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Emerging structures and dynamic mechanisms ofγ-secretase for Alzheimer’s disease
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作者 Yinglong Miao Michael S.Wolfe 《Neural Regeneration Research》 SCIE CAS 2025年第1期174-180,共7页
γ-Secretase,called“the proteasome of the membrane,”is a membrane-embedded protease complex that cleaves 150+peptide substrates with central roles in biology and medicine,including amyloid precursor protein and the ... γ-Secretase,called“the proteasome of the membrane,”is a membrane-embedded protease complex that cleaves 150+peptide substrates with central roles in biology and medicine,including amyloid precursor protein and the Notch family of cell-surface receptors.Mutations inγ-secretase and amyloid precursor protein lead to early-onset familial Alzheimer’s disease.γ-Secretase has thus served as a critical drug target for treating familial Alzheimer’s disease and the more common late-onset Alzheimer’s disease as well.However,critical gaps remain in understanding the mechanisms of processive proteolysis of substrates,the effects of familial Alzheimer’s disease mutations,and allosteric modulation of substrate cleavage byγ-secretase.In this review,we focus on recent studies of structural dynamic mechanisms ofγ-secretase.Different mechanisms,including the“Fit-Stay-Trim,”“Sliding-Unwinding,”and“Tilting-Unwinding,”have been proposed for substrate proteolysis of amyloid precursor protein byγ-secretase based on all-atom molecular dynamics simulations.While an incorrect registry of the Notch1 substrate was identified in the cryo-electron microscopy structure of Notch1-boundγ-secretase,molecular dynamics simulations on a resolved model of Notch1-boundγ-secretase that was reconstructed using the amyloid precursor protein-boundγ-secretase as a template successfully capturedγ-secretase activation for proper cleavages of both wildtype and mutant Notch,being consistent with biochemical experimental findings.The approach could be potentially applied to decipher the processing mechanisms of various substrates byγ-secretase.In addition,controversy over the effects of familial Alzheimer’s disease mutations,particularly the issue of whether they stabilize or destabilizeγ-secretase-substrate complexes,is discussed.Finally,an outlook is provided for future studies ofγ-secretase,including pathways of substrate binding and product release,effects of modulators on familial Alzheimer’s disease mutations of theγ-secretase-substrate complexes.Comprehensive understanding of the functional mechanisms ofγ-secretase will greatly facilitate the rational design of effective drug molecules for treating familial Alzheimer’s disease and perhaps Alzheimer’s disease in general. 展开更多
关键词 Alzheimer’s disease amyloid precursor protein cryo-EM structures drug design intramembrane proteolysis molecular dynamics NOTCH
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The Tension Cosmology, Largest Cosmic Structures and Explosions of Supernovae from SST
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作者 Sylwester Kornowski 《Journal of High Energy Physics, Gravitation and Cosmology》 CAS 2024年第3期1029-1044,共16页
Here, using the Scale-Symmetric Theory (SST) we explain the cosmological tension and the origin of the largest cosmic structures. We show that a change in value of strong coupling constant for cold baryonic matter lea... Here, using the Scale-Symmetric Theory (SST) we explain the cosmological tension and the origin of the largest cosmic structures. We show that a change in value of strong coupling constant for cold baryonic matter leads to the disagreement in the galaxy clustering amplitude, quantified by the parameter S8. Within the same model we described the Hubble tension. We described also the mechanism that transforms the gravitational collapse into an explosion—it concerns the dynamics of virtual fields that lead to dark energy. Our calculations concern the Type Ia supernovae and the core-collapse supernovae. We calculated the quantized masses of the progenitors of supernovae, emitted total energy during explosion, and we calculated how much of the released energy was transferred to neutrinos. Value of the speed of sound in the strongly interacting matter measured at the LHC confirms that presented here model is correct. Our calculations show that the Universe is cyclic. 展开更多
关键词 scale-symmetric Theory Tension Cosmology Coupling Constants Parameters σ8 and s8 Largest Cosmic structures Dark Energy supernova Explosion Cyclic Universe
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Dietary polyphenols reduced the allergenicity ofβ-lactoglobulin via non-covalent interactions:a study on the structure-allergenicity relationship
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作者 Chi Zhang Qiaozhi Zhang +6 位作者 Huatao Li Zhouzhou Cheng Shiyu Fan Hujun Xie Zhongshan Gao Yan Zhang Linglin Fu 《Food Science and Human Wellness》 SCIE CAS CSCD 2024年第5期2617-2628,共12页
Studies showed that complexation of polyphenols with milk allergens reduced their immunogenic potential.However,the relationship between structures of polyphenols and their hypoallergenic effects on milk allergens in ... Studies showed that complexation of polyphenols with milk allergens reduced their immunogenic potential.However,the relationship between structures of polyphenols and their hypoallergenic effects on milk allergens in association with physiological and conformational changes of the complexes remain unclear.In this study,polyphenols from eight botanical sources were extracted to prepare non-covalent complexes withβ-lactoglobulin(β-LG),a major allergen in milk.The dominant phenolic compounds bound toβ-LG with a diminished allergenicity were identified to investigate their respective role on the structural and allergenic properties ofβ-LG.Extracts from Vaccinium fruits and black soybeans were found to have great inhibitory effects on the IgE-and IgG-binding abilities ofβ-LG.Among the fourteen structure-related phenolic compounds,flavonoids and tannins with larger MWs and multi-hydroxyl substituents,notably rutin,EGCG,and ellagitannins were more potent to elicit changes on the conformational structures ofβ-LG to decrease the allergenicity of complexedβ-LG.Correlation analysis further demonstrated that a destabilized secondary structure and protein depolymerization caused by polyphenol-binding were closely related to the allergenicity property of formed complexes.This study provides insights into the understanding of structure-allergenicity relationship ofβ-LG-polyphenol interactions and would benefit the development of polyphenol-fortified matrices with hypoallergenic potential. 展开更多
关键词 Cow’s milk allergy Β-LACTOGLOBULIN Protein-polyphenol interaction ALLERGENICITY Conformational structure
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双金属MOFs碳化材料的结构对锂硫电池正极性能的影响 被引量:1
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作者 曹翔宇 张秀玲 +2 位作者 杜依洋 马成乡 闫娟枝 《化工新型材料》 CAS CSCD 北大核心 2024年第1期150-155,160,共7页
利用硝酸钴和铁氰化钾在水溶液中沉淀反应以及ZIF-8在水溶液中的部分分解,分别制备了2种组成相近但结构不同的双金属有机框架前驱体Co-Fe precursor和ZCF precursor。经过多巴胺包覆,对2种产品在氩气气氛下退火获得碳化产物。将碳化产... 利用硝酸钴和铁氰化钾在水溶液中沉淀反应以及ZIF-8在水溶液中的部分分解,分别制备了2种组成相近但结构不同的双金属有机框架前驱体Co-Fe precursor和ZCF precursor。经过多巴胺包覆,对2种产品在氩气气氛下退火获得碳化产物。将碳化产物与纳米硫粉混合得到的碳/硫复合材料(E-CoFeCN@C/S、E-ZCF@C/S)分别作为正极,组装扣式锂硫电池并测试电化学性能。利用X射线衍射仪、扫描电子显微镜、透射电子显微镜、热重分析仪进行形貌和结构分析。在组成相似的情况下,核壳结构碳载体(E-CoFeCN@C)与发散式结构碳载体(E-ZCF@C)对锂硫电池性能的影响呈现出“此消彼长”的特点:E-ZCF@C/S在循环伏安测试中表现出更小的极化以及更强的电流响应,在电化学阻抗测试中表现出更低的电荷转移阻抗,表明该材料有利于促进正极电荷传递过程,即加快电极反应动力学。E-ZCF@C/S在0.2C倍率下放电初始比容量为1211.3mAh/g,在2C倍率下放电初始比容量为794mAh/g,均优于E-CoFeCN@C/S。而核壳结构的优势主要体现在容量衰减方面,E-CoFeCN@C/S在0.2C倍率下经过100次循环后平均衰减率为0.074%(E-ZCF@C/S为0.26%),在2C倍率下循环300次后平均衰减率为0.047%(E-ZCF@C/S为0.13%),说明核壳结构对活性物质的锚固作用明显而对电荷转移不利。 展开更多
关键词 双金属MOFs 锂硫电池 材料结构 电化学性能
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HBsAg和HBsAb共存的慢性乙肝患者的血清学特征和S区突变位点
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作者 刘辉 郄恒宇 +1 位作者 刘新 娄金丽 《标记免疫分析与临床》 CAS 2024年第3期393-398,共6页
目的探讨HBsAg/HBsAb双阳患者和HBsAg单阳性患者的血清学差异,并对两组患者的HBV S区突变位点进行比较分析,探寻HBsAg/HBsAb共阳性患者可能的分子机制。方法选取首都医科大学附属北京佑安医院2022年6月至2023年3月的284例HBsAg/HBsAb双... 目的探讨HBsAg/HBsAb双阳患者和HBsAg单阳性患者的血清学差异,并对两组患者的HBV S区突变位点进行比较分析,探寻HBsAg/HBsAb共阳性患者可能的分子机制。方法选取首都医科大学附属北京佑安医院2022年6月至2023年3月的284例HBsAg/HBsAb双阳患者和519例HBsAg单阳患者,统计Age、ALT、AST、AST/ALT、TBiL、ALb、r-GT、HBsAg和HBsAg滴度、HBsAb、HBeAg、HBeAb、HBcAb、WBC,对两组患者的血清学指标进行比较分析。对HBV S区扩增成功的19例HBsAg/HBsAb双阳患者和19例HBsAg单阳患者进行测序分析,统计高频突变位点,分析HBV S区突变特征,探寻HBsAg/HBsAb双阳患者可能发生的分子机制。结果HBsAg/HBsAb双阳患者和HBsAg单阳患者在性别、HBeAg、ALT、AST、TBiL、r-GT差异有统计学意义(P<0.05)。两组患者在Age、HBeAb、HBcAb、AST/ALT、Alb、WBC差异无统计学意义(P>0.05)。HBsAg/HBsAb双阳组患者C基因型占78.95%(15/19),其中A113D/T、A317C/S、A45T、A86G、A87T、A96V、A97P等突变频率较高,HBsAg单阳组C基因型占84.21%(16/19),V159A、M47T、I213L、A317S、E44G、Q267L突变频率较高,两组患者的高频突变位点明显不同。结论双阳和单阳CHB患者血清学和基因突变位点存在显著差异。建议针对HBV S区不同的突变位点进一步研究HBsAg和HBsAb共存的机制。 展开更多
关键词 HBsAG 跨膜结构域 主要亲水区 s
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中强地震发震构造标志浅析——以2023年积石山M_(S)6.2地震为例
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作者 张军龙 徐岳仁 +1 位作者 李文巧 陈峰 《地震》 CSCD 北大核心 2024年第1期226-234,共9页
地震地表破裂是地震发生的重要特征,是研究地震动力学、构造变形的重要手段。一般认为,M6 3/4以上的地震才会形成地表破裂。但近年来,也有M6.0左右的地震发生了地表破裂。本文旨在探讨中强地震地表破裂的识别方法。中强地震发震构造的... 地震地表破裂是地震发生的重要特征,是研究地震动力学、构造变形的重要手段。一般认为,M6 3/4以上的地震才会形成地表破裂。但近年来,也有M6.0左右的地震发生了地表破裂。本文旨在探讨中强地震地表破裂的识别方法。中强地震发震构造的识别具有一定的挑战性,主要表现在以下几个方面:(1)中强地震地表破裂的规模(位错量、宽度、长度和深度)较小,容易被黄土层厚覆盖,掩盖地表破裂的痕迹,不易识别;(2)非构造成因裂缝干扰,使得难以区分构造成因地表破裂。本文以2023年积石山M_(S)6.2地震为例,对中强地震构造成因破裂的识别标志进行了初步分析,提出了以下识别标志:(1)地表破裂几何展布和剖面形态,地震伴生的次生灾害(滑坡、崩塌、砂土液化等)的线性分布为识别发震构造提供参考和线索;(2)地表破裂沿破裂走向呈现稳定地穿越不同地貌单元,至少穿越一条沟谷等低凹地貌;(3)地表破裂在地质剖面上表现出稳定的产状;(4)地表破裂伴生构造形态,地表沿破裂发育雁列式褶皱(挤压鼓包)与张裂缝交替出现的现象。本文提出的识别标志为中强地震发震构造的识别提供了新的思路。 展开更多
关键词 青藏高原 拉脊山断裂带 2023年积石山M_(s)6.2地震 发震构造 地震地表破裂
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纳米C-S-H/PCE对蒸养UHPC力学性能增强机理研究
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作者 伍勇华 易昂 +2 位作者 何娟 匡玉峰 原毅冰 《硅酸盐通报》 CAS 北大核心 2024年第8期2797-2805,共9页
目前超高性能混凝土(UHPC)制品的力学性能有待进一步提升,采用纳米C-S-H/PCE对UHPC进行增强在理论上是一种可行的技术途径。本文研究了蒸养条件下掺入以聚羧酸(PCE)为分散剂的纳米水化硅酸钙(C-S-H/PCE)对UHPC力学性能的影响,通过测试... 目前超高性能混凝土(UHPC)制品的力学性能有待进一步提升,采用纳米C-S-H/PCE对UHPC进行增强在理论上是一种可行的技术途径。本文研究了蒸养条件下掺入以聚羧酸(PCE)为分散剂的纳米水化硅酸钙(C-S-H/PCE)对UHPC力学性能的影响,通过测试水化热、水化产物、微观形貌和孔结构等对其机理进行了分析。结果表明,掺入3.0%(质量分数)纳米C-S-H/PCE可以显著提高蒸养UHPC的抗压强度和抗折强度。掺入纳米C-S-H/PCE可以促进UHPC的早期水化,生成更多的水化硅酸钙(C-S-H)凝胶,使水化放热温峰增高,并缩短达到水化温峰的时间。掺入纳米C-S-H/PCE可有效改善蒸养UHPC的孔结构,在掺量为3.0%(质量分数)时总孔隙率最小,有害孔比例最低。该研究可为纳米C-S-H/PCE在蒸养UHPC中的应用提供参考。 展开更多
关键词 纳米C-s-H/PCE 超高性能混凝土 孔结构 水化放热 蒸汽养护
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基于B/S的高校实验室预约管理系统设计与实现
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作者 李丹 《现代信息科技》 2024年第5期31-35,共5页
为了实现实验室管理信息化,更好地为师生服务,文章设计并开发一套高校实验室预约管理系统。该系统是基于B/S结构,采用Vue视图框架、Nginx服务器及MySQL数据库构建而成的;支持专业实验室、教室和会议室的预约管理;入口对接华中科技大学... 为了实现实验室管理信息化,更好地为师生服务,文章设计并开发一套高校实验室预约管理系统。该系统是基于B/S结构,采用Vue视图框架、Nginx服务器及MySQL数据库构建而成的;支持专业实验室、教室和会议室的预约管理;入口对接华中科技大学统一身份认证系统,在校师生可直接使用已有的统一身份认证系统账号密码登录系统。用户可通过浏览器完成在线预约、预约查询、预约管理和数据统计等功能。该系统的应用提高了实验室管理的规范性和信息化程度。 展开更多
关键词 预约管理 实验室信息化 B/s结构 MYsQL数据库
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绿色信贷政策、ESG表现与高污染企业资本结构调整 被引量:3
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作者 董越 潘海英 《资源与产业》 2024年第1期75-85,共11页
绿色信贷政策作为结构性去杠杆的重要举措,对于高污染企业资本结构升级大有裨益。与此同时,ESG概念的提出明确了企业发展需着重考量环境(E)、社会(S)和公司治理(G)三方面的表现,即企业ESG表现也将作用于高污染企业资本结构调整。因此,... 绿色信贷政策作为结构性去杠杆的重要举措,对于高污染企业资本结构升级大有裨益。与此同时,ESG概念的提出明确了企业发展需着重考量环境(E)、社会(S)和公司治理(G)三方面的表现,即企业ESG表现也将作用于高污染企业资本结构调整。因此,论文以2011—2020年中国A股上市的高污染企业为研究样本,基于ESG表现视角,探究绿色信贷政策对高污染企业资本结构调整的作用效果。研究表明:1)绿色信贷政策显著促进高污染企业资本结构调整,区分企业负债水平后发现,相比于低负债企业,绿色信贷政策显著加快高负债污染企业的资本结构调整速度;2)绿色信贷政策会提升高污染企业的ESG表现,企业ESG表现会削弱绿色信贷政策对高污染企业资本结构调整的促进效果;3)在深入探讨企业融资约束和商业信用程度的异质性是否会影响绿色信贷政策的实施效果时,发现相较于面临弱融资约束和拥有高商业信用的企业,绿色信贷政策显著促进面临强融资约束和低商业信用的高污染企业调整资本结构。因此,探讨绿色信贷政策与高污染企业资本结构调整的关系对优化信贷资源配置、推动高污染企业绿色转型意义重大。 展开更多
关键词 绿色信贷政策 资本结构调整 企业EsG表现 高污染企业
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The quadratic-form identity for constructing Hamiltonian structures of the Guo hierarchy 被引量:3
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作者 董焕河 张宁 《Chinese Physics B》 SCIE EI CAS CSCD 2006年第9期1919-1926,共8页
The trace identity is extended to the quadratic-form identity. The Hamiltonian structures of the multi-component Guo hierarchy, integrable coupling of Guo hierarchy and (2+l)-dimensional Guo hierarchy are obtained ... The trace identity is extended to the quadratic-form identity. The Hamiltonian structures of the multi-component Guo hierarchy, integrable coupling of Guo hierarchy and (2+l)-dimensional Guo hierarchy are obtained by the quadraticform identity. The method can be used to produce the Hamiltonian structures of the other integrable couplings or multi-component hierarchies. 展开更多
关键词 Hamiltonian structure Guo's hierarchy quadratic-form identity
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Temporal change of plankton size structure preserved by Lugol's solution:a FlowCAM study
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作者 Zijia LIU Yuan DONG +3 位作者 Qian P.LI Zhengchao WU Zaiming GE Mengzhen MA 《Journal of Oceanology and Limnology》 SCIE CAS CSCD 2023年第1期290-299,共10页
Plankton size structure is crucial for understanding marine ecosystem dynamics and the associated biogeochemical processes.A fixation step by acid Lugol’s solution has been commonly employed to preserve plankton samp... Plankton size structure is crucial for understanding marine ecosystem dynamics and the associated biogeochemical processes.A fixation step by acid Lugol’s solution has been commonly employed to preserve plankton samples in the field.However,the acid Lugol’s solution can bias the estimation of size structure and the preserved plankton size structure can vary with time.Here,we explore the impact of sample storage time on the size-structure of the plankton community preserved by Lugol’s solution.Two short-term experiments and one long-term experiment were conducted to explore the change of plankton community size structure with the storage time:covering from a week to a month,and to nearly seven months based on particle-size data obtained by continuous Flow Cytometer and Microscope(FlowCAM)measurements.We found a linear change of plankton size with the storage time in short-term periods(less than 3 months)with a decrease of the slope but an increase of the intercept for the normalized biomass size spectrum(NBS S).However,there were opposite trends for NBSS with increasing slope but decreasing intercept after3 months.The potential causes of the distinct patterns of the NBSS parameters are addressed in terms of the interplay between particle aggregation and fragmentation.We found large changes in plankton biovolume and abundance among different size classes,which may indicate a distinct effect of acid Lugol’s solution on various plankton size classes.The mechanism driving temporal change in the size-structure of the Lugolfixed plankton community was further discussed in terms of particle aggregation and fragmentation.Finally,we emphasize that the effect of storage time should be taken into account when interpreting or comparing data of plankton community acquired from samples with various storage durations. 展开更多
关键词 Lugol’s PLANKTON size structure Flow Cytometer and Microscope(FlowCAM)
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基于短周期密集台阵的广州—佛山地区地壳浅部三维S波速度结构研究
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作者 高占永 叶秀薇 +4 位作者 林吉焱 段永红 王力伟 周铭 刘巧霞 《地球物理学报》 SCIE EI CAS CSCD 北大核心 2024年第4期1454-1470,共17页
广州—佛山地区位于珠三角经济区的核心地带,三条区域性断裂从中交错穿过.广州—佛山地区精细的地壳浅部三维S波速度结构,对于研究区内的城市规划建设、地震灾害评估、强地面运动模拟等具有重要意义.本文利用布设于广州—佛山地区短周... 广州—佛山地区位于珠三角经济区的核心地带,三条区域性断裂从中交错穿过.广州—佛山地区精细的地壳浅部三维S波速度结构,对于研究区内的城市规划建设、地震灾害评估、强地面运动模拟等具有重要意义.本文利用布设于广州—佛山地区短周期密集地震台阵中的1104个台站记录到的连续波形数据,采用背景噪声互相关方法计算了台站对间的互相关函数并进一步提取到周期范围在0.1~5 s内的39488条高质量面波群速度频散曲线,然后通过基于射线追踪的面波直接反演方法计算得到了研究区内0.3~3 km深度的高分辨率三维S波速度结构.结果显示:研究区内地壳浅部S波速度横向差异显著,其中南部的珠江三角洲断陷盆地S波速度结构相对较为复杂,而北部的广花盆地内部S波速度结构则表现相对简单.研究区内的低速异常主要位于断裂附近,且大都位于断裂的下降盘.珠江三角洲内三水盆地东缘表现为马鞍状低速异常,向下最大延伸至2 km,低速体南北两侧边界与控盆断裂位置基本一致.广花盆地内部存在两个平行排列的高速异常,中间夹持一平行构造走向的低速异常,总体速度结构特征符合广花盆地为一复式向斜的地质构造背景.低速异常向下延伸至1.4 km深度处,可能指示了卷入向斜地层的最大埋深.沿广州—从化断裂发育条带状低速异常,与沿断裂形成的沉积地层有关.条带状异常在浅部分为两段,表明广州—从化断裂在历史上可能具有分段活动性.玉带公园周围被高速异常环绕,异常向上延伸至距地表约1.3 km处,结合研究区已有资料推测该高速异常可能为早期岩浆侵入在地壳浅部的反映. 展开更多
关键词 密集台阵 背景噪声成像 地壳浅部 s波速度结构 广州—佛山
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Deep tectonics and seismogenic mechanisms of the seismic source zone of the Jishishan M_(s)6.2 earthquake on December 18,2023,at the northeast margin of the Tibetan Plateau 被引量:1
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作者 Qiong Wang ShuYu Li +3 位作者 XinYi Li Yue Wu PanPan Zhao Yuan Gao 《Earth and Planetary Physics》 EI CAS CSCD 2024年第3期514-521,共8页
On December 18,2023,an M_(s)6.2 earthquake occurred in Jishishan,Gansu Province,China.This earthquake happened in the eastern region of the Qilian Orogenic Belt,which is situated at the forefront of the NE margin of t... On December 18,2023,an M_(s)6.2 earthquake occurred in Jishishan,Gansu Province,China.This earthquake happened in the eastern region of the Qilian Orogenic Belt,which is situated at the forefront of the NE margin of the Tibetan Plateau(i.e.,Qinghai-Tibet Plateau),encompassing a rhombic-shaped area that intersects the Qilian-Qaidam Basin,Alxa Block,Ordos Block,and South China Block.In this study,we analyzed the deep tectonic pattern of the Jishishan earthquake by incorporating data on the crustal thickness,velocity structure,global navigation satellite system(GNSS)strain field,and anisotropy.We discovered that the location of the earthquake was related to changes in the crustal structure.The results showed that the Jishishan M_(s)6.2 earthquake occurred in a unique position,with rapid changes in the crustal thickness,Vp/Vs,phase velocity,and S-wave velocity.The epicenter of the earthquake was situated at the transition zone between high and low velocities and was in proximity to a low-velocity region.Additionally,the source area is flanked by two high-velocity anomalies from the east and west.The principal compressive strain orientation near the Lajishan Fault is primarily in the NNE and NE directions,which align with the principal compressive stress direction in this region.In some areas of the Lajishan Fault,the principal compressive strain orientations show the NNW direction,consistent with the direction of the upper crustal fast-wave polarization from local earthquakes and the phase velocity azimuthal anisotropy.These features underscore the relationship between the occurrence of the Jishishan M_(s)6.2 earthquake and the deep inhomogeneous structure and deep tectonic characteristics.The NE margin of the Tibetan Plateau was thickened by crustal extension in the process of northeastward expansion,and the middle and lower crustal materials underwent structural deformation and may have been filled with salt-containing fluids during the extension process.The presence of this weak layer makes it easier for strong earthquakes to occur through the release of overlying rigid crustal stresses.However,it is unlikely that an earthquake of comparable or larger magnitude would occur in the short term(e.g.,in one year)at the Jishishan east margin fault. 展开更多
关键词 Jishishan M_(s)6.2 earthquake crustal structure anisotropy stress and strain seismogenic mechanism northeast margin of the Tibetan Plateau
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Electronic Structures and Spectra of the Bases and Base Pairs of Nucleic Acids 被引量:1
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作者 WANG Zhi-zhong and BAI Ya-wen (Institute of Theoretical Chemistry, Jilin University, Changchun, 130023) 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1992年第2期89-95,共7页
The present paper covers electronic structures and spectra of the bases and the base pairs of nucleic acids calculated by using the INDO/S method. For free bases we give the energy levels of ground states and transiti... The present paper covers electronic structures and spectra of the bases and the base pairs of nucleic acids calculated by using the INDO/S method. For free bases we give the energy levels of ground states and transition energies of low-lying excited states and discuss the band characters. The results indicate that the calculated spectra are in good agreement with experimental values. On the other hand, our calculations for A-T and G-C pairs are very beneficial to understanding hydrogen bond properties of these pairs. 展开更多
关键词 Bases and base pairs of nucleic acid Electronic structures and spectra INDO/s
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双酚S型杂萘联苯共聚醚砜中空纤维膜结构和性能
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作者 李潮 徐培琦 +5 位作者 吕飞 王旭昆 冯会美 李海龙 张守海 蹇锡高 《膜科学与技术》 CAS CSCD 北大核心 2024年第5期75-81,共7页
以双酚S型杂萘联苯共聚醚砜(PPESS)为膜材料,聚乙二醇(PEG2000)为添加剂,采用干湿相转化法制备中空纤维膜,考察聚合物浓度、添加剂含量、牵伸速率、空气浴距离及芯液组成与膜结构和性能的关系.采用扫描电子显微镜观察中空纤维膜微观形貌... 以双酚S型杂萘联苯共聚醚砜(PPESS)为膜材料,聚乙二醇(PEG2000)为添加剂,采用干湿相转化法制备中空纤维膜,考察聚合物浓度、添加剂含量、牵伸速率、空气浴距离及芯液组成与膜结构和性能的关系.采用扫描电子显微镜观察中空纤维膜微观形貌,并对其性能进行研究.结果表明,聚合物浓度及添加剂含量的增加均会使铸膜液表观黏度呈上升趋势,中空纤维膜中海绵孔结构比例逐渐上升,水通量下降.牵伸速率及空气浴距离的增加使膜的水通量呈下降趋势,当牵伸速率为9 m/min,空气浴距离为10 cm时,膜具有较好的分离性能,水通量为106 L/(m^(2)·h),牛血清蛋白(BSA)截留率为99.8%,对尿素的清除率为52.4%. 展开更多
关键词 双酚s型杂萘联苯共聚醚砜 干湿相转化法 结构和性能
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Syntheses and Crystal Structures of Molybdenum-Sulfur Clusters Mo_3S_4 (dtp)_3(o-CH_3OC_6H_4COO)(Py) and Mo_3S(dtp)_3(p-HOC_6H_4COO)(DMF)·EtOH 被引量:1
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作者 唐艳红 李兆基 +3 位作者 吴棱 覃业燕 康遥 姚元根 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2002年第1期71-77,共7页
The title compounds Mo3S4(dtp)3(o-CH3OC6H4COO)(Py) 1 and Mo3S(dtp)3(p-HOC6H4COO)(DMF)稥tOH 2 (dtp = diethyldithiophosphate) were synthesized by thereactions of Mo3S4(dtp)4(CH3CN) and Mo3S4(dtp)3(CH2ClCOO)(Py) with o-m... The title compounds Mo3S4(dtp)3(o-CH3OC6H4COO)(Py) 1 and Mo3S(dtp)3(p-HOC6H4COO)(DMF)稥tOH 2 (dtp = diethyldithiophosphate) were synthesized by thereactions of Mo3S4(dtp)4(CH3CN) and Mo3S4(dtp)3(CH2ClCOO)(Py) with o-methoxylbenzoic acid and p-hydroxybenzoic acid, respectively. Their crystal structures were determined by X-ray diffraction analysis. The crystal data for compound 1: Mo3S10P3C25H42O9N, monoclinic P21/n, Mr = 1201.93, Z = 4, a = 14.164(1), b = 23.065(2), c = 14.732(1) ? = 109.677(1) ? V = 4532(1) ?, D= 1.762 gcm-3, = 1.428 mm-1, F (000) = 2408, R = 0.0739, wR = 0.1528 for 3552 observed reflections (I > 2); and for compound 2: Mo3S10P3C24H48O11N, triclinic P ? Mr = 1227.96, Z = 2, = 10.2098(3), b = 14.3333(4), c = 18.1711(5) ? = 94.694(1), = 102.166(1), = 110.665(1) , V = 2396.5(1)3, Dc = 1.638 gcm-3, = 1.350mm-1, F (000) = 1184, R = 0.0445, wR = 0.1281 for 6597 observed reflections (I > 2). Intermolecular S…S interactions are observed between the molecules of compound 1 while intramolecular O…HC and intermolecular S…HC hydrogen bondings are found in the crystal packing diagram of compound 2. 展开更多
关键词 molybdenum-sulfur cluster crystal structure ss interactions hydrogen bonding
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3D Digital Design of Cranes' Structures Based on Hybrid Software Architecture 被引量:1
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作者 WANG Chonghua1,LI Hua 1,2 (1.Dept. of Mechanical Engineering,Shanghai Maritime University,Shanghai 200135,China 2.Worcester Polytechnic Institute,Worcester 01609,MA,USA) 《武汉理工大学学报》 CAS CSCD 北大核心 2006年第S1期96-101,共6页
3D digital design for cranes’ structures based on hybrid software architecture of Client/Server and Browser/Server is introduced in this paper. Based on Pro/ENGINEER platform,3D parametric model family is built to al... 3D digital design for cranes’ structures based on hybrid software architecture of Client/Server and Browser/Server is introduced in this paper. Based on Pro/ENGINEER platform,3D parametric model family is built to allow generation of feasible configurations of cranes’ structures in Client/Server framework. Taking use of Visual C++,the second exploiting software kit provided by Pro/ENGINEER and ANSYS GUI/APDL modeling patterns,an integration method of 3D CAD and CAE is achieved,which includes regeneration of 3D parametric model,synchronous updating and analysis of FEA model. As in Browser/Server framework,the 3D CAD models of parts,components and the whole structure could also be displayed in the customer’s browser in VRML format. 展开更多
关键词 digital design crane’s structure HYBRID sOFTWARE architecture CAD/CAE integration
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Provenance and salt structures of gypsum formations in Pb-Zn ore-bearing Lanping basin,Southwest China 被引量:1
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作者 ZHANG Zhi-bo ZHU Zhi-jun +4 位作者 LI Huan JIANG Wei-cheng WANG Wen-feng XU Ying LI Li-rong 《Journal of Central South University》 SCIE EI CAS CSCD 2020年第6期1828-1845,共18页
Large-scale gypsum rocks associated with world-class Pb-Zn ore formations are widely distributed in the Lanping Basin,Sowthwest China.Geochemical studies alongside field investigations were conducted in this study to ... Large-scale gypsum rocks associated with world-class Pb-Zn ore formations are widely distributed in the Lanping Basin,Sowthwest China.Geochemical studies alongside field investigations were conducted in this study to determine the source and evolutionary processes of the gypsum rocks in this area.The gypsum sequences in the Lanping Basin developed in two formations:the Triassic Sanhedong Formation and the Paleogene Yunlong Formation.The gypsum hosted in the former displays a primary thick-banded structure withδ34SV-CDT values in the range of 14.5‰−14.8‰.Combined with the 87Sr/86Sr values(0.707737−0.707783)of limestone,it can be suggested that the Sanhedong Formation is of marine origin.In contrast,the gypsum from the Paleogene Yunlong Formation is characterized by the dome,bead and diapiric salt structures,wider range of both 87Sr/86Sr(0.707695−0.708629)andδ34SV-CDT values(9.6‰−17‰),thus indicating a marine source but with the input of continental materials.The initial layered salt formations were formed by chemical deposition in a basin and were later intensely deformed by collisional orogeny during the Himalaya period.As a result,variable salt structures were formed.We hereby propose an evolutionary model to elucidate the genesis of the gypsum formations in the Lanping Basin. 展开更多
关键词 Lanping basin GYPsUM marine sediment sr–s isotopes salt structure
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ZnIn_(2)S_(4)修饰TiO_(2)的分级S型异质结用于促进光催化析氢
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作者 张宝龙 刘方璇 +2 位作者 孙彬 高婷婷 周国伟 《Chinese Journal of Catalysis》 SCIE CAS CSCD 2024年第4期334-345,共12页
利用半导体光催化裂解水制氢被认为是解决日益严重的环境污染和能源短缺问题的有效途径之一,然而半导体光吸收范围窄、光生载流子复合率高以及光催化剂氧化还原能力差等问题限制了该技术的发展.为克服这些难题,构建能带结构匹配的S型异... 利用半导体光催化裂解水制氢被认为是解决日益严重的环境污染和能源短缺问题的有效途径之一,然而半导体光吸收范围窄、光生载流子复合率高以及光催化剂氧化还原能力差等问题限制了该技术的发展.为克服这些难题,构建能带结构匹配的S型异质结成为提高光催化活性的有效策略.该结构能实现光生载流子的空间分离和转移,有效地抑制其复合,同时保留了光催化体系的强氧化还原能力.本文利用原位化学浴沉积法成功地将ZnIn_(2)S_(4)纳米片修饰在花状TiO_(2)微球表面,制备了具有独特分级结构的TiO_(2)/ZnIn_(2)S_(4) S型异质结光催化材料,并研究了其光催化析氢活性.Zeta电位结果表明,TiO_(2)带有正电荷,可以率先吸附溶液中的S2-并与后续加入的In3+和Zn2+原位反应生成ZnIn_(2)S_(4),进而构建稳定的TiO_(2)/ZnIn_(2)S_(4)异质结光催化剂.X射线粉末衍射、扫描电镜和透射电镜等结果证实了TiO_(2)/ZnIn_(2)S_(4)异质结光催化剂的成功制备.紫外-可见漫反射结果表明,ZnIn_(2)S_(4)的引入明显增强了TiO_(2)的光吸收能力.结合莫特-肖特基曲线、X射线光电子能价带谱和紫外光电子能谱等表征结果,确定了TiO_(2)和ZnIn_(2)S_(4)的能带结构及费米能级位置.光电流密度、电化学阻抗、表面光电压、荧光光谱和时间分辨荧光光谱等测试结果表明,TiO_(2)/ZnIn_(2)S_(4)异质结具有较好的光生载流子分离和转移效率以及更长的光生载流子寿命.线性扫描伏安和接触角测试证明了TiO_(2)/ZnIn_(2)S_(4)异质结具有更低的过电势和良好的亲水性,更有利于析氢反应发生.通过阿伦尼乌斯方程对反应温度和析氢速率之间的关系进行拟合,结果发现,TiO_(2)/ZnIn_(2)S_(4)异质结具有更低的析氢反应表观活化能,从而更有利于光催化析氢反应发生.非原位和原位X射线光电子能谱以及电子自旋共振光谱等结果表明,TiO_(2)/ZnIn_(2)S_(4)异质结遵循S型电子转移机理.在模拟太阳光照射下,最佳配比的TiO_(2)/ZnIn_(2)S_(4)异质结的光催化析氢速率达6.85 mmol g^(-1) h^(-1),分别约为纯TiO_(2)和ZnIn_(2)S_(4)的171.2倍和3.9倍.此外,经六次循环后催化材料仍保持良好的光催化析氢活性,表明具有紧密界面接触的分级结构异质结可以有效地抑制ZnIn_(2)S_(4)的光腐蚀,且保持良好的结构稳定性.综上,本文构建了TiO_(2)/ZnIn_(2)S_(4) S型异质结,有效促进了光生载流子的空间分离和转移,同时保留了其强氧化还原能力,从而提高光催化析氢活性.本研究为设计和合成高效的异质结光催化剂提供了参考. 展开更多
关键词 TiO_(2) 分级结构 ZnIn_(2)s_(4) s型异质结 光催化 析氢
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用于低浓度H_(2)S室温稳定监测的CsPbBr_(3)@TiO_(2)异质结微晶气体传感器
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作者 逯江浩 黄胜 +4 位作者 陈露 程永超 高莎莎 陶雪钰 顾修全 《人工晶体学报》 CAS 北大核心 2024年第10期1815-1826,共12页
通过简单的溶液法用TiO(Acac)_(2)原位包覆CsPbBr_(3)全无机钙钛矿材料,在400℃加热后直接制成了CsPbBr_(3)@TiO_(2)核壳结构微晶,使用X射线衍射(XRD)、扫描电子显微镜(SEM)、高倍透射电子显微镜(HRTEM)及X射线光电子能谱(XPS)对CsPbBr_... 通过简单的溶液法用TiO(Acac)_(2)原位包覆CsPbBr_(3)全无机钙钛矿材料,在400℃加热后直接制成了CsPbBr_(3)@TiO_(2)核壳结构微晶,使用X射线衍射(XRD)、扫描电子显微镜(SEM)、高倍透射电子显微镜(HRTEM)及X射线光电子能谱(XPS)对CsPbBr_(3)@TiO_(2)微晶的晶体结构、微观形貌、化学组成进行表征。结果表明,原位金属氧化物包覆钙钛矿形成分散良好、大小为4~8μm的球壳结构。用旋涂法在掺氟氧化锡(FTO)电极上构筑了CsPbBr_(3)@TiO_(2)薄膜气体传感器,在室温下测试其对H_(2)S气体的检测灵敏度,结果发现,该传感器对H_(2)S气体的检测下限达25 ppb(1 ppb=10-9),对100 ppb H_(2)S响应/恢复时间为24/21 s,灵敏度为0.59,响应曲线具有良好的循环稳定性。另外,传感器暴露在空气中30 d内的稳定性高于90%,且具有优异的气体选择性和抗湿度干扰性。通过光致发光(PL)光谱、时间分辨光致发光(TRPL)光谱、紫外-可见漫反射光谱(UV-Vis)及紫外光电子能谱(UPS)测试分析了其能带位置、电荷动力学和配位机理,并用氧吸附原理对其传感机理进行了解释。该工作为室温下低浓度H_(2)S气体的稳定监测提供了一种新的思路。 展开更多
关键词 CsPbBr_(3) 钙钛矿 核壳结构 异质结 H_(2)s气体传感器 氧吸附原理
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