ChemistrySelect最新文献_第2页

Synthesis of Mixed Oxides Through the Hydrolysis of Ionic Liquids and Assessment of Their Catalytic Activity in the Hydrogenation of CO2 离子液体水解合成混合氧化物及其对CO2加氢催化活性的评价

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-24 DOI: 10.1002/slct.202501535

Inayá F. S. Bussolo, Cecília A. Silveira, Virgínia S. Souza, Daniel Rapachi, Marcos A. Gelesky, Jackson D. Scholten

引用次数: 0

High-Performance Ag–TiO2–SiO2 Hybrid Nanocomposite for Corrosion Protection: A Sustainable Solution 高性能Ag-TiO2-SiO2复合纳米材料防腐：可持续解决方案

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-24 DOI: 10.1002/slct.202501969

Annie Celin G, Jyoti Sahu

{"title":"High-Performance Ag–TiO2–SiO2 Hybrid Nanocomposite for Corrosion Protection: A Sustainable Solution","authors":"Annie Celin G, Jyoti Sahu","doi":"10.1002/slct.202501969","DOIUrl":"https://doi.org/10.1002/slct.202501969","url":null,"abstract":"Corrosion is the progressive deterioration of metals due to chemical interactions with the environment. This involves the appearance of rust, typically in aquatic settings under moisture and oxygen. This work introduces hybrid Ag–TiO₂–SiO₂ nanoparticles as a protective covering of mild steel in harsh environments. While the synthesis of TiO₂–SiO₂ nanoparticles was done using the sol-gel technique, AgNPs were synthesized in green from almond leaf extract. The hybrid nanocomposite was sputtered onto mild steel to promote adhesion and ensure long-term protection. The structural and compositional investigation of XRD, SEM, and FTIR accorded the coating integrity. Electrochemical experiments revealed high corrosion resistance, minimal metal degradation, and an impressive 97.5% inhibition efficiency. In addition to corrosion protection, the coating displayed antibacterial efficiency. It was quantified using distinct and measurable zones of inhibition studies against Escherichia coli and Staphylococcus aureus, which makes it suitable for applications where durability and cleanliness are desired. This study provides a sustainable and multipurpose response for high-tech maritime, biomedical, and industrial solutions in industries needing intense and persistent corrosion protection.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 28","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144688176","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

Triazoles Obtained by Nanocomposite-Catalyzed Click Reaction: Characterization, Theory, and Antiproliferative Action 纳米复合催化咔嗒反应制备的三唑：表征、理论和抗增殖作用

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-24 DOI: 10.1002/slct.202406049

Pradip Shit, Paromita Sarkar, Rameez Raza, Kakali Bhadra, Asoke P. Chattopadhyay

引用次数: 0

Multitarget Anticancer and Anti-Inflammatory Properties of a Novel Artesunate–Indole Hybrid: Synthesis and Functional Evaluation 一种新型青蒿琥酯-吲哚复合物的多靶点抗癌和抗炎特性：合成和功能评价

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-24 DOI: 10.1002/slct.202500933

Amine Hafis Abdelsalam, Dr. Emrah Kavak, Dr. Şevki Arslan, Dr. Arif Kivrak

{"title":"Multitarget Anticancer and Anti-Inflammatory Properties of a Novel Artesunate–Indole Hybrid: Synthesis and Functional Evaluation","authors":"Amine Hafis Abdelsalam, Dr. Emrah Kavak, Dr. Şevki Arslan, Dr. Arif Kivrak","doi":"10.1002/slct.202500933","DOIUrl":"https://doi.org/10.1002/slct.202500933","url":null,"abstract":"An amide-bridged artesunate–indole hybrid molecule (TRY–ART) was investigated for its anticancer and anti-inflammatory activities. Cytotoxicity studies revealed that TRY–ART exhibited significant cytotoxicity against Caco-2, LNCaP, HepG2, Ishikawa, and A549 cancer cell lines, with EC50 values of 120.2 ± 1.14, 79 ± 0.54, 137.9 ± 0.78, 94 ± 2.37, and 183 ± 1.65 µM, respectively. Apoptosis analysis demonstrated that TRY–ART significantly induced apoptotic events in all tested cancer cell lines. It revealed its pro-apoptotic potential by upregulating the expression levels of pro-apoptotic genes (BAX, CASP3, CASP8, CASP9, and P53) and downregulating the anti-apoptotic gene BCL2. Colony-formation assays showed a reduction in colony formation capacity, and wound-healing assays indicated its efficacy against cell migration. qRT-PCR analysis revealed strong anti-migration effects by downregulating migration-related genes (MMP2 and MMP9) and upregulating their inhibitors (TIMP1 and TIMP2). Furthermore, anti-inflammatory evaluation by the Griess method in Lipopolysaccharide (LPS)-induced RAW264.7 macrophages revealed that TRY–ART suppressed nitric oxide production by 35% and significantly downregulated pro-inflammatory genes (Cox-2, Inos, Tnf-α, and Il6) while upregulating the anti-inflammatory gene Il10. In conclusion, the newly synthesized amide-bridged artesunate–indole hybrid molecule, TRY–ART, exhibits promising anticancer and anti-inflammatory properties.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 28","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/slct.202500933","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144688256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Synthesis and Characterization of Some New Hybrids of 2-Chloroquinoline- Benzimidazole Chalcones as Potential Antibacterial Agents 新型2-氯喹啉-苯并咪唑查尔酮的合成与表征

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-24 DOI: 10.1002/slct.202406199

Manisha B. Karmur, Kalpna Rakholiya, Mital Kaneria, Sheetal B. Karmur, Atul Bapodra, Rashmiben Patel, Deepika Maliwal, Raghuvir R. S. Pissurlenkar, Naval P. Kapuriya, Jasmin Bhalodia

{"title":"Synthesis and Characterization of Some New Hybrids of 2-Chloroquinoline- Benzimidazole Chalcones as Potential Antibacterial Agents","authors":"Manisha B. Karmur, Kalpna Rakholiya, Mital Kaneria, Sheetal B. Karmur, Atul Bapodra, Rashmiben Patel, Deepika Maliwal, Raghuvir R. S. Pissurlenkar, Naval P. Kapuriya, Jasmin Bhalodia","doi":"10.1002/slct.202406199","DOIUrl":"https://doi.org/10.1002/slct.202406199","url":null,"abstract":"New antimicrobial agents, developed through the combination of two active pharmacophores, have proven to be effective strategies against multi-drug-resistant microbes. This study focuses on a series of newly synthesized benzimidazole-quinoline conjugates, which have been characterized and evaluated for their antimicrobial activity. The desired benzimidazole-quinoline hybrids (5a-k) were synthesized using a multistep process with high yields (87%–94%). Antimicrobial screening revealed that several of these synthesized hybrids demonstrated significant antimicrobial potential. In particular, Gram-negative bacteria such as E. coli and P. aeruginosa showed susceptibility, resulting in a significant bactericidal effect (MBC/MIC ≤ 4) when treated with these compounds in a dose-dependent manner. Among these, compounds 5f, 5g, and 5h were identified as the most active against E. coli and P. aeruginosa, demonstrating greater zones of inhibition compared to Tetracycline. Furthermore, molecular docking and simulation studies indicated that all active compounds effectively bind to the active sites of receptor proteins, with docking scores ranging from 7 to 12 kcal/mol, comparable to those of Tetracycline. This finding was further supported by root-mean-square deviation (RMSD) calculations. Given the complexity of the Gram-negative bacterial cell wall, which restricts many synthetic drugs, these new benzimidazole-quinoline conjugates (5f-h) may serve as promising leads for further development.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 28","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144688165","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

Synthesis and Comprehensive Characterization of Two Crown Inclusion Compounds with Phase Transitions 两种相变冠包合物的合成及综合表征

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-24 DOI: 10.1002/slct.202500221

Ziyue Zhang, Zhuoer Cai, Yinan Zhang, Jian Chen, Xiu-Ni Hua, Baiwang Sun, Haibao Duan

引用次数: 0

The Application of Aptamers in Pharmacological Drug Development and Therapeutic 适体在药物开发和治疗中的应用

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-23 DOI: 10.1002/slct.202502954

Nikolet Pavlova, Vanya Dyakova, Martina Traykovska, Dimitrios Kaloudas, Robert Penchovsky

{"title":"The Application of Aptamers in Pharmacological Drug Development and Therapeutic","authors":"Nikolet Pavlova, Vanya Dyakova, Martina Traykovska, Dimitrios Kaloudas, Robert Penchovsky","doi":"10.1002/slct.202502954","DOIUrl":"https://doi.org/10.1002/slct.202502954","url":null,"abstract":"As significant representatives of functional nucleic acids (FNAs), nucleic acid-based aptamers regulate various biological processes, playing a fundamental role in drug development and therapy. Aptamers are single-stranded nucleic acid molecules that can fold into unique 3D structures, allowing for specific binding to a wide range of targets. Their properties make them promising tools in therapeutics, diagnostics, and drug development. This review aims to summarize the current understanding of aptamers, their applications in pharmacology and medicine, and their potential as therapeutic agents, biosensors, and targets for drug discovery. We examined recent advances in aptamer selection technologies, including SELEX and its variants, and explored modifications to enhance aptamer stability and specificity. The review also covers the functional roles of aptamers in targeting proteins, metabolites, and regulatory riboswitches, with emphasis on their applications in disease treatment and diagnostics. Aptamers exhibit high affinity and specificity comparable to antibodies but offer advantages in synthesis, modification, and delivery. Several aptamer-based drugs have gained FDA approval, and novel therapeutic and diagnostic applications continue to emerge, including biosensors for heavy metals, cancer biomarkers, and viral pathogens like SARS-CoV-2.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 28","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144688004","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

Design, Synthesis, Structural Characterization, and Computational Evaluation of a Novel Isoquinoline Derivative as a Promising Anticancer Agent 一种新型异喹啉衍生物的设计、合成、结构表征和计算评价

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-23 DOI: 10.1002/slct.202502211

Youness El Bakri, Sabir Ali Siddique, Shaaban K. Mohamed, Muhammad Sarfraz, Etify A. Bakhite, Suzan Abuelhassan, Islam S. Marae, Shaban A. A. Abdel-Raheem, Rashad Al-Salahi, Joel T. Mague

{"title":"Design, Synthesis, Structural Characterization, and Computational Evaluation of a Novel Isoquinoline Derivative as a Promising Anticancer Agent","authors":"Youness El Bakri, Sabir Ali Siddique, Shaaban K. Mohamed, Muhammad Sarfraz, Etify A. Bakhite, Suzan Abuelhassan, Islam S. Marae, Shaban A. A. Abdel-Raheem, Rashad Al-Salahi, Joel T. Mague","doi":"10.1002/slct.202502211","DOIUrl":"https://doi.org/10.1002/slct.202502211","url":null,"abstract":"Heterocyclic compounds, including isoquinoline derivatives with oxygen and sulfur groups, are important in anticancer drug discovery. They show strong biological activity and structural diversity. Medicinal studies, molecular docking, and DFT analysis help understand their effectiveness, binding ability, and stability. For this purpose, we synthesized a new isoquinoline derivative (AHIC). Its structure was verified by single-crystal X-ray analysis. The compound's geometry, FMO, and MEP were analyzed using DFT, supported by experiments. Hirshfeld surface, 3D energy framework, NLO, and NBO analyses identified hydrogen bonds affecting crystal packing. The compound shows strong NLO properties, high charge transfer, and stability, suggesting potential as an anticancer drug. The medicinal potential of AHIC was evaluated through an in silico approach in which it proved to be an effective candidate for anticancer drug development as it efficiently bound with the target substrates with binding energies of −6.87 and −6.31 Kcal/mol along with ligand efficacies of −0.24 and −0.22 Kcal/mol against Tdp1 and EGFR substrates. The MD simulation studies showed the stability of the ligand-protein complexes by calculating the RMSD for the conformation changes in the protein structure over the simulation trajectory and RMSF and SASA parameters for the accessibility of water molecules in the cell-like environment.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 28","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144688129","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

Synthesis, Biological Evaluation, and In Silico Studies of New Hydrazone-Sulfonate Hybrids as Dual Inhibitors of Carbonic Anhydrase and Cholinesterase Enzymes 作为碳酸酐酶和胆碱酯酶双重抑制剂的新型腙-磺酸盐杂交物的合成、生物学评价和硅研究

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-23 DOI: 10.1002/slct.202502100

Fatih Dedeoğlu, Asst. Prof. Murat Sunkur, Assoc. Prof. Dr. Aykut Öztekin

{"title":"Synthesis, Biological Evaluation, and In Silico Studies of New Hydrazone-Sulfonate Hybrids as Dual Inhibitors of Carbonic Anhydrase and Cholinesterase Enzymes","authors":"Fatih Dedeoğlu, Asst. Prof. Murat Sunkur, Assoc. Prof. Dr. Aykut Öztekin","doi":"10.1002/slct.202502100","DOIUrl":"https://doi.org/10.1002/slct.202502100","url":null,"abstract":"In this study, we synthesized two novel hydrazones (2a–f and 3a–f) and investigated their inhibitory properties against human carbonic anhydrase isoenzymes I and II (hCA I and hCA II), and acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) by in vitro assay and in silico approaches. All tested compounds indicated nanomolar inhibition with IC50 values in the range of 47.3–317.8 nM against hCA I, 71.9–376.2 nM against hCA II, 81.01–832.9 nM against AChE, and 134.5–2264 nM against BChE. Among the tested compounds, compounds 2a and 2b inhibited hCA I better compared to acetazolamide (AZA). All the molecules inhibited AChE better than rivastigmine. Compound 2f was the best inhibitor candidate for AChE. Compared to rivastigmine, some of the tested compounds (2b, 2c, 2f, 3a, and 3b) showed higher nanomolar inhibition against BChE. Compound 2b was the best multi-target inhibitor candidate against hCA I, hCA II, and BChE. Furthermore, B3LYP-D3BJ/6-311++G(d,p) method was used for geometric optimization and investigation of electronic properties of the compounds. Molecular docking and molecular dynamics simulations were applied to determine possible binding sites and analyze the interaction dynamics. Additionally, ADME, pharmacokinetic properties, and toxicological evaluation results of 2b and 2f were analyzed by SwissADME and ADMETlab 3.0.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 28","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144687855","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

The Adsorption Capacity and Binding of Titanium-Based Lithium Adsorbent H2TiO3 to Li+ 钛基锂吸附剂H2TiO3对Li+的吸附性能及结合

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-23 DOI: 10.1002/slct.202502513

Yan-Ru Wang, Jiang Zhao, Wei Zeng, Zheng-Tang Liu, Jian Hu, Cheng-Lu Jiang

引用次数: 0