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911.
Diffuse color patterning using blended electrochromic polymers for proof‐of‐concept adaptive camouflage plaques 下载免费PDF全文
Robert Brooke Manrico Fabretto Samuel Pering Eliza Switalska Lachlan Reeks Drew Evans Peter Murphy 《应用聚合物科学杂志》2015,132(26)
A study using three different pairs of electrochromic polymers (ECPs) synthesized onto plaques by means of a modified vapor phase polymerization (VPP) technique is presented. Restriction of the respective polymerization times, allowed both faster and slower polymerizing monomers to be controlled, and produced blended plaques with visually diffuse interfaces. The ECPs within the blended plaques retain their individual electrochromic behavior and when encapsulated into an electrochromic device, show outstanding optical switching performance with little degradation evident over 10,000 cycles, coupled with a switching time of the order of 1 second. Blends also allow multiple diffuse color changes within an electrochromic device, due to the difference in oxidation potentials of the individual ECPs, making them candidates for adaptive camouflage use. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 42158. 相似文献
912.
Examination of a Structural Model of Peptidomimicry by Cyclic Acyldepsipeptide Antibiotics in Their Interaction with the ClpP Peptidase 下载免费PDF全文
Dr. Daniel W. Carney Dr. Karl R. Schmitz Anthony C. Scruse Prof. Dr. Robert T. Sauer Prof. Dr. Jason K. Sello 《Chembiochem : a European journal of chemical biology》2015,16(13):1875-1879
The cyclic acyldepsipeptide (ADEP) antibiotics act by binding the ClpP peptidase and dysregulating its activity. Their exocyclic N‐acylphenylalanine is thought to structurally mimic the ClpP‐binding, (I/L)GF tripeptide loop of the peptidase's accessory ATPases. We found that ADEP analogues with exocyclic N‐acyl tripeptides or dipeptides resembling the (I/L)GF motif were weak ClpP activators and had no bioactivity. In contrast, ADEP analogues possessing difluorophenylalanine N‐capped with methyl‐branched acyl groups—like the side chains of residues in the (I/L)GF motifs—were superior to the parent ADEP with respect to both ClpP activation and bioactivity. We contend that the ADEP's N‐acylphenylalanine moiety is not simply a stand‐in for the ATPases' (I/L)GF motif; it likely has physicochemical properties that are better suited for ClpP binding. Further, our finding that the methyl‐branching on the acyl group of the ADEPs improves activity opens new avenues for optimization. 相似文献
913.
Sarah Katharina Gaßmeyer Hiroyuki Yoshikawa Junichi Enoki Nadine Hülsemann Prof. Raphael Stoll Prof. Dr. Kenji Miyamoto Prof. Dr. Robert Kourist 《Chembiochem : a European journal of chemical biology》2015,16(13):1943-1949
Structure‐guided protein engineering achieved a variant of the unique racemase AMDase G74C, with 40‐fold increased activity in the racemisation of several arylaliphatic carboxylic acids. Substrate binding during catalysis was investigated by saturation‐transfer‐difference NMR (STD‐NMR) spectroscopy. All atoms of the substrate showed interactions with the enzyme. STD‐NMR measurements revealed distinct nuclear Overhauser effects in experiments with and without molecular conversion. The spectroscopic analysis led to the identification of several amino acid residues whose substitutions increased the activity of G74C. Single amino acid exchanges increased the activity moderately; structure‐guided saturation mutagenesis yielded a quadruple mutant with a 40 times higher reaction rate. This study presents STD‐NMR as versatile tool for the analysis of enzyme–substrate interactions in catalytically competent systems and for the guidance of protein engineering. 相似文献
914.
915.
916.
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
917.
Synthesis and properties of cross‐linked polymers from epoxidized rubber seed oil and triethylenetetramine 下载免费PDF全文
Muhammad Yusuf Abduh Muhammad Iqbal Francesco Picchioni Robert Manurung Hero J. Heeres 《应用聚合物科学杂志》2015,132(40)
A series of epoxidized oils were prepared from rubber seed, soybean, jatropha, palm, and coconut oils. The epoxy content varied from 0.03 to 7.4 wt %, in accordance with the degree of unsaturation of the oils (lowest for coconut, highest for rubber seed oil). Bulk polymerization/curing of the epoxidized oils with triethylenetetramine (in the absence of a catalyst) was carried out in a batch setup (1 : 1 molar ratio of epoxide to primary amine groups, 100°C, 100 rpm, 30 min) followed by casting of the mixture in a steel mold (180°C, 200 bar, 21 h) and this resulted in cross‐linked resins. The effect of relevant pressing conditions such as time, temperature, pressure, and molar ratio of the epoxide and primary amine groups was investigated and modeled using multivariable nonlinear regression. Good agreement between experimental data and model were obtained. The rubber seed oil‐derived polymer has a Tg of 11.1°C, a tensile strength of 1.72 MPa, and strain at break of 182%. These values are slightly higher than for commercial epoxidized soybean oil (Tg of 6.9°C, tensile strength of 1.11 MPa, and strain at break of 145.7%). However, the comparison highlights the potential for these novel resins to be used at industrial/commercial level. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 42591. 相似文献
918.
Robert F. Cook 《Journal of the American Ceramic Society》2017,100(3):1146-1160
The strength of a polycrystalline alumina containing controlled scratches introduced by translated sharp contacts is investigated and described by a multiscale fracture mechanics model. Inert strength measurements of samples containing quasi‐static and translated Vickers indentation contacts showed that scratches degraded the strength at normal contact loads an order of magnitude less than those for quasi‐static indentation. The fracture mechanics model developed to describe strength degradation by scratches over the full range of contact loads included toughening effects by crack‐wake bridging at the microscale and lateral crack‐based residual stress relaxation effects at the mesoscale. A critical element of the model is the nonlinear scaling of the residual stress field of a scratch with the normal contact load acting during scratch formation. The similarities and differences in the scratch model in comparison with prior indentation‐strength fracture mechanics models are highlighted by parallel development of both. Central to the scratch model is the use of easily controlled normal contact load as the scratch‐strength measurement variable. Scratch length and orientation are shown to have significant effects on strength. The distributions of scratch widths controlling the intrinsic strengths of as‐received samples are determined and agreement with the observed scratch dimensions is demonstrated. 相似文献
919.
Dr. Marie Monestier Peggy Charbonnier Dr. Christelle Gateau Dr. Martine Cuillel Faustine Robert Colette Lebrun Dr. Elisabeth Mintz Prof. Olivier Renaudet Dr. Pascale Delangle 《Chembiochem : a European journal of chemical biology》2016,17(7):590-594
Liver cells are an essential target for drug delivery in many diseases. The hepatocytes express the asialoglycoprotein receptor (ASGPR), which promotes specific uptake by means of N‐acetylgalactosamine (GalNAc) recognition. In this work, we designed two different chemical architectures to treat Wilson's disease by intracellular copper chelation. Two glycoconjugates functionalized with three or four GalNAc units each were shown to enter hepatic cells and chelate copper. Here, we studied two series of compounds derived from these glycoconjugates to find key parameters for the targeting of human hepatocytes. Efficient cellular uptake was demonstrated by flow cytometry using HepG2 human heptic cells that express the human oligomeric ASGPR. Dissociation constants in the nanomolar range showed efficient multivalent interactions with the receptor. Both architectures were therefore concluded to be able to compete with endogeneous asialoglycoproteins and serve as good vehicles for drug delivery in hepatocytes. 相似文献
920.
Solution Structure and Constrained Molecular Dynamics Study of Vitamin B12 Conjugates of the Anorectic Peptide PYY(3–36) 下载免费PDF全文
Dr. Kelly E. Henry Dr. Deborah J. Kerwood Dr. Damian G. Allis Jayme L. Workinger Ron L. Bonaccorso Prof. George G. Holz Prof. Christian L. Roth Prof. Jon Zubieta Prof. Robert P. Doyle 《ChemMedChem》2016,11(9):1015-1021
Vitamin B12–peptide conjugates have considerable therapeutic potential through improved pharmacokinetic and/or pharmacodynamic properties imparted on the peptide upon covalent attachment to vitamin B12 (B12). There remains a lack of structural studies investigating the effects of B12 conjugation on peptide secondary structure. Determining the solution structure of a B12–peptide conjugate or conjugates and measuring functions of the conjugate(s) at the target peptide receptor may offer considerable insight concerning the future design of fully optimized conjugates. This methodology is especially useful in tandem with constrained molecular dynamics (MD) studies, such that predictions may be made about conjugates not yet synthesized. Focusing on two B12 conjugates of the anorectic peptide PYY(3–36), one of which was previously demonstrated to have improved food intake reduction compared with PYY(3–36), we performed NMR structural analyses and used the information to conduct MD simulations. The study provides rare structural insight into vitamin B12 conjugates and validates the fact that B12 can be conjugated to a peptide without markedly affecting peptide secondary structure. 相似文献