ChemistrySelect最新文献_第9页

Cover Picture: (ChemistrySelect 12/2025)

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-19 DOI: 10.1002/slct.202581201

引用次数: 0

Role of Reducible and Mobile Oxygens in Methane Partial Oxidation Within a Post-Plasma Catalytic System

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-19 DOI: 10.1002/slct.202405886

Yu-Chuan Lin, You-Cheng Lin, Kun-Jie Huang, Rui-Ping Yeh, Franklin Chau-Nan Hong, Yih-Ming Shyu

引用次数: 0

In Silico Rho Kinase Inhibition and FP-Agonist Potential Study of Rotenoids Present in Boerhavia diffusa Root for Curing Uveitic Glaucoma

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-19 DOI: 10.1002/slct.202404950

Ajay Kumar Meena, Rudramani Tiwari, Gnanabhaskar Danaboina, Kundan Kumar Ojha, Arundhati Mehta, Jagriti Kamra, Ashwini Kumar Dixit, Arjun Singh

{"title":"In Silico Rho Kinase Inhibition and FP-Agonist Potential Study of Rotenoids Present in Boerhavia diffusa Root for Curing Uveitic Glaucoma","authors":"Ajay Kumar Meena, Rudramani Tiwari, Gnanabhaskar Danaboina, Kundan Kumar Ojha, Arundhati Mehta, Jagriti Kamra, Ashwini Kumar Dixit, Arjun Singh","doi":"10.1002/slct.202404950","DOIUrl":"https://doi.org/10.1002/slct.202404950","url":null,"abstract":"The acute pathogenesis with rapid inflammation enhances the intertrabecular spaces which refers to an increase in intraocular pressure (IOP) in uveitic glaucoma. Boerhaavia diffusa (B. diffusa) plant root contains boeravinone A–J, a class of rotenoids exhibiting hepatoprotective, immunomodulatory, and anti-inflammatory actions. This article reports a comparative in silico Rho-kinase inhibition and FP-agonists study of these rotenoids. ADMET study reflects the suitability of rotenoids in terms of drug-likeness, human intestinal absorption, mitochondrial subcellular localization, and class-III toxicological compounds for real application as drug molecules. Docking study for Rho-kinase inhibition potential with 3tku-protein shows binding energies between −6.101 and −4.129 kcal/mol with an inhibition constant of 0.05–2.54 mM for boeravinone A–J against standard fasudil (−4.285 kcal/mol) molecule which has inhibition constant of 0.015 mM. Docking study for FP-agonist potential with 2f38-protein shows binding energies between −9.647 and −5.602 kcal/mol for boeravinone A–J with inhibition constants of 0.01–0.09 mM, against standard bimatoprost (−9.603 kcal/mol) and latanoprost (−10.096 kcal/mol) molecule. This MD simulation results an equilibrized dynamic behavior and stability of 3tku-boeravinone-E and 2f38-boeravinone-E complexes, under reference standards conditions. This study suggests that these rotenoids can be useful as a curative agent in uveitic glaucoma as an anti-inflammatory agent and IOP reducer.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 12","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143688994","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

Investigating the Efficacy of Silver Anethum graveolens Nano-Extract in Colon Cancer Radiotherapy

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-19 DOI: 10.1002/slct.202405345

Farshad Seyed Nejad, Mostafa Alizade-Harakiyan, Mehdi Haghi, Rokhsareh Ebrahimi, Mohammad Mahdi Zangeneh, Alireza Farajollahi, Roghayeh Fathi, Reza Mohammadi, Samira Samadi Miandoab, Mohammad Heydarnezhad Asl, Baharak Divband, Amin Ahmadi

{"title":"Investigating the Efficacy of Silver Anethum graveolens Nano-Extract in Colon Cancer Radiotherapy","authors":"Farshad Seyed Nejad, Mostafa Alizade-Harakiyan, Mehdi Haghi, Rokhsareh Ebrahimi, Mohammad Mahdi Zangeneh, Alireza Farajollahi, Roghayeh Fathi, Reza Mohammadi, Samira Samadi Miandoab, Mohammad Heydarnezhad Asl, Baharak Divband, Amin Ahmadi","doi":"10.1002/slct.202405345","DOIUrl":"https://doi.org/10.1002/slct.202405345","url":null,"abstract":"Magnetic silver nanoparticles are intelligent magnetic particles that have high intelligence and a large absorption surface area. Their small size and wide absorption surface make them effective drug carriers to the cancer site. In this research, the properties of the green formulation of silver nanoparticles by Anethum graveolens on colon carcinoma cells were checked. The Ag-bionanoparticles synthesized using green formulation underwent characterization through FT-IR, XRD, EDS-mapping, and SEM techniques. The aim of this work is to study the decrease in cell viability and BCL2 expression and the increase in BAX expression with silver nanoparticles (AgNPs) synthesized using Anethum graveolens extract, especially when combined with radiation therapy. By performing MTT assay, cell survival and by qPCR assay, expression of pro-apoptotic BAX and anti-apoptotic BCL2 were evaluated. With more clinical trials, these green synthesized nanoparticles can be used to treat colon cancer.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 12","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143688980","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

Batch-Scale Study to Assess the Adsorption Potential of Locally Available Clay for Cationic Azo Dye from Water 评估当地粘土对水中阳离子偶氮染料吸附潜力的批量研究

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-19 DOI: 10.1002/slct.202406102

Ferhat Djawad, Nibou Djamel, Hammoudi Hadda Aya, Sebati Farouk, Moonis Ali Khan, Marta Otero

{"title":"Batch-Scale Study to Assess the Adsorption Potential of Locally Available Clay for Cationic Azo Dye from Water","authors":"Ferhat Djawad, Nibou Djamel, Hammoudi Hadda Aya, Sebati Farouk, Moonis Ali Khan, Marta Otero","doi":"10.1002/slct.202406102","DOIUrl":"https://doi.org/10.1002/slct.202406102","url":null,"abstract":"Basic blue 41 (BB41) dye discharge to water bodies is a potential concern to public health. In this study, an eco-friendly and cost-effective approach for removing BB41 dye from water using locally available raw clay (RC) was proposed. RC was characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), Fourier-transform infrared (FTIR) spectroscopy, laser granulometry, and X-ray fluorescence (XRF). The average particle size was 26.42 µm, with a high silica (SiO₂: 32.08%) and alumina (Al₂O₃: 10.82%) contents. The effect of various experimental parameters such as pH, solid/liquid ratio, initial dye concentration, and temperature on adsorption performance were investigated. Isotherm studies followed the Langmuir isotherm model, with a maximum monolayer adsorption capacity (qm) of 85.54 mg/g. Kinetic modelling confirmed the applicability of pseudo-second-order model, with intraparticle diffusion as the rate-limiting step. Thermodynamic modelling parameters such as standard free energy (ΔG°), standard enthalpy change (ΔH°), and standard entropy change (ΔS°) indicated a spontaneous and exothermic adsorption process, with an activation energy (Ea) of 26.24 kJ/mol, confirming BB41 was through physical adsorption. These findings demonstrate the potential of RC as an efficient and sustainable adsorbent for BB41 removal, providing a cost-effective alternative for wastewater treatment applications.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 12","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689048","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

Selective and Sensitive Detection of 2,4,6 Trinitrophenol (TNP) by Imidazolium Salt in Aqueous Medium

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-18 DOI: 10.1002/slct.202405344

Nidhi, Bharti Khungar

引用次数: 0

Glucose Carbon Spheres Uniformly Coupled with Cotton-Derived Carbon Nanofibers as Ultrafast Anodes for Sodium-Ion Batteries

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-18 DOI: 10.1002/slct.202405437

Xiaowei Yang, Tongxiang Cai, Zhongran Yao, Guojie Chao

引用次数: 0

Quantum Chemical Calculation, Molecular Docking, and Biological Activity Properties of Imidazole, Pyrimidine, and Diazepine Based Compounds

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-18 DOI: 10.1002/slct.202404956

Senem Akkoc, Sevtap Çağlar-Yavuz, Burçin Türkmenoğlu, Celal Tuğrul Zeyrek, Ilhan Ozer Ilhan, Sadeq K. Alhag, Laila A. Al-Shuraym

{"title":"Quantum Chemical Calculation, Molecular Docking, and Biological Activity Properties of Imidazole, Pyrimidine, and Diazepine Based Compounds","authors":"Senem Akkoc, Sevtap Çağlar-Yavuz, Burçin Türkmenoğlu, Celal Tuğrul Zeyrek, Ilhan Ozer Ilhan, Sadeq K. Alhag, Laila A. Al-Shuraym","doi":"10.1002/slct.202404956","DOIUrl":"https://doi.org/10.1002/slct.202404956","url":null,"abstract":"In this study, seven known compounds (5a–g) were tested towards four human cancer cell lines including DLD-1, HepG2, MDA-MB-231, and MCF-7 for 48 h. In addition, all compounds were also tested in a normal human cell line (Wl-38). The results showed that a compound 5e in particular had cytotoxic effects in DLD-1, HepG2, and MCF-7. The molecular modeled structures of seven investigated compounds 5a–g in the ground state were optimized using density functional theory (DFT). The chemical parameters were determined by DFT calculations. HOMOs and LUMOs of 5a–g were revealed to provide a reasonable qualitative indication of their excitation properties. To support experimental studies, compounds (5a, 5c, and 5e) with anticancer effects were interacted with epidermal growth factor receptor (EGFR) and vascular endothelial growth factor receptor 2 (VEGFR-2), which were determined as possible targets. As a result of these interactions, binding parameter values (docking score, Glide e-model, Glide energy) between ligand and target were calculated.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 11","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143645922","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

Ni-BDC MOF/MnO2 Composite for Highly Efficient CO2 Photoreduction to CO and CH4 Under Visible Light

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-18 DOI: 10.1002/slct.202405803

Haamid Haroon, Wenjing Ji, Quanjun Xiang, Malik Wahid, Jiyang Li

{"title":"Ni-BDC MOF/MnO2 Composite for Highly Efficient CO2 Photoreduction to CO and CH4 Under Visible Light","authors":"Haamid Haroon, Wenjing Ji, Quanjun Xiang, Malik Wahid, Jiyang Li","doi":"10.1002/slct.202405803","DOIUrl":"https://doi.org/10.1002/slct.202405803","url":null,"abstract":"MOF-based composites with semiconductors offer synergistic effects, such as broader light absorption, improved charge carrier separation, and more active catalytic sites, all of which enhance the overall performance of the MOFs in CO2 reduction. This study presents the development and characterization of a Ni-BDC MOF/MnO2 composite for photocatalytic CO2 reduction under visible light. The Ni-BDC MOF with a bandgap of 3.16 eV was integrated with γ-MnO2, a visible light-absorbing semiconductor to improve charge separation and extend light absorption. The resulting composite exhibited a reduced bandgap of 2.7 eV, enabling efficient CO2 reduction to CO and CH4. Structural, optical, and electrochemical analyses confirmed the intimate interaction between Ni-BDC MOF and MnO2, enhancing charge carrier dynamics. The optimized composite achieved high yields of CO (56.97 µmol g⁻¹) and CH4 (23.5 µmol g⁻¹) after 6 h of irradiation, with enhanced stability and minimal electron-hole recombination. The mechanistic study revealed multiple intermediates involved in CO2 reduction, providing insights into the pathways for CO and CH4 formation. This work offers a sustainable approach to CO2 conversion with potential applications in greenhouse gas mitigation and energy production.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 11","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143645994","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 Characterization of a V-Shaped Heteroleptic Hg(II) Complex with Enhanced Conductivity

IF 1.9 4区化学

ChemistrySelect Pub Date : 2025-03-18 DOI: 10.1002/slct.202404751

Sourav Datta, Nargis Khatun, Dr. Pravat Ghorai, Dr. Narayan Ch. Jana, Dr. Seikh Mafiz Alam, Dr. Masoom Raza Siddiqui, Dr. Saikh Mohammad Wabaidur, Dr. Basudeb Dutta, Dr. Priyabrata Banerjee, Dr. A. K. M. Maidul Islam, Dr. Mohammad Hedayetullah Mir

{"title":"Synthesis and Characterization of a V-Shaped Heteroleptic Hg(II) Complex with Enhanced Conductivity","authors":"Sourav Datta, Nargis Khatun, Dr. Pravat Ghorai, Dr. Narayan Ch. Jana, Dr. Seikh Mafiz Alam, Dr. Masoom Raza Siddiqui, Dr. Saikh Mohammad Wabaidur, Dr. Basudeb Dutta, Dr. Priyabrata Banerjee, Dr. A. K. M. Maidul Islam, Dr. Mohammad Hedayetullah Mir","doi":"10.1002/slct.202404751","DOIUrl":"https://doi.org/10.1002/slct.202404751","url":null,"abstract":"In this article, we report the synthesis of the first example of V-shaped unique structure of complex {[Hg(nvp)2(NCS)(Cl)][Hg(nvp)2(NCS)2]} (1; 4-nvp = 4-(1-naphthylvinyl)pyridine and SCN− = thiocyanate) containing two heteroleptic monometallic Hg(II) based units. The complex 1 undergoes a variety of conventional and unconventional supramolecular interactions, such as hydrogen bonding, chalcogen⋯π, halogen⋯π, π⋯π and chalcogen⋯halogen interactions to generate higher dimensional architecture. These supramolecular assemblies, along with the presence of d10 metal ion Hg(II) promote large charge transportation and make the material to behave as a semiconductor as well as Schottky diode. The complex shows high conductivity (1.73 × 10−3 S/m), maintaining a 1.54 ideality factor. This allows quick response times with low noise, enhancing signal clarity and efficiency in electronic devices, making it ideal for high-speed photodetectors. The semiconducting behavior is also realized by density functional theory (DFT) computed band gap study.","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 11","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143645996","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