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71.
Measurements of slow, singly charged fragments in the target rapidity region have been performed for proton and pion induced reactions with various nuclei at 200 GeV/c. Multiplicity, angular and energy distributions are examined and used to study the effects of rescattering in the nuclear medium. Data are compared to a geometric cascade model and to simulations with the VENUS 3.11 and the FRITIOF 1.7 Monte Carlo codes.  相似文献   
72.

The EGFR kinase pathway is one of the most frequently activated signaling pathways in human cancers. EGFR and HER2 are the two significant members of this pathway, which are attractive drug targets of clinical relevance in lung and breast cancer. Therefore, identifying EGFR- and HER2-specific inhibitors is one of the important challenges in cancer drug discovery. To address this issue, a dataset of 519 compounds having inhibitory activity against both the isoforms, i.e., EGFR and HER2, was collected from the literature and developed a knowledge-based computational classification model for predicting the specificity of a molecule for an isoform (EGFR/HER2) with precision. A total of seventy-two classification models using nine fingerprint types, four classifiers (IBK, NB, SMO and RF) and two different datasets (EGFR and HER2 isoform specific) were developed. It was observed that the models developed using random forest and IBK performed better for EGFR- and HER2-specific datasets, respectively. Scaffold and functional group analysis led to the identification of prevalent core and fragments in each of the datasets. The accuracy of the selected best performing models was also evaluated using the decoy dataset. We have also developed an application EGFRisopred, which integrates the best performing models and permits the user to predict the specificity of a compound as an EGFR-/HER2-specific anticancer agent. It is expected that the tool’s availability as a free utility will allow researchers to identify new inhibitors against these targets important in cancer.

Graphic abstract
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73.
A Moody  S Setford  S Saini 《The Analyst》2001,126(10):1733-1739
For desirable environmental reasons, peroxides have replaced halogenated substances for disinfection purposes in the food and beverage industry. However, cost issues and the requirement to remove these agents completely after disinfection necessitate simple, low-cost and sensitive test methods with a wide dynamic range and on-line capability. The development and performance of such a method is detailed here. Low-cost peroxide sensors were fabricated using a single deposition procedure, in which horseradish peroxidase enzyme and dimethylferrocene mediator were entrapped within a cellulose acetate membrane, over the working electrode area of a screen-printed three-electrode assembly. Optimum performance was obtained using HRP and DMFc loadings of 25 U and 0.03 micromol per electrode, respectively, and a mean cellulose acetate molecular weight of 37,000. The device had a detection limit of 49.5 microM hydrogen peroxide and mean RSD values of 21% across the concentration range 49.5-368 microM. In laboratory studies the sensor was shown to have a stability of > or = 4 d in continuous flow-mode maintaining an accuracy of +/- 16% that was considered acceptable for the intended on-line monitoring of the disinfection process. In a field study, it was successfully used on-line within a flow-cell to measure peroxide levels during disinfection of an industrial fermentation vessel.  相似文献   
74.
Main observation and conclusion Lithocarpins E-G,featuring a rare naturally-occurring highly oxygenated tenellone-macrolide skeleton,were isolated from the cul-...  相似文献   
75.
Anil Saini Suresh 《合成通讯》2013,43(21):3655-3661
α-Amino nitriles are synthesized in a one-pot, three-component coupling of aldehydes, amines, and trimethylsilyl cyanide using a catalytic amount of LiBr at ambient temperature.  相似文献   
76.
A simple and efficient synthesis of novel pyrimidine-substituted alkanoate, acetohydrazide, and imines is described. The synthesis of novel ethyl 2-(2,6-dimethylpyrimidin-4-yloxy)acetate (EDMPyA) 2 was performed through SN2 O-alkylation of 2,6-dimethyl-4-hydroxypyrimidine 1 with ethyl haloacetate. The compound EDMPyA 2 was subjected to nucleophilic substitution reaction with hydrazine hydrate to afford novel 2-(2,6-dimethylpyrimidin-4-yloxy)acetohydrazide (DMPyAH) 3. This DMPyAH 3 upon condensation with differently substituted carbonyl compounds (aldehydes/ketones) furnished DMPyAH imines (DMPyAH-I) 4a–d. These imines can be used for the preparation of unique β-lactams. The structure elucidation of all the newly synthesized compounds was performed using spectroscopy (FT-IR, 1H and 13C NMR) and elemental analysis (C, H, N).  相似文献   
77.
78.
Anil Saini  Sanjay Kumar 《合成通讯》2013,43(14):2317-2324
A novel metal‐salt‐oxidant‐free, efficient, and economical method for the oxidation of Hantzsch 1,4‐dihydropyridines that uses aerial oxygen and solvent‐grade dimethylsulfoxide is described. Also, the synthesis of pyrido[2,3‐d]pyrimidines is achieved from in situ oxidation of dihydropyrido[2,3‐d]pyrimidines that arise from the reaction of 6‐aminouracils and cyano olefins in dimethylsulfoxide.  相似文献   
79.
Asphalt materials are used in a variety of applications such as road paving, waterproofing, roofing membranes, adhesive binders, rust proofing and water resistant coatings. There are available in a number of grades distinguished in terms of their softening point and flow resistance. The selection of the proper grade of asphalt for a particular application is governed by the desired flow behaviour. A knowledge of the complete flow curve depicting the variation of melt viscosity with shear rate at the relevant temperatures is necessary not only for proper grade selection, but also for specifying processing conditions for aggregate mixing and spraying. The rheological data are also useful in assessing end use performance. The scientific techniques for generating the rheological data involve the use of expensive, sophisticated instruments. Generation of the necessary flow data using these instruments is beyond the financial and technical means of most processors of asphalt materials. The engineering techniques involving the use of inexpensive vacuum viscometers are relatively easy, but provide a single point viscosity measurement at low shear rate. In the present work, a method is proposed for unifying the viscosity versus shear rate a data at various temperatures for a number of asphalt grades. A master curve has been generated that is independent of the grade of asphalt and the temperature of viscosity measurement. The master curve can be used to generate rheograms at desired temperatures for the asphalt grade of interest, knowing its zero-shear viscosity at that temperature.NCL Communication Number 2914.  相似文献   
80.
The syntheses, physical characterization and crystal structures of two new molecular copper(II) complexes of composition [Cu(C5H5N)2(C7F5O2)2] (1) and [Cu(C5H5N)2(C7F5O2)2(H2O)] (2) (C5H5N = py = pyridine and C7F5O2 = pfb = pentafluorobenzoate) are reported. Single-crystal X-ray structure determinations revealed that in 1, the Cu2+ ion, which lies on a crystallographic inversion centre, is coordinated to two py molecules and two oxygen atoms from two monodentate pfb anions, resulting in a trans-CuN2O2 square planar geometry. In 2, the Cu2+ ion is also coordinated to two py and two pfb species in addition to a water molecule in the apical site of a distorted CuN2O3 square pyramid. In the crystal packing, both 1 and 2 show segregated aromatic π-π stacking interactions in which (py + py) and (pfb + pfb) ring-pairings are seen, but no (py + pfb) pairings occur. Crystal data: 1: C24H10CuF10N2O4, Mr = 643.88, space group , a = 8.0777 (3) Å, b = 8.0937 (3) Å, c = 10.5045 (5) Å, α = 90.916 (3)°, β = 93.189 (2)°, γ = 118.245 (3)°, V = 603.36 (4) Å3, Z = 1. 2: C24H12CuF10N2O5, Mr = 661.90, space group , a = 7.5913 (5) Å, b = 15.6517 (6) Å, c = 21.1820 (14) Å, α = 95.697 (4)°, β = 94.506 (2)°, γ = 91.492 (4)°, V = 2495.2 (3) Å3, Z = 4.  相似文献   
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