ChemistrySelect最新文献_第6页

A Comprehensive Review on Functionalized Graphene Oxide Nanoparticles for Fluorescence Properties and Potential in Biosensing and Water Remediation 功能化氧化石墨烯纳米粒子荧光特性及其在生物传感和水修复中的潜力综述

IF 2 4区化学

ChemistrySelect Pub Date : 2025-07-29 DOI: 10.1002/slct.202500220

Saba Tahir, Assistant Professor, Ph.D Fawad Ahmad, Humaira Razzaq, Bushra Shakoor, Sumayya Kanwal, Iqra Rani, Wajiha Mehr Imran, Ayesha Saddiqua, Tahreem Bibi, Arooba Noor, Sumayya Khatoon, Muhammad Imran Khan, Abdallah Shanableh

{"title":"A Comprehensive Review on Functionalized Graphene Oxide Nanoparticles for Fluorescence Properties and Potential in Biosensing and Water Remediation","authors":"Saba Tahir, Assistant Professor, Ph.D Fawad Ahmad, Humaira Razzaq, Bushra Shakoor, Sumayya Kanwal, Iqra Rani, Wajiha Mehr Imran, Ayesha Saddiqua, Tahreem Bibi, Arooba Noor, Sumayya Khatoon, Muhammad Imran Khan, Abdallah Shanableh","doi":"10.1002/slct.202500220","DOIUrl":"https://doi.org/10.1002/slct.202500220","url":null,"abstract":"The most anticipated functionalized graphene oxide (fGO) agitates the scientific community due to its manifold applications. The fGO offers untapped potential for cross-disciplinary research areas. This review systematically examines graphene oxide (GO) ’s targeted functionalization that tailors its fluorescence and adsorption properties. It explores two applications: ultrasensitive biosensing and high-efficiency water purification of pollutants. This analysis highlights fGO's dual functionality of quenching-based detection and contaminant removal. For this, the mechanical, chemical, and electrochemical properties of fGO are improved by functionalization and conjugation with other molecules, such as dyes, fluorophores, antibodies, biopolymers, peptides, and aptamers. Complex interactions with specific biological receptors and cellular components are made possible by integrating target ligands on the GO surface. This increases the specificity and selectivity of diagnostic interventions. However, the key challenges remain, such as multisensory design, real-world sample interference, and scalable fabrication, that must be addressed while engineering fGO designs. This contemporary review lays the foundation for a new aptamer-based fGO system to guide future research in material design and suggests machine learning incorporation in sensing chemistry.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 29","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144725565","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

Evaluation of Antioxidant, Antidiabetic, and Antilipase Activities of Jamun and Amla-Incorporated Ice Cream Jamun和amla冰淇淋抗氧化、抗糖尿病和抗脂肪酶活性的评价

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-29 DOI: 10.1002/slct.202501043

Dr. Sudha Kandhan, Dr. Baskaran Dharmar, Dr. Kumaravelu Natarajan

{"title":"Evaluation of Antioxidant, Antidiabetic, and Antilipase Activities of Jamun and Amla-Incorporated Ice Cream","authors":"Dr. Sudha Kandhan, Dr. Baskaran Dharmar, Dr. Kumaravelu Natarajan","doi":"10.1002/slct.202501043","DOIUrl":"https://doi.org/10.1002/slct.202501043","url":null,"abstract":"This study aimed to evaluate the functional and sensory characteristics of ice cream enriched with two nutritionally potent fruits amla (Emblica officinalis) and jamun (Syzygium cumini). The research focused on assessing antioxidant, antilipase and antidiabetic activities, along with optimizing fruit incorporation levels and analzing product stability during storage. Functional activities of the enriched ice creams were analyzed through estabilished biochemical assays. The ice creams were subjected to storage at-23°C for different time intervals to assess the impact of freezing on quality and stability. All experimental data were sttistically analyzed using SPSS software. Results indicated that fruit incorporation significantly enhanced the functional properties of the ice cream. Both amla and jamun contributed to strong antioxidant activity, effective inhibition of α- amylase and notable suppression of lipase activity, which may aid in managing fat digestion. The sensory evaluation confirmed good consumer acceptability at optimized levels of fruit content. In conclusion, jamun and amla-enriched ice creams demonstrate potential as functional frozen desserts with added health benefits. These findings suggest their possible role in supporting dietary interventions for metabolic health. Further research is recommended to isolate and identify the active bio-compounds and evaluate long-term product efficacy and acceptability.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 29","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144716609","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

Uncovering Hidden Antibacterial Potential: A Computational Discovery of FDA-Approved Drugs against ThiL Enzyme 揭示隐藏的抗菌潜力：fda批准的抗ThiL酶药物的计算发现

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-29 DOI: 10.1002/slct.202501135

Shrestha Palit, Bharat Kumar Reddy Sanapalli, Sharon Blessy Manda, Ashwini Deshpande, Dr. Vidyasrilekha Sanapalli

{"title":"Uncovering Hidden Antibacterial Potential: A Computational Discovery of FDA-Approved Drugs against ThiL Enzyme","authors":"Shrestha Palit, Bharat Kumar Reddy Sanapalli, Sharon Blessy Manda, Ashwini Deshpande, Dr. Vidyasrilekha Sanapalli","doi":"10.1002/slct.202501135","DOIUrl":"https://doi.org/10.1002/slct.202501135","url":null,"abstract":"Antimicrobial resistance (AMR) is a global health concern, necessitating the development of novel strategies that are effective against drug-resistant organisms. One promising strategy to counteract AMR is to target untapped molecular targets with existing drugs. Thiamine monophosphate kinase (ThiL) is an unexplored target for antibacterial therapy, as it is an essential enzyme for thiamine biosynthesis in pathogens but is absent in humans, making it a promising, selective antibacterial target. Here, we repurposed 2000 FDA-approved drugs against the ThiL enzyme via computational approaches to evaluate the binding affinity and stability of the compounds within the binding pocket. Among the tested compounds, naldemidine and vidarabine displayed favorable glide scores, suggesting strong interactions with the key residues present in the binding pocket. Furthermore, a 100 ns molecular dynamics simulation was performed to determine the stability of the complex. The findings depicted the sustained binding interactions of the compounds with the ThiL active residues, indicative of a potential inhibitory effect on enzyme activity. This study emphasized the viability of ThiL as a novel unexplored target and demonstrated the advantages of a drug repurposing strategy in facilitating the identification of promising antibacterial agents. This dual approach pioneer new therapeutic avenues while addressing the AMR.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 29","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144716635","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

Eco-Friendly Carbon Dots from Chamomile Leaves for Sensitive Tetracycline Detection in Milk and Water: A Green Analytical Assessment 用洋甘菊叶碳点检测牛奶和水中的四环素：绿色分析评价

IF 2 4区化学

ChemistrySelect Pub Date : 2025-07-29 DOI: 10.1002/slct.202501823

Mohammed S. Jalal, Naktal Al-Dulaimi, Wrya O. Karim

引用次数: 0

Simulation Predictions of Surface Modified AlNp/CE Composites’ TC and Research on the Thermal Conduction Mechanism 表面改性AlNp/CE复合材料热传导机理的模拟预测与研究

IF 2 4区化学

ChemistrySelect Pub Date : 2025-07-29 DOI: 10.1002/slct.202500792

Haoyan Yan, Moyun Kang, Zhiqiang Yu

{"title":"Simulation Predictions of Surface Modified AlNp/CE Composites’ TC and Research on the Thermal Conduction Mechanism","authors":"Haoyan Yan, Moyun Kang, Zhiqiang Yu","doi":"10.1002/slct.202500792","DOIUrl":"https://doi.org/10.1002/slct.202500792","url":null,"abstract":"In this research, a series of composite materials featuring a three-dimensional thermal conductivity network of fillers was prepared through hot press molding. Scanning electron microscopy (SEM) results demonstrate that the modified aluminum nitride (AlN) particles are uniformly dispersed throughout the cyanate ester resin (CE) and form an interconnected network structure, creating an effective thermal conductivity pathway. The thermal conductivity (TC) of the modified composites was significantly enhanced. At a volume fraction of 58% of modified AlN, the thermal conductivity of the APTES@AlN/CE composites reached 1.81 W/m·K, representing a 47% improvement compared to the unmodified AlN/CE composites. The TC of the filled composites was calculated using the Agari Model, Bruggeman Model, and Cheng–Vachon Model. The results indicate that the calculated values are generally in agreement with the experimental results, with a minimum error rate of 2%. In this paper, a method is proposed to explore the thermal conductivity mechanism by reasonably modifying the thermal conductivity model, so as to make the simulation results consistent with the actual situation and provide guidance for the preparation of composites with high TC.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 29","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144725566","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

In-Situ Formation of Layered La3Mn2O7 Induced by Use of a Chloride-Containing Intercalation Agent and Its Catalytic Performance for Toluene Oxidation 含氯插层剂原位诱导层状La3Mn2O7的形成及其对甲苯氧化的催化性能

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-29 DOI: 10.1002/slct.202501176

Jingyu Yue, Xiubiao Ma, Yunxia Li, Qingqing Liu, Jiawei Cao, Yongqiang Wang, Zhenyu Ouyang

{"title":"In-Situ Formation of Layered La3Mn2O7 Induced by Use of a Chloride-Containing Intercalation Agent and Its Catalytic Performance for Toluene Oxidation","authors":"Jingyu Yue, Xiubiao Ma, Yunxia Li, Qingqing Liu, Jiawei Cao, Yongqiang Wang, Zhenyu Ouyang","doi":"10.1002/slct.202501176","DOIUrl":"https://doi.org/10.1002/slct.202501176","url":null,"abstract":"Compared with perovskite LaMnO3, the R–P-type layered perovskite La3Mn2O7 with a unique layered structure with large interlayer gap and weak Mn─O bond strength near the layered structure is beneficial to the dispersion of ions in the solvent and the intercalation of Cl−, which makes the material exhibit more development potential and research value in the catalytic oxidation of toluene. The effect of Cl−-type intercalation agent on the formation of layered structure and the catalytic oxidation of toluene was investigated. In the experiment, three kinds of Cl−-type intercalation agents, LaCl3·7H2O, NH4Cl, and MnCl2·4H2O were selected to obtain three samples, which were labeled as LML, LMN, and LMM, respectively. The three samples are layered La3Mn2O7, and the LMM material exhibits the best catalytic performance (T90 = 269 °C) under the conditions of 18,000 mL/(g h) WHSV and 2000 mg/m3 toluene. LMM exhibits the largest specific surface area (26.88 m2/g), the best toluene adsorption performance and low temperature reduction performance (T = 344.2 °C), more acidic sites and oxygen species, which improves the activation ability of lattice oxygen and the fluidity of oxygen species. These characteristics make it an ideal structure for catalytic oxidation of toluene.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 29","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144716599","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

A Molecular Dynamics-Based Extended DFTB Analysis of Tm─Te Bonding Interactions Role on Crystallinity and Diffusion Process in Bismuth Boro-tellurite Glass Modified with Tm2O3 基于分子动力学的扩展DFTB分析Tm2O3修饰铋硼碲玻璃中Tm─Te键作用对结晶度和扩散过程的影响

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-29 DOI: 10.1002/slct.202501963

Fatih Ahmet Celik, Ezman Karabulut, Murat Aygün

{"title":"A Molecular Dynamics-Based Extended DFTB Analysis of Tm─Te Bonding Interactions Role on Crystallinity and Diffusion Process in Bismuth Boro-tellurite Glass Modified with Tm2O3","authors":"Fatih Ahmet Celik, Ezman Karabulut, Murat Aygün","doi":"10.1002/slct.202501963","DOIUrl":"https://doi.org/10.1002/slct.202501963","url":null,"abstract":"This study presents a comprehensive theoretical investigation into a newly fabricated bismuth boro-tellurite glass activated by thulium (Tm), with compositions of (50-x)B2O3 + 30TeO2 + 10Bi2O3 + 10CdO + xTm2O3 (x = 0 and 5 mol%), labeled as BiBT-Tm0 and BiBT-Tm5, respectively. The calculations were conducted using molecular dynamics simulations via the extended density functional tight-binding (GFN1-xTB) method based on density functional theory (DFT). X-ray diffraction patterns (XRD), densities, partial radial distribution functions (PRDF), time-dependent mean-square displacement (MSD), self-diffusion coefficients, and glass transition temperatures (Tg) at 30 and 350°C were evaluated for each glass sample during the annealing process. According to PRDF results, the first peak for the B–Te pair, which observed at 2.23 Å decreased significantly with the increasing Tm content with the formation of strong Tm─Te interactions. The diffusion coefficient of Te increased by 570% with Tm addition. The diffusion coefficient of Tm increased from 0.0212 to 0.15 (10−9 m/s) when temperature increases from 30°C to 350°C. In addition, Tg increased with Tm2O3 content, ranging from 75 to 150°C. Also, crystallite size from XRD data by using Debye–Scherrer analysis was calculated as 9.92 and 20.6 nm for BiBT-Tm0 and BiBT-Tm5, respectively.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 29","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144716601","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

Double C─H Phosphorylation of Quinoxalines Under Catalyst-Free Conditions 无催化剂条件下喹诺啉类化合物的双C─H磷酸化

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-29 DOI: 10.1002/slct.202503353

Qiaoyu Gan, Junmei Xia, Prof. Yingli Liu, Prof. Lixin Ma, Xi Chen, Prof. Zeqi Jiang

引用次数: 0

Optimization and Validation of Chitosan-Reduced Graphene Oxide-Pluronic F-127 Hydrogel Synthesis for Potential Wound Dressing 壳聚糖-还原氧化石墨烯- pluronic F-127水凝胶合成潜在伤口敷料的优化与验证

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-28 DOI: 10.1002/slct.202502598

Isleidy Ruíz, Luisbel González, Aracelly Quiroz, Claudio Aguayo, Jorge Toledo, Katherina Fernández

{"title":"Optimization and Validation of Chitosan-Reduced Graphene Oxide-Pluronic F-127 Hydrogel Synthesis for Potential Wound Dressing","authors":"Isleidy Ruíz, Luisbel González, Aracelly Quiroz, Claudio Aguayo, Jorge Toledo, Katherina Fernández","doi":"10.1002/slct.202502598","DOIUrl":"https://doi.org/10.1002/slct.202502598","url":null,"abstract":"This study developed a novel conductive wound dressing composed of chitosan (CS), reduced graphene oxide (rGO), and Pluronic F-127 (PF). A 22 + star factorial design was used to evaluate the effects of rGO and PF concentrations on conductivity, swelling capacity, mechanical properties, and cell migration. Analysis of variance identified the factors that significantly influenced these properties. The results showed that higher rGO concentrations improved conductivity, while PF had a significant impact on swelling capacity. Additionally, rGO influenced tensile strength, elastomeric modulus, and cell migration. The dressings were characterized using SEM, FTIR, XRD, TGA, wettability tests, antibacterial assessments, and cell viability analysis. Statistical optimization determined that the optimal formulation (CS-rGO-PF10) exhibited excellent conductivity (2.30 mS/cm), high fluid absorption (577%), strong mechanical properties (tensile strength of 22.14 MPa and elastic modulus of 170 MPa), and enhanced cell migration (100% closure rate after 48 h). Furthermore, it demonstrated strong antibacterial activity against Escherichia coli and Staphylococcus aureus. In vivo tests on a porcine model confirmed that the dressing accelerated wound healing and improved tissue regeneration, as evidenced by enhanced re-epithelialization and vascularization. In conclusion, the CS-rGO-PF10 conductive hydrogel represents a promising solution for wound treatment.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 29","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144717022","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

Integration Computational Methods Discover Novel Antihyperuricemia Xanthine Oxidase Inhibitor Indole Derivatives and Multitarget Synergistic Effect Mechanism 整合计算方法发现新型抗高尿酸黄嘌呤氧化酶抑制剂吲哚衍生物及多靶点协同作用机制

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-07-28 DOI: 10.1002/slct.202501621

Jiamin Hu, Yidi Wu, Xiaoning Nie, Qian Lang, Rongling Lv, Prof. Jiaying Sun

{"title":"Integration Computational Methods Discover Novel Antihyperuricemia Xanthine Oxidase Inhibitor Indole Derivatives and Multitarget Synergistic Effect Mechanism","authors":"Jiamin Hu, Yidi Wu, Xiaoning Nie, Qian Lang, Rongling Lv, Prof. Jiaying Sun","doi":"10.1002/slct.202501621","DOIUrl":"https://doi.org/10.1002/slct.202501621","url":null,"abstract":"Hyperuricemia, as a metabolic disease, is associated with a variety of diseases, such as gout, hypertension, diabetes, hyperlipidemia, cardiovascular disease, kidney disease, and metabolic syndrome. However, xanthine oxidase inhibitor (XOI) can radically resolve the problem of excessive uric acid. Moreover, network pharmacology breaks through the limitation of single target local antagonism mode. Hence, in this study, a combination of QSAR, molecular docking, molecular dynamics simulation, ADMET, and network pharmacology methods are used. Finally, 30 novel indole derivatives, as antihyperuricemia lead compounds, are found and valuable to further developed into a multitarget XOI drug. Furthermore, these compounds treat hyperuricemia through targets XDH, NOS3, PPARA, MMP9, NOS2, and REN. Additionally, these targets mainly regulate purine metabolism, the AGE-RAGE signaling pathway in diabetic complications, insulin resistance, the NF-kappa B signaling pathway, the IL-17 signaling pathway, and Parkinson's disease. Meanwhile, this investigation offers clear insights into the production of efficient XOI drugs.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 29","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144717021","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