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排序方式: 共有117条查询结果,搜索用时 15 毫秒
111.
Pegah Farokhian Manouchehr Mamaghani Nosrat Ollah Mahmoodi Khalil Tabatabaeian 《Journal of the Iranian Chemical Society》2018,15(1):11-16
An efficient and practical protocol was developed for the synthesis of novel pyrano[2,3-c]pyrazoles and bis-pyrano[2,3-c]pyrazoles by one-pot four-component reaction of arylaldehyde, ethyl acetoacetate, hydrazine hydrate and dimethyl malonate using SO3H-functionalized ionic liquid [DMBSI]HSO4 as a potential green catalyst under solvent-free condition. The method presented is mild, environmentally friendly, inexpensive and functionality tolerant and produces the desired pyranopyrazoles in short reaction times (17–24 min) and excellent yields (85–95%). In addition, the catalyst can be reused at least ten times without almost any change in its catalytic activity. 相似文献
112.
Quantum Mechanics/Molecular Mechanics Study on the Oxygen Binding and Substrate Hydroxylation Step in AlkB Repair Enzymes 下载免费PDF全文
Matthew G. Quesne Dr. Reza Latifi Luis E. Gonzalez‐Ovalle Dr. Devesh Kumar Dr. Sam P. de Visser 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(2):435-446
AlkB repair enzymes are important nonheme iron enzymes that catalyse the demethylation of alkylated DNA bases in humans, which is a vital reaction in the body that heals externally damaged DNA bases. Its mechanism is currently controversial and in order to resolve the catalytic mechanism of these enzymes, a quantum mechanics/molecular mechanics (QM/MM) study was performed on the demethylation of the N1‐methyladenine fragment by AlkB repair enzymes. Firstly, the initial modelling identified the oxygen binding site of the enzyme. Secondly, the oxygen activation mechanism was investigated and a novel pathway was found, whereby the catalytically active iron(IV)–oxo intermediate in the catalytic cycle undergoes an initial isomerisation assisted by an Arg residue in the substrate binding pocket, which then brings the oxo group in close contact with the methyl group of the alkylated DNA base. This enables a subsequent rate‐determining hydrogen‐atom abstraction on competitive σ‐ and π‐pathways on a quintet spin‐state surface. These findings give evidence of different locations of the oxygen and substrate binding channels in the enzyme and the origin of the separation of the oxygen‐bound intermediates in the catalytic cycle from substrate. Our studies are compared with small model complexes and the effect of protein and environment on the kinetics and mechanism is explained. 相似文献
113.
Manouchehr Mamaghani Khalil TabatabaeianAli Ghanadzadeh Fatemeh Habibi 《Tetrahedron letters》2003,44(25):4775-4777
Pig's liver esterase (PLE) was used efficiently in phosphate buffer for the separation of stereoisomeric mixtures of cis/trans-ethyl arylglycidates, produced via Darzen's condensation reactions. 相似文献
114.
Dr. Reza Latifi Mala A. Sainna Prof. Elena V. Rybak‐Akimova Dr. Sam P. de Visser 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(12):4058-4068
Iron(IV)–oxo intermediates are involved in oxidations catalyzed by heme and nonheme iron enzymes, including the cytochromes P450. At the distal site of the heme in P450 Compound I (FeIV–oxo bound to porphyrin radical), the oxo group is involved in several hydrogen‐bonding interactions with the protein, but their role in catalysis is currently unknown. In this work, we investigate the effects of hydrogen bonding on the reactivity of high‐valent metal–oxo moiety in a nonheme iron biomimetic model complex with trigonal bipyramidal symmetry that has three hydrogen‐bond donors directed toward a metal(IV)–oxo group. We show these interactions lower the oxidative power of the oxidant in reactions with dehydroanthracene and cyclohexadiene dramatically as they decrease the strength of the O? H bond (BDEOH) in the resulting metal(III)–hydroxo complex. Furthermore, the distal hydrogen‐bonding effects cause stereochemical repulsions with the approaching substrate and force a sideways attack rather than a more favorable attack from the top. The calculations, therefore, give important new insights into distal hydrogen bonding, and show that in biomimetic, and, by extension, enzymatic systems, the hydrogen bond may be important for proton‐relay mechanisms involved in the formation of the metal–oxo intermediates, but the enzyme pays the price for this by reduced hydrogen atom abstraction ability of the intermediate. Indeed, in nonheme iron enzymes, where no proton relay takes place, there generally is no donating hydrogen bond to the iron(IV)–oxo moiety. 相似文献
115.
Moghaddam AB Ganjali MR Dinarvand R Latifi M Norouzi P 《Chemical & pharmaceutical bulletin》2008,56(6):749-752
Novel fluorescent molecules were synthesized by designing an environmentally friendly method involving the bulk electrolysis technique. This electrochemical treatment process helps protect the environment by minimizing the toxic waste component of effluent. The electrochemical oxidation of 3,6-dihydroxybenzene-1,2-dinitrile (DBD) in the presence of benzenesulfinic acids was studied in an aqueous solution (H(2)O : AN, 90 : 10), which included an acetate buffer (pH=5.0). This research utilized a variety of experimental techniques, including cyclic voltammetry, controlled-potential electrolysis as well as spectroscopic identification of compounds produced as products. In addition, our fluorescent studies offered results in line with existing findings. At the wavelength of 205 nm, DBD and compound (6) were excited and their fluorescent emissions were monitored. 相似文献
116.
We give a characterization of bicomplex-holomorphic anti-Hermitian manifolds by using pure metric connection 相似文献
117.
Manouchehr Zaker 《Discrete Mathematics》2011,(14):1365
In this paper we discuss the existence of lower bounds for the chromatic number of graphs in terms of the average degree or the coloring number of graphs. We obtain a lower bound for the chromatic number of K1,t-free graphs in terms of the maximum degree and show that the bound is tight. For any tree T, we obtain a lower bound for the chromatic number of any K2,t-free and T-free graph in terms of its average degree. This answers affirmatively a modified version of Problem 4.3 in [T.R. Jensen, B. Toft, Graph Coloring Problems, Wiley, New York, 1995]. More generally, we discuss δ-bounded families of graphs and then we obtain a necessary and sufficient condition for a family of graphs to be a δ-bounded family in terms of its induced bipartite Turán number. Our last bound is in terms of forbidden induced even cycles in graphs; it extends a result in [S.E. Markossian, G.S. Gasparian, B.A. Reed, β-perfect graphs, J. Combin. Theory Ser. B 67 (1996) 1–11]. 相似文献