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1.
Wireless Personal Communications - Wireless sensor network is gaining popularity due to its large-scale deployment in Internet of Things. The constraints of resources influence the protocol design... 相似文献
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Mathew J. Jones Dr. Alice Dawson Prof. Tim G. Hales Prof. William N. Hunter 《Chembiochem : a European journal of chemical biology》2020,21(10):1526-1533
Bicuculline, a valued chemical tool in neurosciences research, is a competitive antagonist of specific GABAA receptors and affects other pentameric ligand-gated ion channels including the glycine, nicotinic acetylcholine and 5-hydroxytryptamine type 3 receptors. We used a fluorescence-quenching assay and isothermal titration calorimetry to record low-micromolar dissociation constants for N-methylbicuculline interacting with acetylcholine-binding protein and an engineered version called glycine-binding protein (GBP), which provides a surrogate for the heteromeric interface of the extracellular domain of the glycine receptor (GlyR). The 2.4 Å resolution crystal structure of the GBP:N-methylbicuculline complex, sequence and structural alignments reveal similarities and differences between GlyR and the GABAA receptor–bicuculline interactions. N-methylbicuculline displays a similar conformation in different structures, but adopts distinct orientations enforced by interactions and steric blocks with key residues and plasticity in the binding sites. These features explain the promiscuous activity of bicuculline against the principal inhibitory pentameric ligand-gated ion channels in the CNS. 相似文献
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Dr. Naseer Maliyakkal Bo Hyun Eom Jeong Hyun Heo Dr. Mohammad Ali Abdullah Almoyad Dr. Della Grace Thomas Parambi Dr. Nicola Gambacorta Prof. Orazio Nicolotti Dr. Asmy Appadath Beeran Prof. Hoon Kim Dr. Bijo Mathew 《ChemMedChem》2020,15(17):1629-1633
The general blueprint for the design of monoamine oxidase-B (MAO-B) inhibitors has been based on two phenyl or heteronuclei linked via a spacer of appropriate length. In this study, 1-[4-(morpholin-4-yl)phenyl]-5-phenylpenta-2,4-dien-1-one (MO10) was prepared by the condensation of 4′-morpholinoacetophenone and cinnamaldehyde in basic alcoholic medium. MO10 was assessed for inhibitory activity against two human MAO isoforms, MAO-A and MAO-B. Interestingly, MO10 showed a remarkable inhibition against MAO-B with an IC50 value of 0.044 μM along with a selectivity index of 366.13. The IC50 value was better than that of lazabemide (IC50 value of 0.063 μM), which was used as a reference. Kinetics studies revealed that MO10 acted as a competitive inhibitor of MAO-B, with a Ki value of 0.0080 μM. The observation of recovery of MAO-B inhibition, compared to reference levels showed MO10 to be a reversible inhibitor. MTT assays showed that MO10 was nontoxic to normal VERO cells with an IC50 value of 195.44 μg/mL. SwissADME predicted that MO10 provided advantageous pharmacokinetics profiles for developing agents acting on the central nervous system, that is, high passive human gastrointestinal absorption and blood–brain barrier permeability. Molecular docking simulations showed that MO10 properly entered the aromatic cage formed by Y435, Y398, and FAD of the active site of MAO-B. On the basis of these results, MO10 can be considered a promising starting compound in development of agents for the treatment of various neurodegenerative disorders. 相似文献
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Tittu Varghese Mathew Jayamanideep Rebbagondla Sundararajan Natarajan 《International journal for numerical methods in engineering》2020,121(19):4329-4346
Nouy and Clement introduced the stochastic extended finite element method to solve linear elasticity problem defined on random domain. The material properties and boundary conditions were assumed to be deterministic. In this work, we extend this framework to account for multiple independent input uncertainties, namely, material, geometry, and external force uncertainties. The stochastic field is represented using the polynomial chaos expansion. The challenge in numerical integration over multidimensional probabilistic space is addressed using the pseudo-spectral Galerkin method. Thereafter, a sensitivity analysis based on Sobol indices using the derived stochastic extended Finite Element Method solution is presented. The efficiency and accuracy of the proposed novel framework against conventional Monte Carlo methods is elucidated in detail for a few one and two dimensional problems. 相似文献
7.
Mathew Minesh Gomez Lluis Karatzas Dimosthenis Jawahar C. V. 《International Journal on Document Analysis and Recognition》2021,24(3):235-249
International Journal on Document Analysis and Recognition (IJDAR) - This work addresses the problem of Question Answering (QA) on handwritten document collections. Unlike typical QA and Visual... 相似文献
8.
Snehalkumar Parmar Kamal K. Pant Mathew John Kishore Kumar Shivanand M. Pai Shalini Gupta Bharat L. Newalkar 《Journal of Porous Materials》2014,21(5):849-857
Hydroisomerization of n-hexadecane is performed over ZSM-12 framework having tailored Brønsted acidity to investigate the effect in terms of product selectivity and yield. For this purpose, pure phase of ZSM-12 (bulk molar ratio Si/Al ~ 60) has been synthesized using TEABr as a structure directing agent. The framework Brønsted acidity is tailored with group II elements (M) viz. Ca, Ba and Mg, by means of ion-exchange method. The samples so prepared have been characterized for phase purity, textural parameters, morphology by employing powder X-ray diffraction, nitrogen adsorption–desorption isotherm measurement at 77 K, and scanning electron microscopy technique, respectively. Similarly, % metal exchange is estimated using inductively coupled plasma technique. The quantification of Brønsted acidity for H+–M++–ZSM-12 samples has been estimated by means of ammonia temperature programmed desorption (NH3-TPD) and Fourier transform infrared spectroscopy of ammonia (NH3-FTIR). The well characterized H+–M++–ZSM-12 samples were loaded with Platinum (Pt, 0.5 wt%) and subjected to hydroisomerization of n-hexadecane using an up-flow fixed bed reactor to verify the effect of process parameters like temperature and WHSV. Pt/H+–Ba2+–ZSM-12 with tailored Brønsted acidity in the range of about 25 % demonstrated the optimum performance among all the catalysts with an increased isomer selectivity and yield (89.2 and 80.3 %, respectively) by about 4 wt% at a conversion level of about 90 % compared to Pt/H+–ZSM-12 framework at 568 K. Such enhancement in isomer selectivity and yield is found to be significant from commercial application point of view. Based on the obtained trend, the potential benefits of implementation of Pt/H+–Ba2+–ZSM-12 (bulk molar ratio Si/Al ~ 60) framework for cold flow property improvement of ‘bio-ATF’ have been envisaged. 相似文献
9.
A novel series of sulfur-containing dihydrochromeno[8,7-e][1,3]oxazine-2(8H)-thiones has been synthesized through an eco-friendly Mannich-type condensation cyclization reaction of 7-hydroxy-4-methyl-2-thiocoumarin or 6-chloro-7-hydroxy-4-methyl-2-thiocoumarin with formaldehyde and primary amines in water at 80–90°C for 2 h. All the synthesized compounds were screened for their in vitro anti-bacterial efficacy against two Gram-positive and three Gram-negative bacterial strains by using the disc diffusion method. The compound (8c) was found to be most potent with the zone of inhibition of 16 and 15 mm against Staphylococcus aureus ATCC 2937 and Klebsiella pneumoniae ATCC 31488, respectively. 相似文献
10.
Cover Picture: Tetrahydroisoquinolinone‐Based Steroidomimetic and Chimeric Microtubule Disruptors (ChemMedChem 1/2014) 下载免费PDF全文