ChemistrySelect最新文献_第3页

Preparation of Modified Cotton Fiber for Efficient Removal of Al(III) Ions from Aqueous Solutions: Adsorption Isotherms and Kinetic Studies

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-02-27 DOI: 10.1002/slct.202403517

Yasmeen G. Abou El-Reash

{"title":"Preparation of Modified Cotton Fiber for Efficient Removal of Al(III) Ions from Aqueous Solutions: Adsorption Isotherms and Kinetic Studies","authors":"Yasmeen G. Abou El-Reash","doi":"10.1002/slct.202403517","DOIUrl":"https://doi.org/10.1002/slct.202403517","url":null,"abstract":"In the present study, a new chelating cellulosic cotton fiber modified with ethylene diamine / eriochrome cyanine r (C-EDA-ECR) has been synthesized to separate Al3+ from a matrix of coexisting ions in aqueous solutions via the adsorption process. The cotton fiber was oxidized by periodate to give dialdehyde cellulosic cotton fiber before condensation with ethylene diamine (EDA) and then treated with eriochrome cyanine r (ECR). The successful propagation of (C-EDA-ECR) fiber was confirmed firs by elemental analysis. Then all samples were analyzed via (SEM) and (FTIR), N2 physisorption, and (EDX). Additionally, the adequate conditions needed for achieving the maximum adsorption amount of Al3+ onto C-EDA-ECR were examined, for instance, the impact of solution pH, amount of fiber, initial concentration of Al3+ in solution, the effect of changing temperature and contact time. The adsorption experiments proved that the amount of Al3+ loaded on the surface of C-EDA-ECR reached 48 mg/ g under ideal working conditions. Chemical adsorption was suggested as the rate-limiting step after 2nd-order model kinetic studies. As well, the Langmuir model proved to fit the adsorption isotherm experiments. The ability to apply the proposed method on some real samples containing Al3+ was carried out and the results are auspicious.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 9","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513495","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 Photocatalytic Ability of (Vanadium Carbide/MWCNT(x)) Nanocomposites as Catalysts for Detection and Degradation of the Isoniazid (ISN) Antibiotic Drug

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-02-27 DOI: 10.1002/slct.202404683

Shah Masheerul Aalam, Mohd Sarvar, Mohd Nadeem Bhat, Mohammad Moeen Hasan Raza, Javid Ali

{"title":"Recent Advances in Photocatalytic Ability of (Vanadium Carbide/MWCNT(x)) Nanocomposites as Catalysts for Detection and Degradation of the Isoniazid (ISN) Antibiotic Drug","authors":"Shah Masheerul Aalam, Mohd Sarvar, Mohd Nadeem Bhat, Mohammad Moeen Hasan Raza, Javid Ali","doi":"10.1002/slct.202404683","DOIUrl":"https://doi.org/10.1002/slct.202404683","url":null,"abstract":"The work reports on the degradation of isoniazid drug by using polyvinyl alcohol (PVA)/polyethylene glycol (PEG) with MWCNTs and V2C (MXene) as the nanocomposite materials. Using different ratios of vanadium carbide, the nano composites (MWCNTs@V2C) were created by sonication. 0.4 g of PEG and 1.6 g of PVA were sonicated in 20 mL of DMF together with 0.01 g of vanadium carbide or 0.5% of the total weight of the two polymers, PVA and PEG. The same weight % was used to prepare each of the four samples. When MWCNT was absent from the first sample, the weight percentage of MWCNT was altered by 0.1% of PVA/PEG/V2C@MWCNT in the second sample (i.e., 0.0020 g), 0. 15% of PVA/PEG/V2C@MWCNT in the third sample (i.e., 0.0030 g), and 0.20% of PVA/PEG/V2C@MWCNT in the fourth sample (i.e., 0.0040 g), respectively. The use of pure polymers and the nanocomposite V2C/MWCNT(x) (x = 2, 3, and 4 mg) as microwave-active catalysts promoted the breakdown of isoniazid drug. In comparison to the other three samples, the fourth sample at 150 mg showed the greatest degradation of 93%, concentration of (60 ppm) ISN. PVA/PEG/V2C@MWCNT of 0.004 g showed maximum degradation of 93% when vanadium carbide and different MWCNT concentrations were used as catalyst.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 9","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513523","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

GarlicScreen: A Novel Multi-Analytical Approach Combining Virtual Screening and Bland–Altman Statistics for Anthraquinone Dye Removal

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-02-27 DOI: 10.1002/slct.202405435

Dr. A. Amara-Rekkab, Dr. H. Belarbi, Prof. N. Elboughdiri

引用次数: 0

Progress in Sb2Se3 and Sb2S3-Based Solar Cells: SCAPS-1D and Experimental Investigations

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-02-27 DOI: 10.1002/slct.202404430

Praveen Kumar, Mohd Quasim Khan, Sanjeevamuthu Suganthi, Khursheed Ahmad, Tae Hwan Oh

{"title":"Progress in Sb2Se3 and Sb2S3-Based Solar Cells: SCAPS-1D and Experimental Investigations","authors":"Praveen Kumar, Mohd Quasim Khan, Sanjeevamuthu Suganthi, Khursheed Ahmad, Tae Hwan Oh","doi":"10.1002/slct.202404430","DOIUrl":"https://doi.org/10.1002/slct.202404430","url":null,"abstract":"Antimony chalcogenides (Sb₂S₃ and Sb₂Se₃) have emerged as promising materials for solar energy conversion due to their exceptional optical and physicochemical properties. These materials are widely utilized as absorber layers in thin-film solar cells, offering a cost-effective and sustainable alternative for photovoltaic applications. In recent years, the solar cell capacitance simulator (SCAPS-1D) has become an indispensable tool for predicting and optimizing solar cell performance, bridging the gap between theoretical modelling and experimental design. This article reviews the key insights from both experimental studies and SCAPS-1D-based simulations on Sb₂S₃ and Sb₂Se₃ solar cells. Despite significant progress, a notable disparity persists between theoretical predictions and experimental efficiencies, underscoring the need for further experimental advancements. This review also addresses current challenges and outlines future research directions to enhance the performance and scalability of Sb₂S₃ and Sb₂Se₃ solar cells. By offering a comprehensive overview, this work aims to benefit the researchers in advancing the development of high-efficiency antimony chalcogenide-based solar technologies.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 9","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513498","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

Single-Benzene-Based Clickable Fluorophores for In Vitro and In Vivo Bioimaging

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-02-27 DOI: 10.1002/slct.202405738

Dr. Raja Mohanrao, Dr. Clyde S. Pinto, Dr. Andrejus Suchenko, Dr. Guy J. Clarkson, Prof. Martin Wills, Dr. Stefan Roesner, Prof. Michael Shipman, Prof. Mohan K. Balasubramanian

引用次数: 0

Tuning Photophysical Properties and ESIPT Mechanism of 10-Hydroxybenzo[h]Quinoline by Ring-Annelation Modification:A Theoretical Study

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-02-27 DOI: 10.1002/slct.202405995

He Sun, Yan Leng, Dr. Hongbo Liu, Prof. Chun-Gang Min, Prof. Ai-Min Ren

引用次数: 0

Computational Insights Into the Inhibition of Novel Imidazole [1,2-α] Pyrimidine Derivatives Against Influenza A Virus

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-02-27 DOI: 10.1002/slct.202404778

Rong Liu, Hongping Wan, Liang Zou, Xingyu Liu, Weichen Yang, Yonghong Zhang, Mao Shu

{"title":"Computational Insights Into the Inhibition of Novel Imidazole [1,2-α] Pyrimidine Derivatives Against Influenza A Virus","authors":"Rong Liu, Hongping Wan, Liang Zou, Xingyu Liu, Weichen Yang, Yonghong Zhang, Mao Shu","doi":"10.1002/slct.202404778","DOIUrl":"https://doi.org/10.1002/slct.202404778","url":null,"abstract":"Hemagglutinin (HA) is an important glycoprotein on the surface of influenza virus, which is involved in virus attachment to host cells through viral membrane and fusion with host cell membrane to form host cells. H3N2 inhibitors can bind to hydrophobic cavities at the HA pre-polymer interface, preventing its conformational rearrangement and ultimately inhibiting membrane fusion. In this study, 46 imidazole [1, 2-α] pyrimidine derivatives were analyzed using two different analytical methods (CoMFA and CoMSIA) and a reliable 3D-QSAR model was established. On this basis, 10 new compounds with good predictive activity were designed. The pharmacodynamics of three new compounds A1, A5 and A9 were evaluated by molecular docking and ADME/T. Based on molecular dynamics simulations, free binding energy is calculated and other important evaluation criteria are analyzed. The results showed that the ring conformation formed by the essential amino acids VAL55, ILE56, GLU57, LYS58 and YHR59 on the F chain remained basically unchanged with the extension of simulation time, and tended to converge to the compound. Further structural optimization of the candidate active compound A1 will provide the necessary theoretical basis for developing and evaluating the efficacy of novel H3N2 inhibitors.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 9","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513492","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 PVC-Composited GO–La Ultrafiltration Membrane Based on PEG–PPG Amphiphilic Polymer Modification

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-02-27 DOI: 10.1002/slct.202404090

Xiaoyu Zhang, Xinghui Song, Yudi Chu, Chengyang Shi, Liman Zhao, Xue Luo, Qun Wang, Jinjing Li, Shujing Zhou, Jie Zhang

{"title":"Novel PVC-Composited GO–La Ultrafiltration Membrane Based on PEG–PPG Amphiphilic Polymer Modification","authors":"Xiaoyu Zhang, Xinghui Song, Yudi Chu, Chengyang Shi, Liman Zhao, Xue Luo, Qun Wang, Jinjing Li, Shujing Zhou, Jie Zhang","doi":"10.1002/slct.202404090","DOIUrl":"https://doi.org/10.1002/slct.202404090","url":null,"abstract":"The hydrophilicity, pollution resistance, and mechanical properties of a polyvinyl chloride (PVC)-composited graphene oxide–lanthanum (GO–La) ultrafiltration membrane were effectively improved using a new polyethylene glycol–polypropylene glycol (PEG–PPG) amphiphilic polymer as the pore-causing agent and GO–La as the modifier. The modified membranes were analyzed and characterized using Fourier transform infrared spectrometry, scanning electron microscopy, atomic force microscopy, X-ray photoelectron spectrometry, contact angle measurements, and solid surface zeta potentiometry. The contact angle of the PVC-composited GO–La ultrafiltration membrane (M2) reached 71°, and its water flux and rejection rate were 520.69 L/m2·h and 94.43%, respectively. The tensile strength was 2.46 MPa and the Young's modulus was 42.41 MPa. The relative water flux of M2 was maintained at ∼0.8 after immersion in a strong acid or alkali solution for 28 days, whereas that of the PVC ultrafiltration membrane was 0.7. After three filtration cycles with BSA as a simulated pollutant, the flux recovery rate of PVC-composited GO–La ultrafiltration membrane was 71%, whereas that of the PVC ultrafiltration membrane was only 42%. Using Pb2+, Zn2+, and Cu2+ aqueous solutions as the simulated pollutants, the FRRs of PVC-composited GO–La ultrafiltration membrane were 56%, 59% and 54%, respectively, with the rejection rate on Pb2+, Zn2+, and Cu2+ reaching ∼95%. After PVC-composited GO–La ultrafiltration membrane was cleaned by the heavy metal ion catcher, its FRR rose to 67%, 64%, and 65%, respectively. The PVC-composited GO–La ultrafiltration membrane shows great promise as a high-performance ultrafiltration membrane for treating wastewater containing heavy metals.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 9","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513525","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

Molecular Structures of trans-1,2-Bis(arylsulfonate)Cyclohexanes: What Determines the Conformation of Cyclohexane?

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-02-26 DOI: 10.1002/slct.202405993

Prof.Dr. Ken-ichi Sugiura, Kota Nagano, Dr. Kazunori Hirabayashi, Prof.Dr. Tohru Nishinaga, Prof.Dr. Toshio Shimizu

{"title":"Molecular Structures of trans-1,2-Bis(arylsulfonate)Cyclohexanes: What Determines the Conformation of Cyclohexane?","authors":"Prof.Dr. Ken-ichi Sugiura, Kota Nagano, Dr. Kazunori Hirabayashi, Prof.Dr. Tohru Nishinaga, Prof.Dr. Toshio Shimizu","doi":"10.1002/slct.202405993","DOIUrl":"https://doi.org/10.1002/slct.202405993","url":null,"abstract":"With the aim of establishing a basic theory for the conformation of substituted cyclohexanes, arylsulfonate-substituted cyclohexanes were synthesized and structurally characterized. In marked contrast to the reported axial–axial (AA) conformation of tosyl-substituted cyclohexane, the cyclohexanes studied here exhibited an equatorial–equatorial (EE) conformation. Theoretical studies, specifically natural bond orbitals (NBO) analysis, suggest that the AA conformation is stabilized by an intramolecular donor–acceptor interaction between the σCO orbital and the σCH orbital of the adjacent CH bond. In the EE conformation, there is an orbital interaction between the σCO orbital of the sulfonate and the σCC orbital of the cyclohexane skeleton. Because of these interactions, the energy of the AA and EE conformations are comparable. Therefore, we can conclude that whether arylsulfonate cyclohexane exhibits an equatorial or axial conformation is coincidental, depending on crystallization conditions. Furthermore, we propose that the A-value, which estimates the size of substituents based on the axial–equatorial equilibrium of substituted cyclohexanes, should be reconsidered because previous considerations only estimated the size of the molecule without accounting for orbital interactions.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 9","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/slct.202405993","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143489960","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

Cover Picture: (ChemistrySelect 09/2025) 封面图片：（ChemistrySelect 09/2025）

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-02-26 DOI: 10.1002/slct.202580901

引用次数: 0