ChemistrySelect最新文献

{"title":"Oxygen Vacancies of WO3-x Enhance the Performance of Asymmetric Supercapacitors","authors":"Yuzhuo Hu,&nbsp;Chen Wang,&nbsp;Yuying Wang,&nbsp;Dr. Huawei Zhou","doi":"10.1002/slct.202500943","DOIUrl":"https://doi.org/10.1002/slct.202500943","url":null,"abstract":"<p>The study about the relationship between micro-nano structure and performance in supercapacitors is important. Oxygen vacancies are prevalent in tungsten oxide. The effect of oxygen vacancies in WO_3-x on supercapacitors is currently unclear. In this study, we synthesized WO_3-x, an electrode material with rich oxygen vacancies, using a solvothermal-calcination method. The micro-nano structures of WO_3-x was characterized using SEM, EDS, XRD, FTIR, XPS, and UV–vis absorption spectrum, WO₃ serving as a comparative control. The above structural characterization demonstrated that there are more oxygen vacancies in WO_3-x than WO₃. The electrochemical performance of the WO_3-x electrode was assessed through both three-electrode and asymmetric supercapacitors (ASCs). The results of CV and EIS indicate that better capacitance performance comes from more electron transport (larger current in CV) and faster electron transport (smaller R_ct in EIS). The GCD tests show that WO_3-x has a greater specific capacitance (35.03 F g⁻¹) than WO₃ (19.76 F g⁻¹) at a current density of 0.1 A g⁻¹ across a potential range of 0.0 to 3.5 V. Additionally, WO_3-x ASC displays superior cycling stability, maintaining 69.07% of its initial specific capacitance over 10,000 cycles at 0.5 A g⁻¹. These results imply that oxygen vacancies in WO_3-x make it a promising candidate for supercapacitor applications.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 13","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143762279","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}

{"title":"Organic Dye-Based Powder for the Visualization of the Latent Fingerprints and Cyanide Detection","authors":"Vishakha Thakur,&nbsp;Sanjeev Kumar,&nbsp;Sheikh Showkat Ahmad,&nbsp;Rashmi Sharma,&nbsp;Satwinderjeet Kaur,&nbsp;Gaurav Bhargava,&nbsp;Prabhpreet Singh","doi":"10.1002/slct.202500753","DOIUrl":"https://doi.org/10.1002/slct.202500753","url":null,"abstract":"<p>We report the multistep synthesis of small molecule based yellow color powder (<b>VT1</b>) consisting of thiourea and ─NO₂ groups for the detection of CN⁻ in a 10% HEPES buffer–CH₃CN solution and for the visualization of the latent fingerprints (LFPs) in daylight using powder dusting method. The minimum limit of detection for CN⁻ ion is 1.47 × 10⁻⁷ M. We demonstrated the suitability of <b>VT1</b> powder for the development and visualization of the LFPs on porous, nonporous surfaces to obtain information of levels 1–3 and for airlifting of developed fingerprints using adhesive scotch-tape. <b>VT1</b> is nontoxic and biocompatible with HeLa cells (IC₅₀ = 48.77).</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 13","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143762284","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}

{"title":"Dissecting the Molecular Mechanism Concerning Conformational Changes of SARS-CoV-2 Main Protease Mediated by Binding of Natural Phytochemicals via Molecular Dynamics Simulations","authors":"Chaoyue Jia,&nbsp;Yanqi Sun,&nbsp;Jianzhong Chen,&nbsp;Xinguo Liu","doi":"10.1002/slct.202405868","DOIUrl":"https://doi.org/10.1002/slct.202405868","url":null,"abstract":"<p>The novel SARS-CoV-2 outbreak has swept the world since 2019. Because of the lack of direct-acting antivirals (DAAs) targeting SARS-CoV-2 as well as the side effects of synthetic drugs, naturally sourced DAAs targeting SARS-CoV-2 should be urgently developed. The SARS-CoV-2 main protease (M^pro) can be reasonably used as a drug target because it is crucially involved in viral replication and transcription. To design potent DAAs targeting M^pro, the M^pro-inhibitor binding mechanism, and the conformational changes of M^pro induced by inhibitor binding must be essentially clarified. Here, conventional molecular dynamics (cMD) simulation, principal component analysis (PCA), and free energy landscape (FEL) analysis were combined to probe 5 known phytochemical inhibitors-mediated conformational changes of M^pro. The results revealed that inhibitor binding significantly affected the kinetic behavior of M^pro, and induced conformational rearrangement. The calculations of binding free energies using molecular mechanics generalized Born surface area (MM-GBSA) and solvation interaction energy (SIE) methods and residue-based free energy decomposition values showed that there are 23 key residues involved in the M^pro-inhibitor binding. We found that one of the tested phytochemicals (PubChem CID 637112) could be used as a potent SARS-CoV-2 M^pro inhibitor, which can block viral replication and translation.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 13","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143770086","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}

{"title":"Catalytic Engineering of Waste Biomass-Derived Nano-Carbon for Ultra-Low Detection of Lead and Mercury Ions","authors":"Ritika Sharma,&nbsp;Dilbag Singh","doi":"10.1002/slct.202405850","DOIUrl":"https://doi.org/10.1002/slct.202405850","url":null,"abstract":"<p>Sensor-based technologies are driving a revolution in environmental monitoring, enabling precise measurement and effective pollutant management. Accurate quantification of environmental pollutants is the foundation upon which remediation, protection, and policy enforcement solutions are built. These technologies ensure that environmental management strategies are data-driven, precise, and responsive to real-time conditions. This study has explored the sustainable yet effective development of sensor from <i>parthenium hysterophorus</i> waste biomass for detecting lead and mercury ions. The catalytic graphitization process has effectively converted plant biomass into graphitized carbon. A metal catalyst and specific functional groups are introduced to enhance the conductivity and sensitivity of the nanocomposite. The porous network of graphene-like nanostructure, along with high crystallinity, is successfully developed, where the presence of silver, nitrogen, sulfur, and oxygen is confirmed through EDS and XPS. FE-SEM images represent the layered structure of nanocomposite, while TEM has indicated the network of carbon structure with the distribution of silver nanoparticles on it. XRD spectra have shown a clear peak at 26°, which indicates the layered architecture with high crystallinity. CV study was also conducted to study the redox behavior of lead and mercury ions. DPASV study was conducted to study the sensitivity of lead and mercury ions. Nanocomposite also shows high selectivity in the mixed metal solution. It also shows high sensitivity with detection limits of 600 and 300 nM for lead and mercury ions. At the same time, a real sample study also showed a good response, where a detection limit of 400 nM was obtained for lead in tap water. The RSD calculated after studying the response with three different electrodes is 3.2%. The nanocomposite also represent high stability even after 60 days of storage. This study paves the way for developing sustainable nanomaterials from waste biomass for sensing heavy metal ions.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 13","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143762283","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}

{"title":"Applications of Nano-ZrO2 in Synthesis of Heterocycles","authors":"Madhuri Gaikwad,&nbsp;Dr. Jyoti Shet,&nbsp;Dr. Rupesh Patre,&nbsp;Prof. Santosh Tilve","doi":"10.1002/slct.202405825","DOIUrl":"https://doi.org/10.1002/slct.202405825","url":null,"abstract":"<p>Over the past decade, metal-oxide nanoparticles have attracted the scientific community due to their extensive use in medicinal and pharmaceutical industries. In addition, metal-based nanoparticles have made extraordinary development as a catalyst in the construction of diversely functionalized heterocycles. There is a surge of applications of nano metal oxides as a mild, inexpensive, efficient, green, reusable, heterogeneous catalyst for various organic transformations. Among numerous metal oxide nanoparticles, zirconia-based catalysts find wide applications to construct a diverse range of heterocycles using multicomponent reactions. The current article selectively reviews the applications of nano-ZrO₂ as a useful heterogeneous catalyst for the one-pot green synthesis of a variety of heterocyclic scaffolds reported from 2011 onward. This review is divided into five sections: synthesis of i) five-membered heterocycles with one heteroatom, ii) five-membered heterocycles with two heteroatoms, iii) five-membered heterocycles with three/four heteroatoms, iv) six-membered heterocycles, and v) tandem construction of two heterocycles.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 13","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143770087","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}

{"title":"Design and Synthesis of Bioactive Thiazole-1H-imidazole Based Novel Framework: PEG-400 Mediated Synthesis and Cytotoxicity in NSCLC and Breast Cancers","authors":"Harshit Vaidya,&nbsp;Dr. Khushal Kapadiya,&nbsp;Dr. Jignesh H. Kamdar,&nbsp;Dr. Gaurang Jani","doi":"10.1002/slct.202406112","DOIUrl":"https://doi.org/10.1002/slct.202406112","url":null,"abstract":"<p>A successful, environmentally acceptable, and simple process has been demonstrated for one-pot synthesis under mild by employing polyethylene glycol 400 (PEG-400) as a green, biodegradable solvent and methylene spacer. The present study explores the synthesis of novel hybrid derivatives as 2-(2-(3-(1H-imidazol-1-yl)benzylidene)hydrazineyl)-4-(substituted phenyl)thiazole (4a-4j) in single-step process using novel aldehydic fragment, i.e., 3-(1<i>H</i>-imidazol-1-yl)benzaldehyde (1). A library of 10, thiazole-1<i>H</i>-imidazole hybrids was synthesized in PEG-400 and the structure was affirmed by IR, MS, ¹H NMR, and ¹³C NMR spectral techniques. This reaction can be used for gram-scale synthesis and does not require any transition metal, base, or ligand, and it is carried out under conditions that do not involve additives. The activity of synthesized compounds was screened against the proliferation of sixty cancer cell lines in nine cancer panels. Almost all compounds exhibited a considerable cytotoxicity activity toward most cancer cells. Among the synthesized compounds, two compounds 4c and 4 h exhibited the most potent antiproliferative activity, with a mean value of 16.67% and 20.22%, respectively. Compound 4c exhibited the highest efficacy in Leukaemia, NSCLC, Melanoma, Renal, and Breast cancer (lethality ranging from 3%–26%), while compound 4 h showed promising lethality in Leukaemia, NSCLC, and Breast cancer. These compounds (4c and 4 h) were further evaluated using molecular docking with tubulin protein (PDB code: 1SA0) and found the strongest binding affinity, as evidenced by the highest docking score and hydrogen bond energy.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 13","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143762280","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}

{"title":"Direct Oxidation of H2S by Air at Low Temperatures Using Catalysts Derived from Industrial Solid Waste","authors":"Thanh Son Cam,&nbsp;Bui Quang Huy,&nbsp;Nguyen Thi Thuy,&nbsp;Lam Pham Thanh Hien,&nbsp;Juying Lei,&nbsp;Nguyen Nhat Huy","doi":"10.1002/slct.202401695","DOIUrl":"https://doi.org/10.1002/slct.202401695","url":null,"abstract":"<p>When modifying solid waste materials (raw sludges) that were collected from the water supply plant with zinc nitrate by the impregnation method, followed by calcining at 400 °C, the obtained sample (denoted as ZnO/VT-400 catalyst) performed high activity toward H₂S oxidation, with the H₂S conversion (<span></span><math></math>) of ∼91% after a reaction time of 270 min. For such a process, the following catalytic conditions were found to be optimal for the installed lab-scale model of H₂S treatment: reaction temperature of 150 °C; inlet H₂S concentration of 2000 ppm; total gas-air flowrate of 0.75 L/min; and catalyst mass of 1.0 g. Moreover, the catalyst showed its cycling stability, with <span></span><math></math> ≈ 89% after the 4^th cycle (after 32 h of use). The ZnO/VT-400 sample mainly consisted of Fe₂O₃, small amounts of SiO₂, and ZnO. These components existed in amorphous forms and were evenly distributed on the catalyst's surface. Two steps of the reaction process were proposed for the chemical mechanism of catalysis, including the chemisorption of H₂S on the active sites, followed by oxidation with the formation of sulfur elements. The work has demonstrated the positive use of industrial solid waste to develop low-cost and high-performance catalysts for H₂S removal from the air.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 13","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143762281","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}

{"title":"Sustainable Approaches for Pharmaceutical Pollutant Removal: Advances in Chitosan-Based Nanocomposite Adsorbents","authors":"Hossein Dinarvand,&nbsp;Omid Moradi","doi":"10.1002/slct.202405962","DOIUrl":"https://doi.org/10.1002/slct.202405962","url":null,"abstract":"<p>The growing presence of pharmaceutical pollutants in aquatic environments poses significant threats to both human health and ecosystems. Despite their crucial role in healthcare, pharmaceuticals enter water systems through various sources, making them some of the most critical environmental contaminants. Traditional wastewater treatments, which are classified into physical, chemical, and biological techniques, often struggle to effectively remove pharmaceuticals. Among these methods, adsorption stands out as a reliable and versatile approach for removing organic pollutants and enhancing the efficiency of wastewater treatment processes. Biopolymers, particularly chitosan, are gaining attention due to their numerous advantages, including biocompatibility, biodegradability, affordability, high adsorption capability, non-toxicity, and availability from diverse natural sources. Chitosan, a hydrophilic biopolymer, can be chemically modified by incorporating various nanoparticles (e.g., metal oxides, carbon-based materials, and magnetic particles) to boost its adsorption efficiency. These advancements enable chitosan-based nanocomposites to effectively remove a range of pharmaceuticals, including antibiotics, analgesics, and hormones, from water. This review examines the latest developments in chitosan-based nanocomposite adsorbents, emphasizing their fundamental adsorption mechanisms, optimization conditions, kinetic behaviors, and isotherm models. These factors collectively determine the efficiency of nanocomposites in capturing pharmaceutical pollutants. Moreover, the review underscores the potential of these materials for environmental remediation, offering valuable insights into their application and future research directions. Ultimately, the aim of this review is to provide insight into chitosan-based nanocomposite adsorbents, which offer an innovative and effective solution to the challenge of pharmaceutical contamination in water. By addressing key challenges and utilizing advanced material designs, these adsorbents hold great promise for the sustainable and efficient removal of pollutants in environmental systems.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 13","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143749551","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}

{"title":"Bovine Serum Albumin Nanoparticles as Versatile Carriers for Enhancing the Multifunctional Efficacy of Protocatechuic Acid","authors":"Alaa I. Ibrahim,&nbsp;Adel M. Attia,&nbsp;Heba A. Sahyon,&nbsp;Ashraf A. El-Shehawy","doi":"10.1002/slct.202405320","DOIUrl":"https://doi.org/10.1002/slct.202405320","url":null,"abstract":"<p>Protocatechuic acid (PCA) has antioxidant, anticancer, and antidiabetic properties. However, its poor water solubility affects its absorption and bioavailability. Bovine serum albumin nanoparticles (BSA-NPs) can encapsulate significant amounts of hydrophobic substances by attracting charged molecules through electrostatic adsorption. This study aimed to prepare PCA-loaded BSA nanoparticles, producing PCA-BSA-NPs, and subsequently characterize the resulting nanocomposite using zeta potential, dynamic light scattering, X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). In vitro, PCA-BSA-NPs were evaluated for their anticancer, antioxidant, and free radical scavenging properties. Our data indicated that the average particle size of PCA-BSA-NPs was 202 nm. The in vitro study demonstrated that PCA-BSA-NPs exhibited potent anticancer activity comparable to doxorubicin. Additionally, PCA-BSA-NPs displayed highly antioxidant activity (2,2-diphenyl-1-picrylhydrazyl (DPPH), superoxide dismutase (SOD) like activity, and catalytic activity) and a strong antidiabetic effect (<i>α</i>-amylase inhibition). The drug release study indicated the effective release of PCA from PCA-BSA-NPs at pH = 6.5, which is suitable for targeting cancer cells. In conclusion, PCA-BSA-NPs could provide a more effective and safer alternative to traditional chemotherapeutic agents like doxorubicin. Moreover, their higher antioxidant and antidiabetic activities could expand their therapeutic applications, making them valuable in treating oxidative stress-related diseases and diabetes.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 13","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143749766","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}

{"title":"Green Plasma Technology for Converting Agricultural Residues Into High-Performance Activated Carbon for Energy Devices","authors":"N. Karthikeyan,&nbsp;K. A. Vijayalakshmi,&nbsp;K. T. Maheswari","doi":"10.1002/slct.202405834","DOIUrl":"https://doi.org/10.1002/slct.202405834","url":null,"abstract":"<p>In order to increase the performance of rice husk-derived activated carbon (RHAC) in energy storage devices such as supercapacitors and aluminum-air (Al-air) batteries, this study explores the improvement of RHAC using atmospheric air plasma treatment. The surface features and electrochemical properties of RHAC were altered through plasma treatment. Several characterization methods, including electrochemical analysis, FE-SEM, XRD, FTIR, and Raman spectroscopy, revealed significant increases in surface area, porosity, and functional group formation, confirming the advantages of plasma treatment. Following plasma treatment, the RHAC exhibited considerable enhancement in specific capacitance, reaching 1298 F g⁻¹, and surface hydrophilicity, with the contact angle decreasing from 113° to 67°. By combining sustainable materials with innovative modification techniques, this research contributes to the development of eco-friendly and efficient energy storage solutions.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 13","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143749844","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}