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1.
Deposition of amyloid β (Aβ) fibrils in the brain is a key pathologic hallmark of Alzheimer’s disease. A class of polyphenolic biflavonoids is known to have anti-amyloidogenic effects by inhibiting aggregation of Aβ and promoting disaggregation of Aβ fibrils. In the present study, we further sought to investigate the structural basis of the Aβ disaggregating activity of biflavonoids and their interactions at the atomic level. A thioflavin T (ThT) fluorescence assay revealed that amentoflavone-type biflavonoids promote disaggregation of Aβ fibrils with varying potency due to specific structural differences. The computational analysis herein provides the first atomistic details for the mechanism of Aβ disaggregation by biflavonoids. Molecular docking analysis showed that biflavonoids preferentially bind to the aromatic-rich, partially ordered N-termini of Aβ fibril via the π–π interactions. Moreover, docking scores correlate well with the ThT EC50 values. Molecular dynamic simulations revealed that biflavonoids decrease the content of β-sheet in Aβ fibril in a structure-dependent manner. Hydrogen bond analysis further supported that the substitution of hydroxyl groups capable of hydrogen bond formation at two positions on the biflavonoid scaffold leads to significantly disaggregation of Aβ fibrils. Taken together, our data indicate that biflavonoids promote disaggregation of Aβ fibrils due to their ability to disrupt the fibril structure, suggesting biflavonoids as a lead class of compounds to develop a therapeutic agent for Alzheimer’s disease.  相似文献   
2.
The calcium pump (sarco/endoplasmic reticulum Ca2+-ATPase, SERCA) plays a major role in calcium homeostasis in muscle cells by clearing cytosolic Ca2+ during muscle relaxation. Active Ca2+ transport by SERCA involves the structural transition from a low-Ca2+ affinity E2 state toward a high-Ca2+ affinity E1 state of the pump. This structural transition is accompanied by the countertransport of protons to stabilize the negative charge and maintain the structural integrity of the transport sites and partially compensate for the positive charges of the two Ca2+ ions passing through the membrane. X-ray crystallography studies have suggested that a hydrated pore located at the C-terminal domain of SERCA serves as a conduit for proton countertransport, but the existence and function of this pathway have not yet been fully characterized. We used atomistic simulations to demonstrate that in the protonated E2 state and the absence of initially bound water molecules, the C-terminal pore becomes hydrated in the nanosecond timescale. Hydration of the C-terminal pore is accompanied by the formation of water wires that connect the transport sites with the cytosol. Water wires are known as ubiquitous proton-transport devices in biological systems, thus supporting the notion that the C-terminal domain serves as a conduit for proton release. Additional simulations showed that the release of a single proton from the transport sites induces bending of transmembrane helix M5 and the interaction between residues Arg762 and Ser915. These structural changes create a physical barrier against full hydration of the pore and prevent the formation of hydrogen-bonded water wires once proton transport has occurred through this pore. Together, these findings support the notion that the C-terminal proton release pathway is a functional element of SERCA and also provide a mechanistic model for its operation in the catalytic cycle of the pump.  相似文献   
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角接触球轴承在运行过程中的润滑状况至关重要,润滑油直接影响滚动轴承的接触状态。为分析角接触球轴承的润滑状况以及考虑润滑时轴承的机械特性,基于有限元和晶格玻尔兹曼方法,建立了双向流固耦合轴承仿真模型,对角接触球轴承进行动力学有限元仿真和润滑流体仿真,并与轴承拟静力学理论计算结果进行对比,验证模型的准确性。分析结果表明,保持架与滚珠接触并撞击,在轴承腔内油膜压力最大,滚珠与内圈、外圈滚道接触区分别为第二、第三大油膜压力区。润滑油受滚珠公转影响,沿着滚珠转动方向流动,实现对滚珠与内圈、外圈和保持架之间的润滑。滚珠运动和最大接触应力仿真结果与轴承拟静力学理论求解结果一致,即流固耦合仿真模型计算轴承机械特性具有较高的准确性。  相似文献   
5.
范磊 《液压与气动》2021,(7):171-178
针对某一体式夹紧器工作原理,以及根据打开周期、有无气缓冲、气缓冲形式、负载因素不同,定义不同工况,制定一体式夹紧器下盖冲击的测试方案。可调节工装设计为模拟不同负载工况提供了便捷条件;搭建测试和信号采集平台,获得夹紧器在不同工况条件下冲击力和动态性能——爬行、反弹、撞击;确定下盖冲击力主要影响因素——打开周期、负载、气缓冲效果,并对其敏感性进行量化分析。通过工况1,4的数据记录对比得出,现有的缓冲结构可以减少160%~290%的下盖冲击力。实验结论为V63夹紧器设计和气缓冲设计提供依据,为V63夹紧器标准工况应用条件提供量化分析数据支撑。  相似文献   
6.
针对激光聚变冲击波速度测量的需求,设计了一种集被动式扫描高温计和主动式冲击波速度测量于一体的复合冲击波速度测量系统。通过采用多种耐辐射光学玻璃材料,实现了共用光路的400~700 nm耐辐射消色差设计;通过采用自动控制干涉仪简化了系统操作;主动测速系统通过切换不同焦距的中继成像镜头,实现了不同放大倍率的切换。系统的物方视场为φ2.0 mm,主动式测速系统的放大倍率为10×,20×,30×,静态实验干涉条纹平直,调制度达到0.69以上,物方分辨率达到4.72μm。该系统在激光聚变装置上能够实现冲击波速度的动态测量。  相似文献   
7.
电力企业智能招聘系统对电力企业招贤纳才,提高电力企业市场竞争力具有至关重要的作用。本文将卷积神经网络作用于智能招聘系统原始图像,采用K均值聚类算法对图像进行识别,同时对招聘系统的用户管理模块、信息检索模块、求职管理模块以及安全验证模块进行了设计与实现。将深度学习的经典算法卷积神经网络应用于智能招聘系统中使得智能招聘系统的安全性、智能性得到了很大程度的提升,对智能招聘系统的设计具有一定的实用价值。  相似文献   
8.
随着科学技术的快速发展与进步,当今社会要求学生学习知识水平越来越高,要求其学习范围更为广泛。因此目前学生仅依凭英语课堂学习还远远不够,很多时候根本无法适应社会发展的需要,所以培养学生自学能力就显得非常重要。由此提出开发一款英语自学系统为英语爱好者提供自学英语平台。文章立足于Web网络,依托B/C结构,应用ASP.NET和数据库进行相互融入技术;然后从功能模块,数据库等设计详细分析本系统设计;最后从聊天室、BBS论坛、以及留言板等方面来实现本系统的在线沟通与交流,从而完成了本系统研究。该系统不但能使学生学习英语不受时空限制,而且对于提升他们学习英语效果与使用英语能力均有很大帮助。  相似文献   
9.
针对中性点不接地系统单相接地故障选线困难的问题,通过母线故障相接地故障转移与中性点接入小电阻的方式来增强故障信息从而选出故障线路。建立了故障转移阶段、并联电阻投入前后各个阶段的零序网络模型,分析了健全线路和故障线路各自的零序电流幅值的变化特征。在中性点小电阻投入、母线开关分闸前后各馈线零序电流幅值变化明显,健全线路零序电流在母线开关分闸后显著减小而故障线路零序电流增大。利用故障线路与健全线路的零序电流变化特征构建了不接地系统故障选线判据。大量的仿真计算验证了该方法对于不接地系统单相接地故障良好的适应性,有助于进一步提高故障选线准确率。  相似文献   
10.
Heparanase (Hpse) is an endo-β-D-glucuronidase capable of cleaving heparan sulfate side chains. Its upregulated expression is implicated in tumor growth, metastasis and angiogenesis, thus making it an attractive target in cancer therapeutics. Currently, a few small molecule inhibitors have been reported to inhibit Hpse, with promising oral administration and pharmacokinetic (PK) properties. In the present study, a ligand-based pharmacophore model was generated from a dataset of well-known active small molecule Hpse inhibitors which were observed to display favorable PK properties. The compounds from the InterBioScreen database of natural (69,034) and synthetic (195,469) molecules were first filtered for their drug-likeness and the pharmacophore model was used to screen the drug-like database. The compounds acquired from screening were subjected to molecular docking with Heparanase, where two molecules used in pharmacophore generation were used as reference. From the docking analysis, 33 compounds displayed higher docking scores than the reference and favorable interactions with the catalytic residues. Complex interactions were further evaluated by molecular dynamics simulations to assess their stability over a period of 50 ns. Furthermore, the binding free energies of the 33 compounds revealed 2 natural and 2 synthetic compounds, with better binding affinities than reference molecules, and were, therefore, deemed as hits. The hit compounds presented from this in silico investigation could act as potent Heparanase inhibitors and further serve as lead scaffolds to develop compounds targeting Heparanase upregulation in cancer.  相似文献   
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