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51.
Dr. Raysa Khan Tareque Dr. Storm Hassell-Hart Dr. Tobias Krojer Dr. Anthony Bradley Dr. Srikannathasan Velupillai Dr. Romain Talon Dr. Michael Fairhead Dr. Iain J. Day Kamlesh Bala Dr. Robert Felix Dr. Paul D. Kemmitt Prof. Paul Brennan Prof. Frank von Delft Dr. Laura Díaz Sáez Prof. Kilian Huber Prof. John Spencer 《ChemMedChem》2020,15(24):2513-2520
Combined photochemical arylation, “nuisance effect” (SNAr) reaction sequences have been employed in the design of small arrays for immediate deployment in medium-throughput X-ray protein–ligand structure determination. Reactions were deliberately allowed to run “out of control” in terms of selectivity; for example the ortho-arylation of 2-phenylpyridine gave five products resulting from mono- and bisarylations combined with SNAr processes. As a result, a number of crystallographic hits against NUDT7, a key peroxisomal CoA ester hydrolase, have been identified. 相似文献
52.
Effect of Silicon Substitution on the Sintering and Microstructure of Hydroxyapatite 总被引:3,自引:0,他引:3
Iain R. Gibson Serena M. Best William Bonfield 《Journal of the American Ceramic Society》2002,85(11):2771-2777
The substitution of between 0 and 1.6 wt% silicon (Si-HA) in hydroxyapatite (HA) inhibited densification at low temperatures (1000°–1150°C), with these effects being more significant as the level of silicon substitution was increased. For higher sintering temperatures (1200°–1300°C), the sintered densities of HA and Si-HA compositions were comparable. Examination of the ceramic microstructures by scanning electron microscopy (SEM) showed that silicon substitution also inhibited grain growth at higher sintering temperatures (1200°–1300°C). The negative effect of silicon substitution on the sintering of HA at low temperatures (1000°–1150°C) was reflected in the hardness values of the ceramics. However, for higher sintering temperatures, e.g., 1300°C, where sintered densities were comparable, the hardness values of Si-HA compositions were equal to or greater than that of HA, reflecting the smaller grain sizes observed for the former. 相似文献
53.
Distribution of Norditerpene Alkaloids in Tall Larkspur Plant Parts Through the Growing Season 总被引:1,自引:0,他引:1
Previous research showed that toxic and total alkaloid pools in tall larkspur (Delphinium barbeyi) increased during early growth, then declined precipitously during the late flower and pod stage of growth. The objective of this study was to measure the concentration and pools of toxic and total alkaloids in tall larkspur plant parts, including roots, and to evaluate the changes in these pools over the growing season as an estimate of diterpenoid alkaloid kinetics in tall larkspur. Twenty entire plants were harvested at each phenological stage: beginning of growth in the spring, early flower, early pod, late pod, and senescence. The plants were separated into their respective parts, freeze-dried, extracted, and analyzed for toxic and total alkaloid concentration, and alkaloid pools were calculated. Concentration of toxic and total alkaloids in leaves and stems declined as the plants matured, while concentration in flowers and pods increased (P < 0.004). Concentration of alkaloids in the root declined in the early growth, then increased at the end of the season (P = 0.002). Alkaloid pools in the root decreased during early growth, with a corresponding increase of pools in foliar parts. In the late flower and pod stage, alkaloid pools in the leaves and stems declined rapidly, while the pool in the crown and roots tended to increase. 相似文献
54.
A relationship between the integrated fluxes into and out of a membrane following a positive or negative step change in feed concentration was derived. This analysis allows adsorption isotherms in the transport pathways through membranes to be determined from transient permeation responses to step concentration changes in the feed without measuring the retentate response. For Fickian diffusion through a membrane with Langmuir adsorption and zero coverage at the permeate boundary, the difference between the time-integrated flux into and flux out of the membrane is shown to be three times the time-integrated difference between the steady-state flux and the flux out. For Maxwell-Stefan diffusion, this ratio of integrated flux differences is 3 at low coverages and decreases towards 2 at saturation coverage. Mass transfer resistance at the permeate boundary increases the Fickian ratio above 3, and the ratio increases with decreasing Sherwood number. The ratio of integrated flux differences is shown to be identical to the steady-state replenishment time divided by the time lag. Thus, the ratio can be calculated directly from the steady-state concentration profile and the concentration-dependent diffusion coefficient. Surface diffusion through zeolite membranes was analyzed to demonstrate the calculation of the flux relationship for specific adsorption and diffusion models, but the method developed can be applied to membrane permeation in general. 相似文献
55.
McFadyen Iain J.; Metzger Thomas G.; Paterlini M.Germana; Ferguson David M. 《Protein engineering, design & selection : PEDS》2001,14(12):953-960
Previous studies have probed the structural basis of ligandselectivity in the mu, delta and kappa opioid receptors throughthe application of molecular modeling techniques in concertwith the `messageaddress' concept. Here, this approachwas used in an attempt to rationalize the unique pharmacologicalprofile of a recently cloned novel opioid receptor, ZFOR1 (ZebraFishOpioid Receptor 1). Specifically, a model of the transmembranedomains of ZFOR1 was constructed and used to explore the bindingmodes of various prototypical opioid ligands. The results showthat the `message' portion of the binding pocket of ZFOR1 ishighly conserved; hence, the binding modes of non-selectiveopioid ligands are well preserved. In contrast, a small numberof variant residues at the extracellular end of the bindingpocket, particularly Lys288 (VI:26) and Trp304 (VII:03), areshown to create adverse steric interactions with all delta andkappa selective ligands examined, thereby disrupting their bindingmodes. These results are consistent with, and serve as an explanationfor, the observed pharmacology of this receptor, lending supportto both the validity of the `messageaddress' conceptitself and to the use of molecular modeling approaches in itsapplication. 相似文献
56.
J. L. Gardner 《Color research and application》2013,38(4):251-258
Measurement uncertainties are propagated through the matrix calibration of a tristimulus colorimeter. It is shown that reference spectral uncertainties and the colorimeter signal uncertainties during calibration are simply scaled and combined in an applied measurement. Modeling shows that transforming x, y chromaticity and Y luminance can lead to lower chromaticity uncertainties than transforming X, Y, Z tristimulus signals themselves. Accuracy depends on the set of colours used for calibration, especially for measurements of displays. Uncertainties can be large and dominate errors due to accuracy of spectral matching to the CIE colour‐matching functions. This is particularly true if commision international de L'Eclariage (CIE) Lab values are to be derived. © 2012 Wiley Periodicals, Inc. Col Res Appl, 38, 251–258, 2013 相似文献
57.
Tracy Q. Gardner Ana I. Flores Richard D. Noble John L. Falconer 《American Institute of Chemical Engineers》2002,48(6):1155-1167
A transient permeation method presented here not only determines the adsorption and diffusion properties of the pores that are the transport pathways through zeolite membranes, but nondestructively estimates the effective thickness of the membrane. Transient responses of the permeate concentration to step changes in the feed were measured on two H-ZSM-5 tubular membranes and modeled assuming Maxwell-Stefan diffusion and Langmuir adsorption. The adsorption isotherms determined from these transient measurements at 298 K of N2 and CO2 were nearly identical to those measured by calorimetry on H-ZSM-5 powders. The CH4 isotherm at 298 K was similar to isotherms measured by calorimetry and gravimetric techniques on Na-ZSM-5 and silicalite powders. The similarity of the isotherms indicates that transport of these light gases occurs mainly through zeolite pores. The Maxwell-Stefan diffusion coefficients DMS depended on concentration and were higher for higher feed partial pressures. Average DMS values for the two membranes were 7.5, 5 and 1.5×10−10 m2/s for N2, CH4, and CO2, respectively; these are in the same range and order as diffusion coefficients measured in zeolite crystals. 相似文献
58.
A Functional Explanation for Patterns of Norditerpenoid Alkaloid Levels in Tall Larkspur (Delphinium barbeyi) 总被引:1,自引:0,他引:1
Concentrations of norditerpenoid alkaloids vary among larkspur (Delphinium) species, locations, and years, but environmental stresses seem to have little effect on alkaloid levels. There is a need for a functional hypothesis of alkaloid synthesis and metabolism to explain the observed trends in concentration and to predict the toxicity of larkspur populations. This study was replicated at two locations over two years in the mountains of central Utah. Ten tall larkspur (D. barbeyi) plants were marked at each location, and a single stalk was harvested from each plant at weekly intervals throughout the growing season. Concentrations of toxic and total alkaloids were measured by Fourier-transformed infrared spectroscopy (FTIR), and alkaloid pools were calculated by multiplying the alkaloid concentration by the dry weight of the plant to determine the amount of alkaloids in the stalk. Alkaloid pools in the stalks increased for the first three weeks, leveled off, and then declined to low levels as the plants began to senesce. Concentrations of alkaloids declined through the season, as the alkaloids were diluted in the increasing biomass as the plants grew. These patterns will be used to predict potential toxicity of larkspur populations. 相似文献
59.
Hepatic and Adipose Tissue Depot-Specific Changes in Lipid Metabolism in Late-Onset Obese (LOB) Rats
Transgenic Late-onset OBesity (LOB) rats slowly develop a male-specific, autosomal dominant, obesity phenotype with a specific
increase in peri-renal white adipose tissue (WAT) depot and preserved insulin sensitivity (Bains et al. in Endocrinology 145:2666–2679,
2004). To better understand the remarkable phenotype of these rats, the lipid metabolism was investigated in male LOB and non-transgenic
(NT) littermates. Total plasma cholesterol (C) levels were normal but total plasma triacylglycerol (TAG) (2.8-fold) and hepatic
TAG content (25%) was elevated in LOB males. Plasma VLDL-C and VLDL-TAG levels were higher while plasma apoB levels were 60%
lower in LOB males. Increased hepatic TAG secretion explained the increased VLDL levels in LOB males. The hepatic gene expression
of FAS, SCD-1, mitochondrial (mt)GPAT, and DGAT2 was up-regulated in both old obese and young non-obese LOB rats. Lipoprotein
lipase (LPL) activity in heart and epididymal white adipose tissue (WAT) was unchanged, while LPL activity was increased in
peri-renal WAT (30%) and decreased in soleus muscle (40%). Moreover, FAS, SCD-1 and DGAT2 gene expression was increased in
peri-renal, but not in epididymal WAT. Basal lipolysis was reduced or unchanged and β-adrenergic stimulated lipolysis was
reduced in WAT from both old obese and young non-obese LOB rats. To summarize, the obese phenotype of LOB male rats is associated
with increased hepatic TAG production and secretion, a shift in LPL activity from skeletal muscle to WAT, reduced lipolytic
response in WAT depots and a specific increase in expression of genes responsible for fatty acid and TAG synthesis in the
peri-renal depot.
F. Frick and R. Hume contributed equally to this work. 相似文献
60.
Ryan H. Mills William T. Y. Tze Douglas J. Gardner Adriaan van Heiningen 《应用聚合物科学杂志》2008,109(6):3519-3524
Sheet molding compound is a material composed of a polyester thermosetting matrix with a thermoplastic, an inorganic filler, a metal oxide, reinforcement fibers, and material performance enhancers embedded in the crosslinked matrix. To achieve the optimum mechanical properties required for the composite material, the surface free energy of the polyester composite needs to be understood. In this study, the composite matrix and glass reinforcement fibers are compared with respect to their surface free energy and acid–base characteristics on the basis of inverse gas chromatography measurements. The inverse gas chromatography results for the matrix and glass are compared to previous results found for sized and unsized cellulosic fibers. The inverse gas chromatography data are used to assess chemical modifications performed on the biobased fibers to predict improvements in the fiber/matrix interaction, and this provides inferences on the overall composite cohesion. Our results show first that any fiber reinforcement system for the polyester composite material has to be acidic to promote good adhesion as the matrix system is very basic and second that the individual dispersive surface energies of the components of the matrix interact in a weighted average to determine the overall surface energy of the composite. Also, a commercial glass reinforcement sized for polyester has been found to have a lower interaction parameter than literature values for cellulosic fibers. This finding suggests that cellulosic fibers might have an advantage in competing with a conventional glass‐fiber reinforcement system in fiber/matrix bonding for sheet molding compound composites. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008 相似文献