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George M. Burslem Hannah F. Kyle Dr. Alexander L. Breeze Dr. Thomas A. Edwards Prof. Adam Nelson Dr. Stuart L. Warriner Prof. Andrew J. Wilson 《Chembiochem : a European journal of chemical biology》2014,15(8):1083-1087
The therapeutically relevant hypoxia inducible factor HIF‐1α–p300 protein–protein interaction can be orthosterically inhibited with α‐helix mimetics based on an oligoamide scaffold that recapitulates essential features of the C‐terminal helix of the HIF‐1α C‐TAD (C‐terminal transactivation domain). Preliminary SAR studies demonstrated the important role of side‐chain size and hydrophobicity/hydrophilicity in determining potency. These small molecules represent the first biophysically characterised HIF‐1α–p300 PPI inhibitors and the first examples of small‐molecule aromatic oligoamide helix mimetics to be shown to have a selective binding profile. Although the compounds were less potent than HIF‐1α, the result is still remarkable in that the mimetic reproduces only three residues from the 42‐residue HIF‐1α C‐TAD from which it is derived. 相似文献
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One Question,Multiple Answers: Biochemical and Biophysical Screening Methods Retrieve Deviating Fragment Hit Lists 下载免费PDF全文
Dr. Johannes Schiebel Nedyalka Radeva Dr. Helene Köster Dr. Alexander Metz Timo Krotzky Dr. Maren Kuhnert Prof. Wibke E. Diederich Prof. Andreas Heine Dr. Lars Neumann Dr. Cedric Atmanene Dominique Roecklin Dr. Valérie Vivat‐Hannah Dr. Jean‐Paul Renaud Dr. Robert Meinecke Dr. Nina Schlinck Dr. Astrid Sitte Franziska Popp Dr. Markus Zeeb Prof. Gerhard Klebe 《ChemMedChem》2015,10(9):1511-1521
Fragment‐based lead discovery is gaining momentum in drug development. Typically, a hierarchical cascade of several screening techniques is consulted to identify fragment hits which are then analyzed by crystallography. Because crystal structures with bound fragments are essential for the subsequent hit‐to‐lead‐to‐drug optimization, the screening process should distinguish reliably between binders and non‐binders. We therefore investigated whether different screening methods would reveal similar collections of putative binders. First we used a biochemical assay to identify fragments that bind to endothiapepsin, a surrogate for disease‐relevant aspartic proteases. In a comprehensive screening approach, we then evaluated our 361‐entry library by using a reporter‐displacement assay, saturation‐transfer difference NMR, native mass spectrometry, thermophoresis, and a thermal shift assay. While the combined results of these screening methods retrieve 10 of the 11 crystal structures originally predicted by the biochemical assay, the mutual overlap of individual hit lists is surprisingly low, highlighting that each technique operates on different biophysical principles and conditions. 相似文献
104.
Jiří Čulík Marie Jurková Tomáš Horák Pavel Čejka Vladimír Kellner Josef Dvořák Pavel Karásek Michal Roth 《Journal of the Institute of Brewing》2009,115(3):220-225
The EBC method 7.7, currently used for determination of bitter acids in hop products, is a time‐consuming and laborious extraction technique. In this paper, our aim was to propose a new extraction method based on Pressurized Solvent Extraction (PSE) sometimes also called Pressurized Fluid Extraction (PFE) or Accelerated Solvent Extraction (ASE). Compared to conventional extractions, PSE offers a number of important benefits. PSE on OnePSE® automated extractor was used for extraction of α‐ and β‐acids from hops and hop products and the parameters influencing extraction efficiency and the influence of the sample preparation method were studied. The quantitative determination of α‐ and β‐acids in the extracts was accomplished by using an HPLC apparatus equipped with diode array detector. The experimental results were compared with those obtained by the standard EBC 7.7 method and the two methods were found to be fully compatible 相似文献
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The analysis of almost 200 Scottish Sphagnum moss samples collected over the past 170 years has revealed trends in the isotopic composition of lead similar to those previously established for dated Scottish lake sediments and peat bogs, lending credibility to these proxy records of atmospheric lead contamination and deposition. The effect of temporal variations in contributions from sources such as smelting of indigenous lead ores (206Pb/207Pb approximately 1.16-1.18), coal combustion (206Pb/207Pb approximately 1.17-1.19), and the use of imported Australian lead (206Pb/207Pb approximately 1.04) was clearly seen in the Scottish moss 206Pb/207Pb record. This showed some differences from the corresponding archival herbage record for the south of England, where the initial influence of Australian lead occurred earlier, at the end of the 19th century. A significant decline from a 206Pb/ 207Pb value of approximately 1.17 in the Scottish moss record began in the 1920s and continued until the 1980s (206Pb/207Pb approximately 1.12). The success of measures to reduce lead emissions to the atmosphere over the past 20 years in the U.K., in particular from petrol-engined vehicles using alkyl lead additives manufactured primarily from Australian lead, is evident in both the increasing 206Pb/207Pb ratio and falling lead concentration data for Scottish moss. 相似文献
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Partition coefficients of phenol, salicylic acid, and several environmentally important chloro- and nitrophenols in a supercritical CO2-water system were measured using direct cocurrent extraction of aqueous solutions of the individual solutes with CO2. Partitioning data on the nitrophenols and salicylic acid were obtained for the first time. To bypass the troublesome and error-prone analysis of the CO2-rich phase, the present method employed only the solute concentrations in the aqueous phase before and after extraction to determine the partition coefficient. Unlike most previous engineering studies of phenol partitioning in a CO2-water system, the concentrations of phenolic solutes approached infinite dilution in both phases. This makes the results relevant to analytical-scale SFE of environmental water samples with CO2. Because of effective infinite dilution of the solutes, the partition coefficients provide a direct measure of relative CO2-philicity/hydrophilicity of the individual phenols. Compared to the octanol-water partition coefficients of substituted phenols, the CO2-water partition coefficients are more sensitive to substitution in the position neighboring the hydroxyl group. 相似文献
110.
Depth profiles of deuterium up to a depth of 10 μm have been measured using the D(3He,p)4He nuclear reaction in a resonance-like technique after exposure of sintered boron carbide, B4C, at elevated temperatures to a low energy (≈200 eV/D) and high ion flux (≈1021 m−2 s−1) D plasma. The proton yield was measured as a function of incident 3He energy and the D depth profile was obtained by deconvolution of the measured proton yields using the program SIMNRA. D atoms diffuse into the bulk at temperatures above 553 K, and accumulate up to a maximum concentration of about 0.2 at.%. At high fluences (?1024 D/m2), the accumulation in the bulk plays a major role in the D retention. With increasing exposure temperature, the amount of D retained in B4C increases and exceeds a value of 2 × 1021 D/m2 at 923 K. The deuterium diffusivity in the sintered boron carbide is estimated to be D = 2.6 × 10−6exp{−(107 ± 10) kJ mol−1/RT} m2 s−1. 相似文献