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1.
The characterization of the structure and internal dynamics of biomolecules is essential to understanding their biological function. Neutron scattering probes similar time- and length-scales to molecular dynamics simulation. Hence, simulation models of biomolecules have become invaluable in the interpretation of experimental neutron data. Here, we report on advances in the application of simulation in developing neutron scattering to investigate internal protein motions and, as an example of industrial relevance, in the derivation of physical models of use in biofuel renewable energy research. 相似文献
2.
采用碱性蛋白酶、木瓜蛋白酶、胰酶、风味酶四种酶水解青养蛋白,探讨了各种酶对青养蛋白的酶解特性、清除DPPH·能力和ORAC值的差异。结果表明,木瓜蛋白酶和风味酶复配酶解青养蛋白可以得到较好的抗氧化活性肽,且水解度、蛋白回收率均较好;酶解产物的氨基酸组成中EAA/TAA为45.06%,EAA/NEAA为82.01%均高于FAO/WHO的推荐值,表明青养蛋白酶解物是较优的营养补充剂,且富含抗氧化性氨基酸;分子量分布表明,大于10ku的组分含量为3%,5~10ku肽段的含量为9%,低于3ku的组分含量达到73%。构建模拟了胃肠道消化,青养多肽的抗氧化活性在0~0.5h之间都有一个显著增加的过程(p<0.05),在2.5~4.0h消化的过程中得到的肽的抗氧化活性均较低,且不同时间段之间的活性差异不显著。 相似文献
3.
针对水下三维摄像声纳系统的大型均匀矩形阵列, 提出了一种基于三步迭代(three-step-iteration, TSI)方位估计的幅相误差校正方法.该方法使用1个方位未知的远场校正源, 首先采用一种新的TSI方位估计算法, 获得对校正源方位的鲁棒估计;然后根据该方位估计结果和采样数据协方差矩阵, 估计阵列的幅相误差.利用该方法估计得到的幅相误差参数, 可使三维摄像声纳在存在阵列幅相误差的条件下仍提供良好的探测性能.通过仿真实验, 对该方法和基于数据协方差矩阵Toeplitz-block特性的方法进行了比较研究.实验结果表明:该方法能处理Toeplitzblock方法无法解决的大阵列相位误差问题, 同时小信噪比条件下的性能也有明显改善. 相似文献
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为了考察不同分子量大豆可溶性膳食纤维(soybean soluble dietary fiber,SSDF)对大米淀粉(rice starch,RS)糊化及流变性质的影响,本文采用快速黏度分析仪(RVA)及流变仪研究了两种分子量段(HSSDF,27.8 ku和LSSDF,9.3 ku)大豆可溶性膳食纤维的作用。RVA曲线表明添加HSSDF可提高RS的峰值黏度及最终黏度,添加LSSDF可使RS的最终黏度值降低,而峰值黏度无明显变化。两种不同分子量段的SSDF均可提高RS的起始糊化温度,降低回复值及崩解值。动态流变学实验表明,添加两种不同分子量段SSDF均可显著降低RS的储能模量值。静态流变学实验表明,添加HSSDF可使RS的稠度系数K升高,混合体系具有更高的黏度。加入两种不同分子量段的SSDF均可使混合体系流体指数n值降低,触变环面积减少,体系更加稳定。研究表明不同分子量段SSDF对RS复合体系糊化及流变学特性有显著影响,且HSSDF对大米淀粉的作用更为显著。本论文可为大豆膳食纤维在大米制品中的应用提供一定的理论基础。 相似文献
6.
Milo Hricovíni Raymond J. Owens Andrzej Bak Violetta Kozik Witold Musia Roberta Pierattelli Magdalna Mjekov Yoel Rodríguez Robert Musio Aneta Slodek Pavel tarha Karina Pitak Dagmara Sota Wioletta Florkiewicz Agnieszka Sobczak-Kupiec Josef Jampílek 《International journal of molecular sciences》2022,23(23)
The knowledge of interactions between different molecules is undoubtedly the driving force of all contemporary biomedical and biological sciences. Chemical biology/biological chemistry has become an important multidisciplinary bridge connecting the perspectives of chemistry and biology to the study of small molecules/peptidomimetics and their interactions in biological systems. Advances in structural biology research, in particular linking atomic structure to molecular properties and cellular context, are essential for the sophisticated design of new medicines that exhibit a high degree of druggability and very importantly, druglikeness. The authors of this contribution are outstanding scientists in the field who provided a brief overview of their work, which is arranged from in silico investigation through the characterization of interactions of compounds with biomolecules to bioactive materials. 相似文献
7.
Irina Lascu Ana Maria Tnase Piotr Jablonski Iulia Chiciudean Maria Irina Preda Sorin Avramescu Knut Irgum Ileana Stoica 《International journal of molecular sciences》2022,23(22)
Polyhydroxyalkanoates (PHA) are promising biodegradable and biocompatible bioplastics, and extensive knowledge of the employed bacterial strain’s metabolic capabilities is necessary in choosing economically feasible production conditions. This study aimed to create an in-depth view of the utilization of Photobacterium ganghwense C2.2 for PHA production by linking a wide array of characterization methods: metabolic pathway annotation from the strain’s complete genome, high-throughput phenotypic tests, and biomass analyses through plate-based assays and flask and bioreactor cultivations. We confirmed, in PHA production conditions, urea catabolization, fatty acid degradation and synthesis, and high pH variation and osmotic stress tolerance. With urea as a nitrogen source, pure and rapeseed-biodiesel crude glycerol were analyzed comparatively as carbon sources for fermentation at 20 °C. Flask cultivations yielded 2.2 g/L and 2 g/L PHA at 120 h, respectively, with molecular weights of 428,629 g/mol and 81,515 g/mol. Bioreactor batch cultivation doubled biomass accumulation (10 g/L and 13.2 g/L) in 48 h, with a PHA productivity of 0.133 g/(L·h) and 0.05 g/(L·h). Thus, phenotypic and genomic analyses determined the successful use of Photobacterium ganghwense C2.2 for PHA production using urea and crude glycerol and 20 g/L NaCl, without pH adjustment, providing the basis for a viable fermentation process. 相似文献
8.
Tommaso Palomba Giusy Tassone Carmine Vacca Matteo Bartalucci Aurora Valeri Cecilia Pozzi Simon Cross Lydia Siragusa Jenny Desantis 《International journal of molecular sciences》2022,23(22)
The field of targeted protein degradation, through the control of the ubiquitin–proteasome system (UPS), is progressing considerably; to exploit this new therapeutic modality, the proteolysis targeting chimera (PROTAC) technology was born. The opportunity to use PROTACs engaging of new E3 ligases that can hijack and control the UPS system could greatly extend the applicability of degrading molecules. To this end, here we show a potential application of the ELIOT (E3 LIgase pocketOme navigaTor) platform, previously published by this group, for a scaffold-repurposing strategy to identify new ligands for a novel E3 ligase, such as TRIM33. Starting from ELIOT, a case study of the cross-relationship using GRID Molecular Interaction Field (MIF) similarities between TRIM24 and TRIM33 binding sites was selected. Based on the assumption that similar pockets could bind similar ligands and considering that TRIM24 has 12 known co-crystalised ligands, we applied a scaffold-repurposing strategy for the identification of TRIM33 ligands exploiting the scaffold of TRIM24 ligands. We performed a deeper computational analysis to identify pocket similarities and differences, followed by docking and water analysis; selected ligands were synthesised and subsequently tested against TRIM33 via HTRF binding assay, and we obtained the first-ever X-ray crystallographic complexes of TRIM33α with three of the selected compounds. 相似文献
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