showed that saponarin and vicenin-2, followed by vitexin and genistin, are the key flavonoids contributing to the high antioxidant potency of seed decoction. Saponarin and vicenin-2 are highly active against the NADPH oxidase protein initiating the antioxidant phenomenon. The ADME-Tox profiling study showed that the four active compounds are well metabolized and are neither toxic nor carcinogenic. When using a decoction of R. monosperma in traditional medicine, particular attention should be paid to the fact that in addition to their pharmacological properties, quinolizodine alkaloids herein identified exhibit toxicological activities, including hallucinogenic properties.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 39","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Novel Coumarin Derivatives: Synthesis, Characterization, Cytogenetics Effects on Allium cepa Root Cells, In Silico Molecular Docking, Structural and Electronic Analysis Studies 新型香豆素衍生物：合成、表征、对洋葱根细胞的细胞遗传学影响、硅分子对接、结构和电子分析研究

IF 2 4区化学

ChemistrySelect Pub Date : 2025-10-14 DOI: 10.1002/slct.202502679

Nisa Gümüş, Mehmet Gümüş, H. Erhan Eroğlu, Yusuf Sert, Irfan Koca

{"title":"Novel Coumarin Derivatives: Synthesis, Characterization, Cytogenetics Effects on Allium cepa Root Cells, In Silico Molecular Docking, Structural and Electronic Analysis Studies","authors":"Nisa Gümüş, Mehmet Gümüş, H. Erhan Eroğlu, Yusuf Sert, Irfan Koca","doi":"10.1002/slct.202502679","DOIUrl":"https://doi.org/10.1002/slct.202502679","url":null,"abstract":"Coumarin compounds are found in the structures of many plants in nature and play important roles in plant physiology. In this study, novel coumarin compounds (CT) were synthesized through a three-step reaction and characterized. Subsequently, the cytotoxic and genotoxic effects of the synthesized compounds on the development of Allium cepa cells were investigated. Additionally, optimized structure, HOMO–LUMO, MEP analysis, and molecular docking studies were performed within the scope of theoretical studies. Cytogenetic effects were investigated in A. cepa root cells using the Allium test system at six different doses (0.5, 1.0, 5.0, 10.0, 50, and 100 µM). Cytogenetic studies showed that 0.5 µM doses of CT-4 and 1.0 µM doses of CT-5 did not have a significant toxic effect on the development of A. cepa plant (p > 0.05). According to the findings obtained from theoretical studies, when the optimized structures were compared, CT-4 was found to be the most stable molecule among all molecules, while CT-5 had the best interaction with the PDB:2YOK protein, with a binding energy of −10.4 kcal/mol. When the experimental and theoretical studies are evaluated, it is thought that CT-4 and CT-5 compounds can be considered as potential fungicide candidates for A. cepa root cells.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 39","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Extensive Characterization and Exploration of Anticancer Activity and Catalytic Properties of Magnetite Nanoparticles Using Bryophyllum Pinnatum 利用苔藓藻制备的磁性纳米颗粒抗癌活性和催化性能的广泛表征和探索

IF 2 4区化学

ChemistrySelect Pub Date : 2025-10-14 DOI: 10.1002/slct.202504148

Vasanthi Srinivasan Subasini, Chinnasamy Deepa

{"title":"Extensive Characterization and Exploration of Anticancer Activity and Catalytic Properties of Magnetite Nanoparticles Using Bryophyllum Pinnatum","authors":"Vasanthi Srinivasan Subasini, Chinnasamy Deepa","doi":"10.1002/slct.202504148","DOIUrl":"https://doi.org/10.1002/slct.202504148","url":null,"abstract":"Magnetite nanoparticles have emerged as a promising material for cancer treatment because of their biocompatibility. Consequently, this study explores the novel approach of Bryophyllum Pinnatum leaf extract assists in the synthesis of magnetite (Fe3O4) nanoparticles (NPs) integrated with zinc (Zn). X-ray diffraction spectrum of Fe3O4 NPs demonstrates a face-centered cubic structure with crystallite size in the range of 6–12 nm. Optical band gap energy is determined to be 1.64–1.89 eV. SEM and EDX disclose an irregular shape with agglomerated particles and the existence of Fe, O, and Zn elements. The cytotoxic potential of Zn-doped Fe3O4 NPs was scrutinized against the human cervical (HeLa) cell line by MTT assay at various dosages. The results revealed good inhibitory concentration for zinc-doped Fe3O4 NPs, portraying an antiproliferative impact on the HeLa cell line with IC50 of 113.5 µg/mL. The photo-Fenton catalytic potential of magnetite NPs is evaluated for malachite green (MG) dye, which encompasses 99% of degradation in 80 min using UV light, exhibiting high catalytic performance. This study highlights the dual functionality of magnetite NPs as a nanomedicine for therapeutic applications and an efficient catalyst for environmental remediation.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 39","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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