检索结果-南通市图书馆

Insight into herbicide resistance of W574L mutant Arabidopsis thaliana acetohydroxyacid synthase:molecular dynamics simulations and binding free energy calculations

引用

Science China chemistry 2010年第1期53卷 91-102页

作者： yu zhihong,wen xin & xi zhen state key laboratory of elemento-organic chemistry Department of Chemical Biology,Nankai University,Tianjin 300071,China 1. state key laboratory of elemento-organic chemistry Department of Chemical Biology Nankai University Tianjin 300071 China

Acetohydroxyacid synthase(AHAS) is the target enzyme of several classes of herbicides,such as sulfonylureas and *** many mutant AHASs with herbicide resistance have emerged along with extensive use of herbicides,therefore it is imperative to understand the detailed interaction mechanism and resistance mechanism so as to develop new potent inhibitors for wild-type or resistant *** the aid of available crystal structures of the Arabidopsis thaliana(At) AHAS-inhibitor complex,molecular dynamics(MD) simulations were used to investigate the interaction and resistance mechanism directly and dynamically at the atomic ***-level MD simulations were performed on six systems consisting of wild-type or W574L mutant AtAHAS in the complex with three sulfonylurea inhibitors,separately,and binding free energy was calculated for each system using the MM-GBSA *** analyses from structural and energetic aspects confirmed the importance of residue W574,and also indicated that W574L mutation might alert the structural charactersistic of the substrate access channel and decrease the binding affinity of inhibitors,which cooperatively weaken the effective channel-blocked effect and finally result in weaker inhibitory effect of inhibitor and corresponding herbicide resistance of W574L *** our knowledge,it is the first report about MD simulations study on the AHAS-related system,which will pave the way to study the interactions between herbicides and wild-type or mutant AHAS dynamically,and decipher the resistance mechanism at the atomic level for better designing new potent anti-resistance herbicides.

关键词： sulfonylurea herbicides,acetohydroxyacid synthase,W574L mutant,herbicide resistance,molecular dynamics simulations,binding free energy calculation MM-GBSA

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Enhanced red luminescence of Ca_(3)Si_(2−x)M_(x)O_(7):Eu^(3+)(M=Al,P)phosphors via partial substitution of Si^(4+) for applications in white light-emitting diodes

引用

Rare Metals 2024年第2期43卷 736-748页

作者： yu-Hao Ma xi Gao wen-Tao Zhang zhen-Rui Yang Zhou Zhao Chen Qu College of Materials and chemistry and Chemical Engineering Chengdu University of TechnologyChengdu610059China state key laboratory of Geohazard Prevention and Geoenvironment Protection Chengdu University of TechnologyChengdu610059China International Advanced Energy Science Research and Education Center Graduate School of Energy ScienceKyoto UniversityYoshida-HonmachiKyoto606-8501Japan

A red-emitting phosphor Ca_(2.91)Si_(2)O_(7):0.09Eu^(3+) with partial Al^(3+)/P^(5+) substitution on Si^(4+) was synthesized via a simple solid-state method,and the effects of the introduction of the M^(3+/5+)(M=Al,P)ions on the crystal structure and photoluminescence performance of Ca_(2.91)Si_(2−x)M_(x)O_(7):0.09Eu^(3+) phosphors were *** X-ray diffraction(XRD),energy-dispersive X-ray spectroscopy(EDS),and X-ray photoelectron spectroscopy(XPS)results revealed that the structure of Ca_(3)Si_(2)O_(7) remained the same after the introduction of Al^(3+) and P^(5+) *** characteristic emission of Eu^(3+)-doped Ca_(3)Si_(2−x)M_(x)O_(7) phosphors exhibited two main peaks at 617 nm(red)and 593 nm(orange)under excitation at 394 nm,which originated from the^(5)D_(0)→^(7)F_(2)and^(5)D_(0)→^(7)F_(1) electron transitions of Eu^(3+) *** the partial substitution of Al^(3+) and P^(5+),the red emission intensities of the Ca_(2.91)Si_(2)O_(7):0.09Eu^(3+) phosphors were significantly enhanced by 1.88-and 1.42-fold,respectively,which is attributed to the crystal-field effect around Eu^(3+).Meanwhile,the luminescence intensities of the Ca_(2.91)Si_(1.96)Al_(0.04)O_(7):0.09Eu^(3+) and Ca_(2.91)Si_(1.94)P_(0.06)O_(7):0.09Eu^(3+) phosphors at 210℃ were 79.36%and 77.53%of those at 30°C,respectively,indicating their excellent thermal ***,the as-prepared Ca_(2.91)Si_(1.96)Al_(0.04)O_(7):0.09Eu^(3+)and Ca_(2.91)Si_(1.94)P_(0.06)O_(7):0.09Eu^(3+) red-emitting phosphors were combined with a near-ultraviolet chip of 395 nm to fabricate red-light-emitting diode(LED)and white(w)-LED devices with excellent chromaticity *** summary,Al^(3+)/P^(5+)-substituted Ca_(2.91)Si_(2)O_(7):0.09Eu^(3+) can serve as red-emitting phosphors for applications in w-LEDs.

关键词： Ca_(3)Si_(2)O_(7) Red-emitting phosphor Structure substitution Luminescence enhancement Crystal-field effect White light-emitting diode

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Controlling reversible complexation-mediated polymerization(RCMP)via deep eutectic solvents:fast kinetics,narrow molecular weight distribution and mechanistic insights

引用

Science China chemistry 2024年第8期67卷 2728-2736页

作者： xin Fu zhen Lu Shen Li zheng-Hong Luo Lin-xi Hou Department of Materials-Oriented Chemical Engineering College of Chemical EngineeringFuzhou UniversityFuzhou 350116China Department of Chemical Engineering School of Chemistry and Chemical EngineeringState Key Laboratory of Metal Matrix CompositesShanghai Jiao Tong UniversityShanghai 200030China Chemical Engineering Zhicheng College of Fuzhou UniversityFuzhou 350116China Qingyuan Innovation laboratory Quanzhou 362801China

The exploitation of new green polymerization avenues for the effective synthesis of polymers by reversible-deactivation radical polymerization plays a critical role in pursuing the development of polymeric *** this work,serials of deep eutectic solvents(DES)with intermolecular-hydrogen-bonding interaction were constructed as catalysts and medium for actuating reversible complexation-mediated polymerization(RCMP)for the first time,yielding methacrylate polymers with high monomer conversion and narrow dispersion molecular weight in both water and oil *** mechanism and elementary reaction of RCMP were explored deeply,revealing that the complexation of initiator with DES to generate radicals was a ratecontrolling step and intermolecular-hydrogen-bond was primary factor to influence polymerization ***,the insights of density functional theory calculations revealed that negative electrostatic potential ensured nucleophilic *** investigation demonstrated the considerable potential of DES for RCMP,which is anticipated for other polymerization applications as a novel medium mode.

关键词： deep eutectic solvent reversible complexation-mediated polymerization intermolecular hydrogen bonding density functional theory elementary reaction steps

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Al-modified yolk-shell silica particle-supported NiMo catalysts for ultradeep hydrodesulfurization of dibenzothiophene and 4,6-dimethyldibenzothiophene:Efficient accessibility of active sites and suitable acidity

引用

Petroleum Science 2024年第1期21卷 654-666页

作者： Ke yu Wei-Min Kong zhen Zhao Ai-Jun Duan Lian Kong xi-Long Wang state key laboratory of Heavy Oil Processing China University of PetroleumBeijing102249China Institute of Catalysis for Energy and Environment College of Chemistry and Chemical EngineeringShenyang Normal UniversityShenyang 110034LiaoningChina

Yolk-shell SiO2 particles(YP)with center-radial meso-channels were fabricated through a simple and effective ***-containing YP-supported NiMo catalysts with different Al amounts(NiMo/AYP-x,x=Si/Al molar proportion)were prepared and dibenzothiophene(DBT)and 4,6-dimethyl-dibenzothiophene(4,6-DMDBT)were employed as the probes to evaluate the hydrodesulfurization(HDS)catalytic *** as-prepared AYP-x carriers and corresponding catalysts were characterized by some advanced characterizations to obtain deeper correlations between physicochemical properties and the HDS *** average pore sizes of series AYP-x supports are above 6.0 nm,which favors the mass transfer of organic *** cavity between the yolk and the shell is beneficial for the enrichment of S-containing compounds and the accessibility between reactants and active *** embedded into the silica framework could facilitate the formation of Lewis(L)and Brønsted(B)acid sites and adjust the metal-support interaction(MSI).Among all the as-synthesized catalysts,NiMo/AYP-20 catalyst shows the highest HDS *** improved HDS activity of NiMo/AYP-20 catalyst is attributed to the perfect combination of excellent structural properties of the yolk-shell mesoporous silica,enhanced acidity,moderate MSI,and good accessibility/dispersion of active components.

关键词： Al-containing yolk-shell silica particles Accessibility Acidity Metal-support interaction Hydrodesulfurization

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

A flame-retardant binder with high polysulfide affinity for safe and stable lithium–sulfur batteries

引用

Science China chemistry 2024年第3期67卷 1028-1036页

作者： Guowei yu Guofeng Ye Cheng Wang Chenyang Wang Zhaoyun Wang Pu Hu yu Li xi-xi Feng Shuang-Jie Tan Min Yan Sen xin Zhitian Liu Hubei key laboratory of Plasma chemistry and Advanced Materials Hubei Engineering Technology Research Center of Optoelectronic and New Energy MaterialsSchool of Materials Science and EngineeringWuhan Institute of TechnologyWuhan 430205China state key laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China CAS key laboratory of Molecular Nanostructure and Nanotechnology CAS Research/Education Center for Excellence in Molecular SciencesBeijing National Laboratory for Molecular Sciences(BNLMS)Institute of ChemistryChinese Academy of Sciences(CAS)Beijing 100190China University of Chinese Academy of Sciences Beijing 100049China

Lithium-sulfur(Li-S) batteries have shown promises for the next-generation, high-energy electrochemical storage, yet are hindered by rapid performance decay due to the polysulfide shuttle in the cathode and safety concerns about potential thermal runaway. To address the above challenges, herein, we show a flame-retardant cathode binder that simultaneously improves the electrochemical stability and safety of batteries. The combination of soft and hard segments in the polymer framework of binders allows high flexibility and mechanical strength for adapting to the drastic volume change during the Li(de)intercalation of the S cathode. The binder contains a large number of polar groups, which show the high affinity to polysulfides so that they help to anchor active S species at the cathode. These polar groups also help to regulate and facilitate the Li-ion transport, promoting the kinetics of polysulfide conversion reaction. The binder contains abundant phosphine oxide groups, which, in the case of battery's thermal runaway, decompose and release PO· radicals to quench the combustion reactions and stop the fire. Consequently, Li-S batteries using the new cathode binder show the improved electrochemical performance, including a low-capacity decay of 0.046% per cycle for 800 cycles at 1 C and favorable rate capabilities of up to 3 C. This work offers new insights on the practical realization of high-energy rechargeable batteries with stable storage electrochemistry and high safety.

关键词： lithium–sulfur battery polymer binder polysulfide affinity flame retardancy

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Homologous and heterologous interactions between catalytic and regulatory subunits of Escherichia coli acetohydroxyacid synthaseⅠand Ⅲ

引用

Science China chemistry 2009年第9期52卷 1362-1371页

作者： NIU CongWei, FENG Wei, ZHOU YanFei, wen xin & xi zhen state key laboratory of elemento-organic chemistry and Department of Chemical Biology, Nankai University, Tianjin 300071, China 1. state key laboratory of elemento-organic chemistry and Department of Chemical Biology Nankai University Tianjin 300071 China

Homologous and heterologous interactions between acetohydroxyacid synthase (AHAS) I and Ⅲ from E. coli have been studied by surface plasmon resonance (SPR). The catalytic and regulatory subunits association for AHAS I (KD = 1.13 × 10-7 M) was stronger than that for AHAS Ⅲ (KD = 5.29 × 10-7 M). A strong heterologous association between regulatory and catalytic subunits and heterologous activation of catalytic subunits were observed. SPR results combined with enzyme kinetics indicate that the reconstituted heterologous enzymes had similar kinetic properties as homologous enzymes, implying that the regulatory subunit of AHAS I could be replaced by the regulatory subunit of AHAS Ⅲ and vice versa. This work may be useful to further understandings of the mechanism of regulation of AHAS.

关键词： acetohydroxyacid synthase subunit interaction surface plasmon resonance

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Strong Antiferromagnetic Exchange-Coupling Observed in Hydride-Bridged Dimeric Dysprosium(Ⅲ)Single-Molecule Magnet

引用

Chinese Journal of chemistry 2024年第4期42卷 391-396页

作者： Qian-Cheng Luo Ke-xin yu Peng-Bo Jin Ye-Ye Liu yuan-Qi Zhai Yan-zhen zheng Frontier Institute of Science and Technology State Key Laboratory of Electrical Insulation and Power EquipmentXi'an Key Laboratory of Electronic Devices and Materials ChemistrySchool of Chemistry and School of PhysicsXi'an Jiaotong University99 Yanxiang RoadXi'anShaanxi710054 China

One dihydride-bridged dimeric Dy(Ⅲ)guanidinate complex,formulated as[{(Me_(3)Si)_(2)NC(NiPr)_(2)}_(2)Dy(μ-H)]_(2)(1Dy),was successfully isolated and the introduction of hydride bridges significantly reduces the intramolecular Dy(Ⅲ)…Dy(Ⅲ)distance to only 3.688(1)Å.To investigate the effect of such a short Dy(Ⅲ)…Dy(Ⅲ)distance on magnetism,we also prepared its dibromide-bridged analogue[{(Me_(3)Si)_(2)NC(NiPr)_(2)}_(2)Dy(μ-Br)]_(2)(2Dy),which has a much longer Dy(Ⅲ)…Dy(Ⅲ)distance of 4.605(4)Å.Surprisingly,2Dy demonstrates much larger effective energy barrier for magnetization reversal(U_(eff))and higher blocking temperature(T_(B)).The worse performance of 1Dy is attributed to the concerted effect of strong antiferromagnetic interactions between Dy(Ⅲ)ions(J_(total)=–2.683 cm^(–1))and the unparallel arrangement of magnetic principle axes of the Dy(Ⅲ)ions for 1Dy.

关键词： Single-molecule magnets Lanthanides Guanidinate ligand Hydride bridge Magnetic properties Ab initio calculations

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Review on recent advances of inorganic electrode materials for potassium-ion batteries

引用

Tungsten 2024年第1期6卷 174-195页

作者： Jian-zhen xiong Ze-Cheng Yang xin-Liang Guo xi-Ying Wang Chao Geng Zong-Fu Sun An-Yong xiao Quan-Chao Zhuang Ya-xin Chen Zhi-Cheng Ju School of Materials Science and Physics China University of Mining and TechnologyXuzhou 221116China

Rechargeable potassium-ion batteries(PIBs)have great potential in the application of electrochemical energy storage devices due to the low cost,the abundant resources and the low standard reduction potential of *** electrode materials are the key factors to determine the electrochemical performance of devices,relevant research is being carried out to build high-performance *** recent years,significant progress has been made in the study of the design of inorganic electrode ***,we review the cathode materials(Prussian blue and its analogues,layered oxides and poly anionic compounds)and the anode materials(antimony-based,selenium-based and bismuth-based compounds).On the basis of previous work,the structural design principles for improving the performance of electrode materials are reasonably *** the same time,the problems that need to be solved in the preparation of electrode materials and the direction of future research and improvement are pointed out.

关键词： Inorganic electrode materials Potassium-ion batteries Cathode materials Anode materials

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Engineering the axial coordination of cobalt single atom catalysts for efficient photocatalytic hydrogen evolution

引用

Nano Research 2024年第6期17卷 5114-5121页

作者： Ning Kang Lingwen Liao Xue Zhang zhen He Binlu yu Jiahong Wang Yongquan Qu Paul KChu Seeram Ramakrishna Xue-Feng yu xin Wang Licheng Bai Materials Interfaces Center Shenzhen Institute of Advanced TechnologyChinese Academy of Sciences(CAS)Shenzhen 518055China key laboratory of Materials Physics Anhui Key Laboratory of Nanomaterials and NanotechnologyCAS Center for Excellence in NanoscienceInstitute of Solid State PhysicsChinese Academy of SciencesHefei 230031China Department of chemistry City University of Hong KongKowloonHong Kong 999077China Hong Kong Branch of National Precious Metals Material Engineering Research Center(NPMM) City University of Hong KongKowloonHong Kong 999077China key laboratory of Special Functional and Smart Polymer Materials of Ministry of Industry and Information Technology School of Chemistry and Chemical EngineeringNorthwestern Polytechnical UniversityXi’an 710072China Department of Physics and Department of Materials Science and Engineering City University of Hong KongKowloonHong Kong 999077China National University of Singapore(NUS)Centre for Nanofibers and Nanotechnology Department of Mechanical EngineeringNational University of SingaporeSingapore 117542Singapore

Improving the catalytic activity of non-noble metal single atom catalysts(SACs)has attracted considerable attention in materials *** optimizing the local electronic structure of single atom can greatly improve their catalytic activity,it often involves in-plane modulation and requires high ***,we report a novel strategy to manipulate the local electronic structure of SACs via the modulation of axial Co-S bond anchored onto graphitic carbon nitride(C_(3)N_(4))at room temperature(RT).Each Co atom is bonded to four N atoms and one S atom(Co-(N,S)/C_(3)N_(4)).Owing to the greater electronegativity of S in the Co-S bond,the local electronic structure of the Co atoms is available to be controlled at a relatively moderate ***,when employed for the photocatalytic hydrogen evolution reaction,the adsorption energy of intermediate hydrogen(H*)on the Co atoms is remarkably *** the presence of the Co-(N,S)/C_(3)N_(4)SACs,the hydrogen evolution rates reach up to 10 mmol/(g·h),which is nearly 10 and 2.5 times greater than the rates in the presence of previously reported transition metal/C_(3)N_(4)and noble platinum nanoparticles(PtNPs)/C_(3)N_(4)catalysts,*** to the tailorable axial Co-S bond in the SAC,the local electronic structure of the Co atoms can be further optimized for other photocatalytic *** axial coordination engineering strategy is universal in catalyst designing and can be used for a variety of photocatalytic applications.

关键词： transition metal single-atom local electronic structure photocatalytic hydrogen evolution graphitic carbon nitride axial coordination environment

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Fabrication of MXene-Bi_(2)WO_(6)heterojunction by Bi_(2)Ti_(2)O_(7)hinge for extraordinary LED-light-driven photocatalytic performance

引用

Nano Research 2024年第6期17卷 4729-4736页

作者： Zhiwen Li Liangliang Xu Zaheer Ud Din Babar Ali Raza Yifei Zhang xinrui Gu yu-xin Miao zhen Zhao Gao Li Institute of Catalysis for Energy and Environment College of Chemistry and Chemical EngineeringShenyang Normal UniversityShenyang 110034China state key laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China Scuola Superiore Meridionale(SSM) University of Naples Federico IILargo S.Marcellino1080138Italy Department of Chemical and Biomolecular Engineering Korea Advanced Institute of Science and Technology(KAIST)Daejeon 34141Republic of Korea University of Chinese Academy of Sciences Beijing 100049China

Heterojunction composites with intimate interfaces can shorten the diffusion distance,which leads to a shorter path for photogenerated carriers,thereby increasing photocatalytic ***,we report the fabrication of Ti_(3)C_(2)-Bi_(2)WO_(6)(TC-BW)heterojunctions hinged by Bi_(2)Ti_(2)O_(7)joints via an in situ hydrothermal reaction of Ti_(3)C_(2)in the presence of Na_(2)WO_(4)and Bi(NO_(3))_(3).The TC-BW was characterized using X-ray diffraction(XRD),scanning transmission electron microscopy(STEM),and Raman ***-BW showed superior photocatalytic activity(productivity over 15TC-WB reaches up to 5.0 mmolreacted BA·gcat.^(−1)·h^(−1))in the oxidation of benzyl alcohol using light-emitting diode(LED)light,arising from the surface defects and intimate heterojunction interface between the Ti_(3)C_(2)MXene and Bi_(2)WO_(6)***-BW heterojunctions provide an enhanced separation efficiency of photogenerated charges,which in turn yields superior photocatalytic ***,it is well substantiated by density functional theory(DFT)*** summary,this study elucidates the preparation of heterojunction composites with intimate interfaces for highly efficient photooxidation.

关键词： MXene-Bi_(2)WO_(6) heterojunction LED-light-driven photocatalysis Bi_(2)Ti_(2)O_(7) photooxidation

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：