ChemistrySelect最新文献_第9页

Exploring the Structure and Intermolecular Interactions in a Novel Copper-Cytosine Supramolecular Polymer Using Density Functional Theory

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-21 DOI: 10.1002/slct.202405267

Dr. Jintha Thomas-Gipson

{"title":"Exploring the Structure and Intermolecular Interactions in a Novel Copper-Cytosine Supramolecular Polymer Using Density Functional Theory","authors":"Dr. Jintha Thomas-Gipson","doi":"10.1002/slct.202405267","DOIUrl":"https://doi.org/10.1002/slct.202405267","url":null,"abstract":"In this work, we report the synthesis and structure of a new complex containing the [Cu(C4H5N3O)4]2+ cationic unit where the N3 nitrogen atoms of the four cytosine are coordinated to the equatorial positions of the central copper atom. There exist bifurcated intramolecular hydrogen bonds among the amine and keto groups of the cytosines which reinforce the molecular structure of the complex entity. The expected cytosine-cytosine base pairing is hindered by the sulphate counterion that interacts with the sugar edge of the nucleobase. As a result, the interactions between adjacent cytosines follow a nonconventional hydrogen bonding pattern giving rise to supramolecular ribbons of [Cu(C4H5N3O)4]2+ discrete entities. It is noteworthy to observe the presence of an, otherwise repulsive, close contact between keto•••keto groups of cytosine molecules of adjacent units. Geometry optimization calculations are performed on a finite structural model consisting of two interacting monomers by using dispersion corrected density functional theory calculations with the code DMOL3, which gives evidence on the structural features that stabilizes the supramolecular array even in the presence of the shorter oxygen•••oxygen distances.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 12","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689211","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 Anti-Aging Activity Exploration of Cycloastragenol Derivatives

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-21 DOI: 10.1002/slct.202405831

Chen Wang, Hai-di Wu, Prof. Xiao-dong Mu, Prof. Jing-yong Sun

引用次数: 0

Study of the Effect of Bi and Ce Doping on the Performance of the VWTi Catalyst for Reduction of Nitrogen Oxides

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-21 DOI: 10.1002/slct.202500499

Tianzhu Shao, Qi Wang, Jiahao Wei, Gonggang Sun, Xinbao Li

{"title":"Study of the Effect of Bi and Ce Doping on the Performance of the VWTi Catalyst for Reduction of Nitrogen Oxides","authors":"Tianzhu Shao, Qi Wang, Jiahao Wei, Gonggang Sun, Xinbao Li","doi":"10.1002/slct.202500499","DOIUrl":"https://doi.org/10.1002/slct.202500499","url":null,"abstract":"Ce-doped V2O5-WO3/TiO2 (CeVWTi) and its subsequent modifications have been recognized as effective catalysts for the selective catalytic reduction of NO. Herein, CeVWTi catalysts doped with varying amounts of bismuth sulfate (Bi2(SO4)3) were synthesized and evaluated for their activity and alkali resistance. These catalysts were characterized using XPS, BET, SEM, H2-TPR, NH3-TPD, and XRD techniques. The optimal doping level of Bi2(SO4)3 was 1 wt.%. The NO conversion rate of the catalyst co-doped with Ce and Bi was 71.6% under the reaction conditions of 300 °C, gas hour space velocity (GHSV) = 200,000 h−1 with a gas composition of 550 ppm NO, 550 ppm NH3, 5.6% O2, and N2 as the balance. The NO conversion efficiency of the Bi0.01CeVWTi catalyst was maintained at 90.7% after the addition of 1 wt.% KCl poisoning under the reaction conditions of 350 °C, GHSV = 200,000 h−1, 550 ppm NO, 550 ppm NH3, 5.6% O2, and N2 as the balance. Characterization showed that, despite the reduction in the specific surface area of the catalyst and some acidic sites due to Bi doping, the redox performance of Bi0.01CeVWTi was significantly enhanced. The excellent redox performance was maintained even after KCl poisoning.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 12","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689209","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

Organocatalyzed α-Deuteration of Ketones and Bioactive Carbonyl Compounds Using D2O as Deuterium Source

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-21 DOI: 10.1002/slct.202405725

Pooja Goyal, Akhil K. Dubey, Raghunath Chowdhury

引用次数: 0

Enhanced Antimicrobial and Antiseptic Effects of Polyethylene Glycol –Citric Acid Hyperbranched Polymer-Antibiotic Combinations against Multidrug-Resistant Natural Isolates

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-21 DOI: 10.1002/slct.202405159

Aniruddha Mukherjee, Anirban Mukherjee, Diptesh Chakraborty, Sayan Basak, Reetika Sarkar, Sayantani Bhattacharya, Abhijit Bandyopadhyay

{"title":"Enhanced Antimicrobial and Antiseptic Effects of Polyethylene Glycol –Citric Acid Hyperbranched Polymer-Antibiotic Combinations against Multidrug-Resistant Natural Isolates","authors":"Aniruddha Mukherjee, Anirban Mukherjee, Diptesh Chakraborty, Sayan Basak, Reetika Sarkar, Sayantani Bhattacharya, Abhijit Bandyopadhyay","doi":"10.1002/slct.202405159","DOIUrl":"https://doi.org/10.1002/slct.202405159","url":null,"abstract":"Our primary motivation stems from the success of antibiotics in combating infectious diseases, which has profoundly influenced human society. However, it has also led to the emergence of multidrug-resistant (MDR) bacterial strains, posing significant challenges to global health. These pathogens driven by the overuse and misuse of antibiotics have developed mechanisms such as enzymatic degradation, target modification, and efflux pumps to resist traditional treatments. In this context, hyperbranched polymers (HBPs) offer a promising alternative due to their unique branched structure and customizable properties, which can disrupt bacterial membranes and inhibit biofilm formation.Thus, with this backdrop this study explores the synergistic effects of polyethylene glycol (PEG) and citric acid-based HBPs in combination with the aminoglycoside antibiotic streptomycin against MDR bacteria. Utilizing cup-plate assays, growth curve analysis, UV–vis spectroscopy, DNA gel electrophoresis, septicemia tests, and in silico molecular docking, we demonstrate the enhanced antimicrobial efficacy of these combinations. Our findings suggest that HBPs can significantly boost antibiotic effectiveness, delay resistance development, and provide a novel approach to treating MDR infections. The PEG-citric acid HBPs, particularly in 1:5 (S4) and 1:6 (S5) ratios, exhibit notable potential in synergistic therapy, offering a valuable tool in the fight against resistant bacterial pathogens.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 12","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689520","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, and Biological Evaluation of Novel 3′-Deoxy-3′-[1,4-Disubstituted-1,2,3-Triazolyl] Uridine Analogues Using CuAAC as Potential Human RNR Inhibitors

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-21 DOI: 10.1002/slct.202405264

Ahmed Ibrahim, Tareq Abu-Izneid, Abdullah Saleh

{"title":"Design, Synthesis, and Biological Evaluation of Novel 3′-Deoxy-3′-[1,4-Disubstituted-1,2,3-Triazolyl] Uridine Analogues Using CuAAC as Potential Human RNR Inhibitors","authors":"Ahmed Ibrahim, Tareq Abu-Izneid, Abdullah Saleh","doi":"10.1002/slct.202405264","DOIUrl":"https://doi.org/10.1002/slct.202405264","url":null,"abstract":"Ribonucleotide reductases (RNRs) are overexpressed in various types of cancers, and they affect the deoxyribonucleotide concentration in the cells through the catalytic removal of 2′-OH in the ribonucleotides. This shows their importance in cancer cell rapid division and playing a vital role in the cellular life cycle. Here, we report the synthesis of 2 novel uridine analogues bearing 1,4-disubstituted-1,2,3-triazole at the 3′-C. Molecular docking analysis of all proposed analogues showed binding affinity between −7.8 and −8.8 kcal/mol. Analysis of the ligand–protein interactions indicated that the added functional groups formed additional interactions with the enzyme including H-bonding between the 1,2,3-tirazole and CYS218. Biological testing of the synthesized analogues via MTT and wound healing assays proved the potential anticancer activity carried by the introduction of the 1,2,3-triazole ring at the 3′-C. The analogues had cytotoxic activity represented in a reduction in cell viability for up to 74.18% viable cells at 100 µM against H292 and MCF7 cancer cells and anti-metastatic activity against A549 cancer cells. This anticancer activity is hypothesized to be enhanced after the introduction of a monophosphate group at 5′-C due to reduced first phosphorylation of nucleoside analogues.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 12","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689210","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

Lipophilic Trimethoprim Analogues and Their Potent Antibacterial Activity Against Trimethoprim-Resistant MRSA

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-21 DOI: 10.1002/slct.202500241

Taechin Nowwarat, Apisara Baicharoen, Dr. Chutima Jiarpinitnun

{"title":"Lipophilic Trimethoprim Analogues and Their Potent Antibacterial Activity Against Trimethoprim-Resistant MRSA","authors":"Taechin Nowwarat, Apisara Baicharoen, Dr. Chutima Jiarpinitnun","doi":"10.1002/slct.202500241","DOIUrl":"https://doi.org/10.1002/slct.202500241","url":null,"abstract":"The alarming emergence of methicillin-resistant Staphylococcus aureus (S. aureus) or MRSA has posed a severe threat worldwide. In addition to β-lactam antibiotics, MRSA has also been reported resistance towards other antibiotics, including trimethoprim. The rise of multi-drug resistance has called for new antibacterial strategies. In this study, we revisited trimethoprim and its binding to dihydrofolate reductase (DHFR) in trimethoprim-resistant strains. S. aureus DHFR has a shallow surface cavity that is electron-rich. Therefore, incorporating lipophilic groups into trimethoprim could improve its binding to S. aureus DHFR and potentially enhance antibacterial activity. We synthesized lipophilic trimethoprim derivatives and subjected to susceptibility testing against methicillin-susceptible S. aureus, global predominant MRSA USA300 strain, and trimethoprim-resistant MRSA strain COL. (E)-5-(3,4-dimethoxy-5-(4-methoxystyryl)benzyl) pyrimidine-2,4-diamine or TMP-sytrene-OMe (6) was the most potent growth inhibitory activity with minimum inhibitory concentration (MIC) of 4 µg/mL and minimum bactericidal concentration (MBC) of 8 µg/mL against trimethoprim-resistant strain COL. The modification led to a significant improvement over TMP. DHFR kinetic assay indicated that compound 6 inhibited DHFR-catalyzed reaction in concentration-dependent manner. Molecular docking studies suggested the increase of binding interactions to S. aureus DHFR and trimethoprim-resistant S1DHFR when compared to trimethoprim. These findings underscore the promise of lipophilic-incorporated trimethoprim derivatives as effective antibiotics against MRSA infections.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 12","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689231","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

An Accessible Continuous Flow Procedure for the Enantioselective Desymmetrization of a Key Precursor of Bioactive Myo-Inositol Derivatives

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-21 DOI: 10.1002/slct.202405535

Evelin A. Manoel, Marcela G. Vasconcelos, Denise M. G. Freire, Alessandro B. C. Simas

{"title":"An Accessible Continuous Flow Procedure for the Enantioselective Desymmetrization of a Key Precursor of Bioactive Myo-Inositol Derivatives","authors":"Evelin A. Manoel, Marcela G. Vasconcelos, Denise M. G. Freire, Alessandro B. C. Simas","doi":"10.1002/slct.202405535","DOIUrl":"https://doi.org/10.1002/slct.202405535","url":null,"abstract":"We report herein continuous flow conditions for the TL-IM lipase-catalyzed enantioselective desymmetrization of 4,6-di-O-benzyl-myo-inositol, a relevant precursor of bioactive myo-inositol derivatives to the D-1-O-acetyl derivative. This study represents the first example of enantioselective desymmetrization of an inositol under continuous flow conditions. Given the roles of myo-inositol derivatives in cell biology research and medicine, practical, sustainable, and efficient preparative procedures for chiral inositols are highly desirable. Upon testing substrate solutions in vinyl acetate/hexanes at various ratios and passing them through a packed-bed lipase reactor, a home-made assembly, we identified optimal conditions. Reactions conducted in a 1.0:1.5 vinyl acetate/hexanes mixture at 45 °C achieved conversions of 97–95% with residence times of 2.6–1.6 min, respectively. Notably, reactions in a more hydrophobic solvent system (1.0:2.5 vinyl acetate/hexanes) also showed high conversions (95%) at a 1.6-min residence time, highlighting the benefits of increased solvent hydrophobicity. Productivity assessments and reuse experiments confirmed the robustness of the biocatalyst under flow conditions, contrasting with a significant decline in performance under batch conditions.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 12","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689208","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 Catalytic Approaches for Pyrano[2,3-c]Pyrazole Synthesis: Green and Sustainable Perspectives

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-21 DOI: 10.1002/slct.202405906

Pavitra Ratanpara, Rizwan Chavda, Dr. Parin Kanaiya, Dr. Mayank Sharma

引用次数: 0

Smart Construction of MoS₂ on Carbon Cloth Flexible Electrodes as High-Performance Anode for Lithium-Ion and Sodium-Ion Batteries

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-20 DOI: 10.1002/slct.202405597

Zhen Liu, Hui Li, Zhiyang Gao, Lige Bi, Meili Qi, Xin Mu, Keming Jia

{"title":"Smart Construction of MoS₂ on Carbon Cloth Flexible Electrodes as High-Performance Anode for Lithium-Ion and Sodium-Ion Batteries","authors":"Zhen Liu, Hui Li, Zhiyang Gao, Lige Bi, Meili Qi, Xin Mu, Keming Jia","doi":"10.1002/slct.202405597","DOIUrl":"https://doi.org/10.1002/slct.202405597","url":null,"abstract":"A self-supporting flexible electrode, composed of 1T phase MoS₂ nanosheets synthesized on carbon cloth, was fabricated using a one-step hydrothermal method. This electrode material exhibits outstanding electrochemical performance when utilized as the anode for both lithium-ion and sodium-ion batteries. In lithium-ion batteries, a capacity of approximately 600 mAh g⁻¹ is retained after 150 cycles at a current density of 0.1 A g⁻¹. In sodium-ion batteries, a high capacity of 500 mAh g⁻¹ is sustained even after 100 cycles. Compared to both powder MoS₂ and carbon cloth with MoS₂ that has been grown and treated through annealing, the self-supporting flexible electrodes demonstrate enhanced electrochemical performance. This enhanced performance can be attributed to the carbon cloth substrate, which significantly enhances the stability and conductivity of MoS₂. In contrast, annealing induces a transformation of 1T-phase MoS₂ into the more stable yet less conductive 2H phase, thereby diminishing its electrochemical efficiency. This underscores the benefits of the unannealed MoS₂-carbon cloth composite material.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 12","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689174","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