检索结果-南通市图书馆

Effects of Non-specific and Specific Solvation on Adsorption of BPTI on Au Surface： Insight from Molecular Dynamics Simulation

引用

Chinese Journal of Chemical Physics 2013年第5期26卷 558-568,I0003,I0004页

作者： Wei Yang Li-yun Zhang Meng-long Li xue-mei pu Nan-rong Zhao Faculty of Chemistry Sichuan University Chengdu 610064 China

Proteins adsorption at solid surfaces are of paramount important for many natural processes. However, the role of specific water in influencing the adsorption process has not been well understood. We used molecular dynamics simulation to study the adsorption of BPTI on Au surface in three water environments （dielectric constant model, partial and full solvation models）. The result shows that a fast and strong adsorption can occur in the dielectric environment, which leads to significant structure changes, as confirmed by great deviation from the crystal structure, largely spreading along the Au surface, rapid lose in all secondary structures and the great number of atoms in contact with the surface. Compared to the dielectric model, slower adsorption and fewer changes in the calculated properties above are observed in the partial solvation system since the specific water layer weakens the adsorption effects. However, in the partial solvation system, the adsorption of polar Au surface causes a significant decrease in the specific hydration around the protein, which still results in large structure changes similar to the dielectric system, but with much less adsorption extent. Enough water molecules in the full solvation system could allow the protein to rotate, and to large extent preserve the protein native structure, thus leading to the slowest and weakest adsorption. On the whole, the effects of non-specific and specific solvation on the protein structure and adsorption dynamics are significantly different, highlighting the importance of the specific water molecule in the protein adsorption.

关键词： Adsorption Au surface Implicit water Partial solvation Full solvation

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

Using position specific scoring matrix and auto covariance to predict protein subnuclear localization

引用

Journal of Biomedical Science and Engineering 2009年第1期2卷 51-56页

作者： Rong-Quan Xiao Yan-Zhi Guo Yu-Hong Zeng Hai-Feng Tan Hai-Feng Tan xue-mei pu Meng-Long Li College of Chemistry Sichuan University Chengdu 610064 P.R. China College of Life Sciences Sichuan University College of Life Sciences Sichuan University Chengdu 610064

The knowledge of subnuclear localization in eukaryotic cells is indispensable for under-standing the biological function of nucleus, genome regulation and drug discovery. In this study, a new feature representation was pro-posed by combining position specific scoring matrix (PSSM) and auto covariance (AC). The AC variables describe the neighboring effect between two amino acids, so that they incorpo-rate the sequence-order information;PSSM de-scribes the information of biological evolution of proteins. Based on this new descriptor, a support vector machine (SVM) classifier was built to predict subnuclear localization. To evaluate the power of our predictor, the benchmark dataset that contains 714 proteins localized in nine subnuclear compartments was utilized. The total jackknife cross validation ac-curacy of our method is 76.5%, that is higher than those of the Nuc-PLoc (67.4%), the OET- KNN (55.6%), AAC based SVM (48.9%) and ProtLoc (36.6%). The prediction software used in this article and the details of the SVM parameters are freely available at http://***/ predict_SubNL/*** and the dataset used in our study is from Shen and Chou’s work by downloading at http://***/ bioinf/Nuc-PLoc/***.

关键词： Position Specific Scoring Matrix Auto Covariance Support Vector Machine Protein Subnuclear Localization Prediction

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

NOX4 exacerbates Parkinson's disease pathology by promoting neuronal ferroptosis and neuroinflammation

引用

Neural Regeneration Research 2025年第7期20卷 2038-2052页

作者： Zhihao Lin Changzhou Ying Xiaoli Si Naijia xue Yi Liu Ran Zheng Ying Chen Jiali pu Baorong Zhang Department of Neurology The Second Affiliated HospitalZhejiang University School of MedicineHangzhouZhejiang ProvinceChina

Parkinson's disease is primarily caused by the loss of dopaminergic neurons in the substantia nigra ***,a novel form of regulated cell death characterized by iron accumulation and lipid peroxidation,plays a vital role in the death of dopaminergic ***,the molecular mechanisms underlying ferroptosis in dopaminergic neurons have not yet been completely *** oxidase 4 is related to oxidative stress,however,whether it regulates dopaminergic neuronal ferroptosis remains *** aim of this study was to determine whether NADPH oxidase 4 is involved in dopaminergic neuronal ferroptosis,and if so,by what *** found that the transcriptional regulator activating transcription factor 3 increased NADPH oxidase 4 expression in dopaminergic neurons and astrocytes in an 1-methyl-4-phenyl-1,2,3,6 tetrahydropyridine-induced Parkinson's disease *** oxidase 4 inhibition improved the behavioral impairments observed in the Parkinson's disease model animals and reduced the death of dopaminergic ***,NADPH oxidase 4 inhibition reduced lipid peroxidation and iron accumulation in the substantia nigra of the Parkinson's disease model ***,we found that NADPH oxidase 4 interacted with activated protein kinase Cαto prevent ferroptosis of dopaminergic ***,by lowering the astrocytic lipocalin-2 expression,NADPH oxidase 4 inhibition reduced 1-methyl-4-phenyl-1,2,3,6 tetrahydropyridine-induced *** findings demonstrate that NADPH oxidase 4 promotes ferroptosis of dopaminergic neurons and neuroinflammation,which contribute to dopaminergic neuron death,suggesting that NADPH oxidase 4 is a possible therapeutic target for Parkinson's disease.

关键词： dopaminergic neuron ferroptosis NADPH oxidase 4(NOX4) neuroinflammation Parkinson's disease

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 new horizon for neuroscience:terahertz biotechnology in brain research

引用

Neural Regeneration Research 2025年第2期20卷 309-325页

作者： Zhengping pu Yu Wu Zhongjie Zhu Hongwei Zhao Donghong Cui Shanghai Key Laboratory of Psychotic Disorders Shanghai Mental Health CenterShanghai Jiao Tong University School of MedicineShanghaiChina Department of Psychiatry Kangci Hospital of JiaxingTongxiangZhejiang ProvinceChina Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghaiChina Key Laboratory of Interfacial Physics and Technology Shanghai Institute of Applied PhysicsChinese Academy of ScienceShanghaiChina National Facility for Protein Science in Shanghai Shanghai Advanced Research InstituteChinese Academy of SciencesShanghaiChina

Terahertz biotechnology has been increasingly applied in various biomedical fields and has especially shown great potential for application in brain *** this article,we review the development of terahertz biotechnology and its applications in the field of *** evidence indicates promising prospects for the use of terahertz spectroscopy and terahertz imaging techniques in the diagnosis of amyloid disease,cerebrovascular disease,glioma,psychiatric disease,traumatic brain injury,and myelin *** vitro and animal experiments have also demonstrated the potential therapeutic value of terahertz technology in some neuropsychiatric *** the precise underlying mechanism of the interactions between terahertz electromagnetic waves and the biosystem is not yet fully understood,the research progress in this field shows great potential for biomedical noninvasive diagnostic and therapeutic ***,the biosafety of terahertz radiation requires further exploration regarding its two-sided efficacy in practical *** review demonstrates that terahertz biotechnology has the potential to be a promising method in the field of neuropsychiatry based on its unique advantages.

关键词： biological effect brain neuron neuropsychiatry neuroscience non-thermal effect terahertz imaging terahertz radiation terahertz spectroscopy terahertz technology

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

Experimental Study for Effect of Multi-Site Spark Ignition on Dedicated Hybrid Engine Performance under High Dilution Condition

引用

Journal of Thermal Science 2025年第1期34卷 254-267页

作者： YAN Bowen WATERS Benjamin HAINES Andrew MCGHEE Mike HU Tiegang DENG Wei pu Yongxian MA Tianyu Powertrain Engineering R&D Center Chongqing Changan Automobile Co.Ltd. Changan UK R&D Centre Limited

In this study,a triple spark ignition scheme was first designed on a three-cylinder 1.5-L dedicated hybrid engine（DHE）.On this basis,the effect of different ignition modes on engine combustion and emission characteristics was studied,especially under high dilution *** results tested at 2000 r/min and 0.8 MPa BMEP（brake mean effective pressure） show that with highly increased in-cylinder flow intensity,using only passive prechamber（PPC） has a lower lean limit than that with single central spark plug（CSP）,thereby leading to slightly higher minimum fuel consumption and nitrogen oxides（NOx） *** side spark plugs（SSP）based on PPC can result in improved capability of lean limit extension and engine performance than ***,the improvement level is lower than that with triple spark plugs（TSP）.As the excess air ratio λincreases,the advantage of PPC and PPC with SSP in improving the combustion phasing compared with CSP gradually ***,the increasing tendency of their ignition delay and combustion duration is more *** added SSP based on PPC can effectively shorten the ignition delay of leaner mixture,but the combustion duration can be only slightly *** a result,under extremely lean condition,the advantage of PPC and PPC with SSP in terms of combustion characteristics over CSP becomes much *** contrast,the TSP ignition can achieve much shorter ignition delay and combustion duration simultaneously under this *** to the highest available dilution level,the TSP ignition achieves the lowest raw ***,it can also reduce the raw carbon monoxide（CO） and hydrocarbons（HC） emissions compared to CSP due to a more thorough combustion of the end gas *** on the excellent performance of TSP,the highest engine brake thermal efficiency（BTE） was further *** results show that with normal RON 92 fuel,the engine finally achieved 43.69% and 45.02% BTE under stochiometric mode with exhaust

关键词： dedicated hybrid engine high dilution condition NOx emissions passive prechamber thermal efficiency triple spark plug scheme

来源：

同方期刊数据库评论

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Effects of aggregate size distribution and carbon nanotubes on the mechanical properties of cemented gangue backfill samples under true triaxial compression

引用

International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 311-324页

作者： Qian Yin Fan Wen Zhigang Tao Hai pu Tianci Deng Yaoyao Meng Qingbin Meng Hongwen Jing Bo Meng Jiangyu Wu State Key Laboratory of Intelligent Construction and Healthy Operation and Maintenance of Deep Underground Engineering China University of Mining and TechnologyXuzhou 221116China State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines Anhui University of Science and TechnologyHuainan 232001China State Key Laboratory for Geomechanics&Deep Underground Engineering China University of Mining and Technology(Beijing)Beijing 100083China Key Laboratory of Xinjiang Coal Resources Green Mining Ministry of EducationXinjiang Institute of EngineeringUrumqi 830023China

The mechanical behavior of cemented gangue backfill materials(CGBMs)is closely related to particle size distribution(PSD)of aggregates and properties of cementitious ***,the true triaxial compression tests,CT scanning,SEM,and EDS tests were conducted on cemented gangue backfill samples(CGBSs)with various carbon nanotube concentrations(P_(CNT))that satisfied fractal theory for the PSD of *** mechanical properties,energy dissipations,and failure mechanisms of the CGBSs under true triaxial compression were systematically *** results indicate that appropriate carbon nanotubes(CNTs)effectively enhance the mechanical properties and energy dissipations of CGBSs through micropore filling and microcrack bridging,and the optimal effect appears at P_(CNT)of 0.08wt%.Taking PSD fractal dimension(D)of 2.500 as an example,compared to that of CGBS without CNT,the peak strength(σ_(p)),axial peak strain(ε_(1,p)),elastic strain energy(Ue),and dissipated energy(U_(d))increased by 12.76%,29.60%,19.05%,and90.39%,***,excessive CNTs can reduce the mechanical properties of CGBSs due to CNT agglomeration,manifesting a decrease inρ_(p),ε_(1,p),and the volumetric strain increment(Δε_(v))when P_(CNT)increases from 0.08wt%to 0.12wt%.Moreover,the addition of CNTs improved the integrity of CGBS after macroscopic failure,and crack extension in CGBSs appeared in two modes:detour and pass through the ***σ_(p)and U_(d)firstly increase and then decrease with increasing D,and porosity shows the opposite ***ε_(1,p)andΔε_(v)are negatively correlated with D,and CGBS with D=2.150 has the maximum deformation parameters(ε_(1,p)=0.05079,Δε_(v)=0.01990)due to the frictional slip effect caused by coarse *** increasing D,the failure modes of CGBSs are sequentially manifested as oblique shear failure,"Y-shaped"shear failure,and conjugate shear failure.

关键词： cemented gangue backfill materials particle size distribution true triaxial compression test carbon nanotubes mechanical properties failure modes

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

Potassium ions and cyano group modified g-C3N4 for effective generation of H2O2 through two-electron oxygen reduction

引用

Science China Chemistry 2025年第1期68卷 192-200页

作者： Dongying Wang Shulan pu Yongmin Chen Ke Lei Yujie Duan Linjiao Mao Xuhui Zeng Xi Luo Yuntao Zhang Yuqin Dong Jin Zhong Zhang Yan Sun School of Mechanical Engineering Chengdu University Department of Chemistry and Biochemistry University of California

Potassium ions （K+） doped graphitic carbon nitride （g-C3N4） was prepared by a thermal etching method using potassium hydroxide （KOH） as an ion *** transform infrared spectroscopy （FTIR） and X-ray photoelectron spectroscopy （XPS）results showed that the generation of the cyano group was detected while introducing K+.Under simulated sunlight irradiation,the sample with a K+doping amount of 10%showed the highest hydrogen peroxide （H2O2） generation rate of2,140.2μmol *** apparent quantum yield （AQY） at 400 nm and the solar-to-chemical conversion （SCC） are 4.35%and1.23%,respectively.K+acted as a bridge between g-C3N4layers,which enhanced charge transfer ***,the cyano group enhanced the adsorption capacity of protons （H+） and promoted the yield of *** catalyst exhibited excellent photocatalytic stability based on four-cycle *** addition,a mechanism study showed that superoxide radicals （·O2-）were the most important active species in the reaction *** production of H2O2was achieved through consecutive single-electron *** study deepens the understanding of the oxygen reduction reaction process and opens up a new venue for improving H2O2generation.

关键词： photocatalysis hydrogen peroxide oxygen reduction reaction potassium doping cyano group

来源：

同方期刊数据库评论

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

申家店林区不同环境大型真菌资源与多样性分析

引用

安徽农业科学 2018年第18期46卷 19-21页

作者：薛春梅郭普宇杜春梅李环明韩月新李丽靖桂云董锡文佳木斯大学生命科学学院黑龙江佳木斯154007

[目的]开发申家店林区的野生大型真菌资源。[方法]选取不同时间段实地调查了申家店林区野生大型真菌的种类,并进行了多样性与相似度分析。[结果]该林区共有真菌42种,其中优势种14种。申家店林区多样性指数、均匀度指数、优势度指数均以... 详细信息

[目的]开发申家店林区的野生大型真菌资源。[方法]选取不同时间段实地调查了申家店林区野生大型真菌的种类,并进行了多样性与相似度分析。[结果]该林区共有真菌42种,其中优势种14种。申家店林区多样性指数、均匀度指数、优势度指数均以阔叶林最高,针叶林最低。申家店林区相似度指数以阔叶林和灌丛的相似度最高,针阔混交林和灌丛的相似度最低。[结论]该研究为申家店林区大型真菌资源的综合开发利用提供参考依据。

关键词：大型真菌资源调查多样性优势种申家店林区

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

Characterization of Stratospheric Aerosol Distributions during the Volcanically Quiescent Period of 1998–2004

引用

Atmospheric and Oceanic Science Letters 2014年第4期7卷 291-296页

作者： YANG Jing-mei ZONG xue-mei WANG pu-Cai Key Laboratory of Middle Atmosphere and Global Environment Observation (LAGEO) Institute of Atmospheric Physics Chinese Academy of Sciences

The Stratospheric Aerosol and Gas Experiment （SAGE） II aerosol extinction profiles at 1020 nm were used to study the distribution characteristics of stratospheric aerosols during the volcanically quiescent period of 1998-2004. The stratospheric aerosol distributions exhibited hemispheric asymmetry between the Northern Hemisphere （NH） and the Southern Hemisphere （SH）. In the lower stratosphere below 20 km, the zonal averaged aerosol optical depths in the NH were higher than those of the corresponding SH; whereas at higher altitudes above 20 km, the optical depths in the SH-- except the equatorial region--were higher than those of the NH. At 0-10°N and 10-20°N, the stratospheric aerosol optical depth （SAOD） exhibited larger values in boreal winter and lower values in the spring and summer; at 0-10°S and 10-20°S, the SAOD presented small seasonal variations. At 30-40°N, the SAOD presented larger values in the boreal fall and winter and lower values in the spring and summer; while at 30-40°S, the SAOD exhibited larger values in the austral winter and early spring and lower values in the summer and fall. These characteristics can mainly be attributed to the seasonal cycle of the dynamic transport, and the effects of the buildup and breakdown of the polar vortex. At 50-60°S, the SAOD exhibited extremely high values during austral winter associated with the Antarctic polar vortex boundary; at 50-60°N, the SAOD also exhibited larger values during the boreal winter, but it was much less obvious than that of its southern counterpart.

关键词： aerosol stratosphere distribution optical depth

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

Chiral phosphoramidite ligand-modulated palladium auto-tandem catalysis for asymmetric dehydrogenative dienylation of imines with α-alkenes

引用

Science China Chemistry 2025年

作者： Zhong-Sheng Nong Hao-Fan Qian Ying-Chun Chen pu-Sheng Wang Liu-Zhu Gong Hefei National Research Center for Physical Sciences at the Microscale and Department of Chemistry University of Science and Technology of China Key Laboratory of Drug Targeting and Drug Delivery System (Sichuan University) Ministry of Education and Sichuan Research Center for Drug Precision Industrial Technology West China School of Pharmacy Sichuan University School of Materials and Chemistry Southwest University of Science and Technology

The development of efficient processes allowing rapid access to complex chiral molecules from easily available alkenes is a long-term pursuit in the synthetic chemistry community. Transition metal-catalyzed asymmetric functionalization of allylic C–H bond represents a unique alternative toward this goal. However, enantioselective dehydrogenative transformation of olefins to value-added optically enriched molecules remains yet to be discovered. Here, we report a highly enantioselective dehydrogenative dienylation of imines with unactivated α-alkenes driven by the synergistic action of palladium complex and carboxylic acid. Chiral phosphoramidite ligands turned out to be superior in modulating the performance of palladium autotandem catalysis and allowed a broad range of α-alkenes and imines to be transformed into chiral dienylamines. Mechanistic studies suggest that the dienes could be in situ generated from α-alkenes through a palladium(0)-mediated dehydrogenative process in the presence of excess benzoquinone oxidants, and then participated in the Pd-chiral phosphoramidite-catalyzed intermolecular vinylogous-type addition to the imines activated by the carboxylic acid co-catalyst. Notably, the second β-H elimination occurring in the dienylation event might be the turnover-limiting step.

关键词：

来源：

同方期刊数据库评论

在线全文

同方期刊数据库

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：