ChemPlusChem最新文献_第4页

Biofilm Demolition by [Au^III(N N)Cl(NHC)][PF₆]₂ Complexes Fastened with Bipyridine and Phenanthroline Ligands; Potent Antibacterial Agents Targeting Membrane Lipid. 用联吡啶和菲罗啉配体固定的[AuIII(N^N)Cl(NHC)][PF6]2 复合物清除生物膜；针对膜脂的强效抗菌剂。

IF 3 4区化学

ChemPlusChem Pub Date : 2024-10-22 DOI: 10.1002/cplu.202400543

Priyanka Sahu, Sourav Chakraborty, A A Isab, Santi M Mandal, Joydev Dinda

{"title":"Biofilm Demolition by [AuIII(N N)Cl(NHC)][PF6]2 Complexes Fastened with Bipyridine and Phenanthroline Ligands; Potent Antibacterial Agents Targeting Membrane Lipid.","authors":"Priyanka Sahu, Sourav Chakraborty, A A Isab, Santi M Mandal, Joydev Dinda","doi":"10.1002/cplu.202400543","DOIUrl":"10.1002/cplu.202400543","url":null,"abstract":"The development of new antibacterial drugs is essential for staying ahead of evolving antibiotic resistant bacterial (ARB) threats, ensuring effective treatment options for bacterial infections, and protecting public health. Herein, we successfully designed and synthesized two novel gold(III)- NHC complexes, [Au(1)(bpy)Cl][PF6]2 (2) and [Au(1)(phen)Cl][PF6]2 (3) based on the proligand pyridyl[1,2-a]{2-pyridylimidazol}-3-ylidene hexafluorophosphate (1⋅HPF6) [bpy=2,2'-bipyridine; phen=1,10-phenanthroline]. The synthesized complexes were characterized spectroscopically; their geometries and structural arrangements were confirmed by single crystal XRD analysis. Complexes 2 and 3 showed photoluminescence properties at room temperature and the time-resolved fluorescence decay confirmed the fluorescence lifetimes of 0.54 and 0.62 ns respectively; which were used to demonstrate their direct interaction with bacterial cells. Among the two complexes, complex 3 was found to be more potent against the bacterial strains (Staphylococcus aureus, Gram-positive and Pseudomonas aeruginosa, Gram-negative bacteria) with the MIC values of 8.91 μM and 17.82 μM respectively. Studies revealed the binding of the complexes with the fundamental phospholipids present in the cell membrane of bacteria, which was found to be the leading cause of bacterial cell death. Cytotoxicity was evaluated using an MTT assay on 293 T cell lines; emphasizing the potential therapeutic uses of the Au(III)-NHC complexes to control bacterial infections.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202400543"},"PeriodicalIF":3.0,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142454116","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 Quantum Mechanical Approach to The Mechanism of Asymmetric Synthesis of Chiral Amine by Imine Reductase from Stackebrandtia Nassauensis. 用量子力学方法研究 Stackebrandtia Nassauensis 的亚胺还原酶不对称合成手性胺的机理。

IF 3 4区化学

ChemPlusChem Pub Date : 2024-10-22 DOI: 10.1002/cplu.202400606

Merve Kopar, Nurcan Senyurt Tuzun

{"title":"A Quantum Mechanical Approach to The Mechanism of Asymmetric Synthesis of Chiral Amine by Imine Reductase from Stackebrandtia Nassauensis.","authors":"Merve Kopar, Nurcan Senyurt Tuzun","doi":"10.1002/cplu.202400606","DOIUrl":"10.1002/cplu.202400606","url":null,"abstract":"The asymmetric synthesis of tetrahydroisoquinolines (THIQs) has gained importance in recent years due to their significant potential in drug development studies. In this study, the conversion of 1-methyl-3,4-dihydroisoquinoline substrate to a chiral amine, 1-methyl-1,2,3,4-tetrahydroisoquinoline, under the catalysis of the stereoselective imine reductase enzyme from Stackebrandtia nassauensis (SnIR) was investigated in detail to elucidate the mechanism and explain the experimental enantioselectivity. The results were found to be in agreement with the experimental data. To elucidate the reaction mechanism, quantum mechanical calculations were performed by considering a large cluster of the active site of the enzyme. In this regard, possible reaction pathways leading to both R- and S-products with the corresponding intermediates and the transition states for the hydride transfer from the cofactor to the substrate were considered by density functional theory (DFT) calculations, and the factors contributing to the observed stereoselectivity were sought. The calculations supported a stepwise mechanism rather than the concerted protonation and the hydride transfer steps. The stereoselectivity in the hydride transfer was found to be due not only to the stability of the enzyme-subtrate complex but also to the corresponding reaction barriers. The calculations were performed at the wB97XD/6-311+G(2df,2p)//B3LYP/6-31G(d,p) level of theory using the PCM approach.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202400606"},"PeriodicalIF":3.0,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142454115","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

Sensitivity of Capacity Fade in Vanadium Redox Flow Battery to Electrolyte Impurity Content. 钒氧化还原液流电池容量衰减对电解质杂质含量的敏感性

IF 3 4区化学

ChemPlusChem Pub Date : 2024-10-21 DOI: 10.1002/cplu.202400372

Roman Pichugov, Pavel Loktionov, Darya Verakso, Alla Pustovalova, Dmitry Chikin, Anatoly Antipov

{"title":"Sensitivity of Capacity Fade in Vanadium Redox Flow Battery to Electrolyte Impurity Content.","authors":"Roman Pichugov, Pavel Loktionov, Darya Verakso, Alla Pustovalova, Dmitry Chikin, Anatoly Antipov","doi":"10.1002/cplu.202400372","DOIUrl":"https://doi.org/10.1002/cplu.202400372","url":null,"abstract":"The gradual capacity decrease of vanadium redox flow battery (VRFB) over long-term charge-discharge cycling is determined by electrolyte degradation. While it was initially believed that this degradation was solely caused by crossover, recent research suggests that oxidative imbalance induced by hydrogen evolution reaction (HER) also plays a significant role. In this work by using vanadium pentoxides with different impurities content, we prepared three grades of vanadium electrolyte. By measuring electrochemical properties on carbon felt electrode in three-electrode cell and VRFB membrane-electrode assembly we evaluate the influence of impurity content on battery polarization and rate of side reactions which is indicated by the increase of average oxidation state (AOS) during charge-discharge tests and varies from 0.061 to 0.027 day-1 for electrolytes made from 99.1 and 99.9 wt % V2O5. We found that increase of AOS correlates with the increase of open-circuit voltage of VRFB in the discharged state ranging from 9.6 to 14.9 mV day-1 for highest and lowest electrolyte purity levels, respectively. While AOS increase is significant, it does not solely determine capacity fade. It is demonstrated that the presence of vanadium crossover decreases capacity fade, i. e. levels the contribution of side reactions on capacity drop.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202400372"},"PeriodicalIF":3.0,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142454120","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

Diatoms in Focus: Chemically Doped Biosilica for Customized Nanomaterials. 聚焦硅藻：用于定制纳米材料的化学掺杂生物二氧化硅。

IF 3 4区化学

ChemPlusChem Pub Date : 2024-10-18 DOI: 10.1002/cplu.202400462

Cesar Vicente-Garcia, Danilo Vona, Annarita Flemma, Stefania Roberta Cicco, Gianluca Maria Farinola

{"title":"Diatoms in Focus: Chemically Doped Biosilica for Customized Nanomaterials.","authors":"Cesar Vicente-Garcia, Danilo Vona, Annarita Flemma, Stefania Roberta Cicco, Gianluca Maria Farinola","doi":"10.1002/cplu.202400462","DOIUrl":"https://doi.org/10.1002/cplu.202400462","url":null,"abstract":"Diatoms are photosynthetic microalgae widely diffused around the globe and well adapted to thrive in diverse environments. Their success is closely related to the nanostructured biosilica shell (frustule) that serves as exoskeleton. Said structures have attracted great attention, thanks to their hierarchically ordered network of micro- and nanopores. Frustules display high specific surface, mechanical resistance and photonic properties, useful for the design of functional and complex materials, with applications including sensing, biomedicine, optoelectronics and energy storage and conversion. Current technology allows to alter the chemical composition of extracted frustules with a diverse array of elements, via chemical and biochemical strategies, without compromising their valuable morphology. We started our research on diatoms from the viewpoint of material scientists, envisaging the possibilities of these nanostructured silica shells as a general platform to obtain functional materials for several applications via chemical functionalization. Our first paper in the field was published in ChemPlusChem ten years ago. Ten years later, in this Perspective, we gather the most recent and relevant functional materials derived from diatom biosilica to show the growth and diversification that this field is currently experiencing, and the key role it will play in the near future.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202400462"},"PeriodicalIF":3.0,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142454118","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

Front Cover: Towards Energy-Efficient Direct Air Capture with Photochemically-Driven CO2 Release and Solvent Regeneration (ChemPlusChem 10/2024) 封面：利用光化学驱动的二氧化碳释放和溶剂再生技术实现高能效的直接空气捕集（ChemPlusChem 10/2024）

IF 3 4区化学

ChemPlusChem Pub Date : 2024-10-15 DOI: 10.1002/cplu.202481001

Dr. Uvinduni I. Premadasa, Dr. Benjamin Doughty, Dr. Radu Custelcean, Dr. Ying-Zhong Ma

引用次数: 0

Cover Feature: Continuous-Flow Catalysis Using Phosphine-Metal Complexes on Porous Polymers: Designing Ligands, Pores, and Reactors (ChemPlusChem 10/2024) 封面专题：在多孔聚合物上使用磷金属配合物进行连续流催化：设计配体、孔隙和反应器（ChemPlusChem 10/2024）

IF 3 4区化学

ChemPlusChem Pub Date : 2024-10-15 DOI: 10.1002/cplu.202481002

Dr. Hikaru Matsumoto, Dr. Tomohiro Iwai, Prof. Dr. Masaya Sawamura, Prof. Dr. Yoshiko Miura

引用次数: 0

CeVO₄/KB Nanoparticles on Shuttle Effect Inhibition in Lithium-Sulfur Battery Separator Modification. CeVO4/KB 纳米粒子在锂硫电池隔膜改性中的梭子效应抑制作用。

IF 3 4区化学

ChemPlusChem Pub Date : 2024-10-15 DOI: 10.1002/cplu.202400416

Zhijun Zhu, Zhihong Yu, Guihuan Chen, Boyan Li, Aiju Li

{"title":"CeVO4/KB Nanoparticles on Shuttle Effect Inhibition in Lithium-Sulfur Battery Separator Modification.","authors":"Zhijun Zhu, Zhihong Yu, Guihuan Chen, Boyan Li, Aiju Li","doi":"10.1002/cplu.202400416","DOIUrl":"10.1002/cplu.202400416","url":null,"abstract":"Lithium-sulfur (Li-S) batteries display promise as redox-based batteries, where separators are an essential part of preventing short-circuiting of the positive and negative electrodes, while the shuttle effect is a critical issue of separators. Currently, commercial PP separators are weak in inhibiting the polysulfides shuttling, so modified separators are needed to inhibit it to improve the battery performance. This paper reports that CeVO4/KB composites act as separator materials. CeVO4/KB modified PP separators enhanced the adsorption of LiPSs, accelerated the rate of Li+ migration, and catalyzed the conversion of LiPSs. These bring about the effect that CeVO4/KB/PP batteries reach 1200.9 mAh g-1 in the first cycle with a capacity retention rate of 86.5 % after 100 cycles at 0.2 C and reach 882.7 mAh g-1 of the initial cycle with a capacity decay rate of 0.063 % after 1000 cycles at 3 C. This work introduces rare earth metal vanadates to modify the separator, adding new ideas for designing separators for good-performance batteries.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202400416"},"PeriodicalIF":3.0,"publicationDate":"2024-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142454117","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

Mechanically Interlocked Macrocycles on Covalent Networks for Energy and Environmental Applications. 用于能源和环境应用的共价网络上的机械互锁大环。

IF 3 4区化学

ChemPlusChem Pub Date : 2024-10-14 DOI: 10.1002/cplu.202400597

Muhua Gu, Suleman Suleman, Yoonseob Kim

{"title":"Mechanically Interlocked Macrocycles on Covalent Networks for Energy and Environmental Applications.","authors":"Muhua Gu, Suleman Suleman, Yoonseob Kim","doi":"10.1002/cplu.202400597","DOIUrl":"10.1002/cplu.202400597","url":null,"abstract":"Macrocycles' unique properties of interacting with guest molecules have been an intriguing scientific endeavor for many decades. They are potentially practically useful for engineering applications, especially in energy and environmental applications. These applications are usually demanding, involving a high temperature, pH, voltage, etc., thus, finding suitable substrates that can endure working environments and sustain macrocycles' properties is highly desirable. In that sense, covalent networks are ideal as they are chemically/electrochemically/thermally stable and can be porous by design. Emerging porous materials, especially covalent organic frameworks (COFs), could be suitable as their porous spaces allow macrocycles to interact with guest species. In the past seven years, we have seen the rise of mechanically interlocked macrocycles on covalent networks (MIMc-CNs) that translate macrocycles' properties into macroscale materials. In this conceptual review, we first describe the idea of integrating MIMcs into COFs or conventional amorphous polymers. Next, we review the reported representative MIMc-CNs used in energy and environmental applications. We also provide a brief outlook for the future directions for the MIMc-CNs research.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202400597"},"PeriodicalIF":3.0,"publicationDate":"2024-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142454119","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

Hydrophilic Ultra-Fine SiC Nanowires Enhance the Performance of Hydrated Salt Phase-Change Energy Storage Materials. 亲水性超细碳化硅纳米线提高了水合盐相变储能材料的性能。

IF 3 4区化学

ChemPlusChem Pub Date : 2024-10-11 DOI: 10.1002/cplu.202400542

Wenchao Chen, Qi Chen, Yajie Yu, Huabo Gao, Bin Ma

{"title":"Hydrophilic Ultra-Fine SiC Nanowires Enhance the Performance of Hydrated Salt Phase-Change Energy Storage Materials.","authors":"Wenchao Chen, Qi Chen, Yajie Yu, Huabo Gao, Bin Ma","doi":"10.1002/cplu.202400542","DOIUrl":"10.1002/cplu.202400542","url":null,"abstract":"In this study, ultrafine linear nanostructured SiC with high wettability and large specific surface area were synthesized via the carbothermal reduction method. These nanowires were impregnated with Na2SO4 ⋅ 10H2O, CaCl2 ⋅ 6H2O, MgCl2 ⋅ 6H2O, and CaMg2Cl6 ⋅ 12H2O to obtain composite phase change materials (CPCMs), which demonstrated improved phase separation and significantly reduced supercooling. In particular, the supercooling degree of CaCl2 ⋅ 6H2O was minimized to 0.1 °C. The SiC nanowires effectively prevented issues of dehydration and deliquescence in hydrated salts. The thermal storage capacities of the CPCMs exceeded 90 %, with Na2SO4 ⋅ 10H2O and MgCl2 ⋅ 6H2O reaching 107.10 % and 103.35 %, respectively. Furthermore, the CPCMs exhibited greater sensitivity to changes in temperature compared with the pure hydrated salt phase change materials (PCMs). These results indicate that ultra-fine SiC nanowires can act as a versatile carrier for hydrated salt PCMs at low and intermediate temperatures.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202400542"},"PeriodicalIF":3.0,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142398724","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

Carbonatoperoxovanadates with Strong Second-Harmonic Generation: Insights from First-Principles Calculations on Anisotropic Structures and Optical Parameters. 具有强二次谐波发生的碳过氧钒酸盐：关于各向异性结构和光学参数的第一原理计算的启示。

IF 3 4区化学

ChemPlusChem Pub Date : 2024-10-11 DOI: 10.1002/cplu.202400528

Jinyu Hu, Yuxin Hu, Hui Zhu, Huiyan Zhao, Chao He, Xihu Wang

{"title":"Carbonatoperoxovanadates with Strong Second-Harmonic Generation: Insights from First-Principles Calculations on Anisotropic Structures and Optical Parameters.","authors":"Jinyu Hu, Yuxin Hu, Hui Zhu, Huiyan Zhao, Chao He, Xihu Wang","doi":"10.1002/cplu.202400528","DOIUrl":"10.1002/cplu.202400528","url":null,"abstract":"Carbonatoperoxovanadates are considered as promising functional materials in optoelectronic devices due to their excellent optical properties, particularly strong second-harmonic generation (SHG) response. However, the relationship between their geometric structures and optical properties remains unclear. Herein, the structural, electronic, and optical properties of carbonatoperoxovanadates A3VO(O2)2CO3 (A=K, Rb, and Cs) were investigated using first-principles calculation. Results suggest that high-density and parallel arrangement of nonlinear optical active [VO(O2)2CO3] units are conducive to generating large SHG response in A3[V(O2)2O]CO3. Optical anisotropy was observed. Birefringence values for A3[V(O2)2O]CO3 were comparable to those of commonly used infrared nonlinear optical materials. Specifically, results of tiny optical characteristics (local dipole moments, HUMO-LUMO gap, polarizability anisotropy, and hyperpolarizability) indicate that asymmetry [VO(O2)2CO3] is an excellent nonlinear optical active functional unit, owing to the synergistic effect between its non-centrosymmetric nonlinear optical elements. This study elucidates the structure-property relationship of carbonatoperoxovanadates, offering valuable insights for designing novel high-performance SHG materials.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202400528"},"PeriodicalIF":3.0,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142398722","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