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排序方式: 共有331条查询结果,搜索用时 15 毫秒
41.
Jacopo Sgrignani Filomena De Luca Hayarpi Torosyan Jean-Denis Docquier Da Duan Beatrice Novati Fabio Prati Giorgio Colombo Giovanni Grazioso 《Journal of computer-aided molecular design》2016,30(10):851-861
β-Lactamases are bacterial enzymes conferring resistance to β-lactam antibiotics in clinically-relevant pathogens, and represent relevant drug targets. Recently, the identification of new boronic acids (i.e. RPX7009) paved the way to the clinical application of these molecules as potential drugs. Here, we screened in silico a library of ~1400 boronic acids as potential AmpC β-lactamase inhibitors. Six of the most promising candidates were evaluated in biochemical assays leading to the identification of potent inhibitors of clinically-relevant β-lactamases like AmpC, KPC-2 and CTX-M-15. One of the selected compounds showed nanomolar K i value with the clinically-relevant KPC-2 carbapenemase, while another one exhibited broad spectrum inhibition, being also active on Enterobacter AmpC and the OXA-48 class D carbapenemase. 相似文献
42.
Rafael Schiwon Beatrice Braun Ramona Metzinger Christian Limberg 《无机化学与普通化学杂志》2016,642(21):1198-1206
While addition of [Cp2ReH] to [Bi(OtBu)3] leads to an equilibrium containing [Cp2Re‐Bi(OtBu)2], [{Cp2Re}2Bi(OtBu)], tBuOH and [CpRe(μ‐η5,η1‐C5H4)Bi–ReCp2], in the presence of water [{(Cp2Re)2Bi}2O] ( 1 ) is formed selectively. Also [FpH] [Fp = (η5‐C5H5)(CO)2Fe] can be employed as a precursor to form heterometallic bismuth compounds. Synthesis of [FpBi{OCH(CF3)2}2]2 ( 5 ) can be achieved by reaction of [FpH] with [Bi{OCH(CF3)2}3(thf)]2 and carboxylates [FpBi(O2CR)2]2 are generated upon treatment of [FpH] with [Bi(O2CR)3] (R = CH3, tBu). While the compounds [Fp‐Bi(O2CR)2]2 can also be obtained from reactions with Fp‐Fp, they are formed far more readily using [FpH] as the precursor. They typically crystallize as dimers, like the alkoxide 5 . A monomeric compound of the type [Fp‐BiX2] ( 6 ) could be isolated for X = thd (tetramethylheptanedionate), that is, after the reaction of [FpH] with [Bi(thd)3]. Altogether, the results demonstrate the potential of [FpH] as a precursor for [Fp‐BiX2] compounds, which are formed in reactions with bismuth alkoxides, carboxylates and diketonates. 相似文献
43.
Trapping Aluminum Hydroxide Clusters with Trisilanols during Speciation in Aluminum(III)–Water Systems: Reproducible,Large Scale Access to Molecular Aluminate Models 下载免费PDF全文
Dr. Kapil Shyam Lokare Nicolas Frank Dr. Beatrice Braun‐Cula Dr. Itziar Goikoetxea Prof. Dr. Joachim Sauer Prof. Dr. Christian Limberg 《Angewandte Chemie (International ed. in English)》2016,55(40):12325-12329
To gain molecular level insights into the properties of certain functions and units of extended oxides/hydroxides, suitable molecular model compounds are needed. As an attractive route to access such compounds the trapping of early intermediates during the hydrolysis of suitable precursor compounds with the aid of stabilizing ligands is conceivable, which was tested for the aluminum(III)/water system. Indeed, trisilanols proved suitable trapping reagents: their presence during the hydrolysis of AliBu2H in dependence on the amount of water used allowed for the isolation of tri‐ and octanuclear aluminum hydroxide cluster complexes [Al3(μ2‐OH)3(THF)3(PhSi(OSiPh2O)3)2] ( 1 ) and [Al8(μ3‐OH)2(μ2‐OH)10(THF)3(p‐anisylSi(OSiPh2O)3)4] ( 2 ). 1 can be regarded as the Al(OH)3 cyclic trimer, where six protons have been replaced by silyl residues. While 2 features a unique [Al8(μ3‐OH)2(μ2‐OH)10]12+ core. In contrast to most other known aggregates of this type, 1 and 2 can be readily prepared at reasonable scales, dissolve in common solvents, and retain an intact framework even in the presence of excessive amounts of water. This finding paves the way to future research addressing the reactivity of the individual functional groups. 相似文献
44.
Goodrich CP Kirmizialtin S Huyghues-Despointes BM Zhu A Scholtz JM Makarov DE Movileanu L 《The journal of physical chemistry. B》2007,111(13):3332-3335
We used single-channel electrical recordings and Langevin molecular dynamics simulations to explore the electrophoretic translocation of various beta-hairpin peptides across the staphylococcal alpha-hemolysin (alphaHL) protein pore at single-molecule resolution. The beta-hairpin peptides, which varied in their folding properties, corresponded to the C terminal residues of the B1 domain of protein G. The translocation time was strongly dependent on the electric force and was correlated with the folding features of the beta-hairpin peptides. Highly unfolded peptides entered the pore in an extended conformation, resulting in fast single-file translocation events. In contrast, the translocation of the folded beta-hairpin peptides occurred more slowly. In this case, the beta-hairpin peptides traversed the alphaHL pore in a misfolded or fully folded conformation. This study demonstrates that the interaction between a polypeptide and a beta-barrel protein pore is dependent on the folding features of the polypeptide. 相似文献
45.
46.
Eric J. Goethals Wouter Reyntjens Xiaochun Zhang Beatrice Verdonck Ton Loontjens 《Macromolecular Symposia》2000,157(1):93-100
Sequential living cationic polymerization of octadecyl vinyl ether (ODVE) and methyl vinyl ether (MVE) was used for the preparation of amphiphilic ABA‐type block copolymers. The polymerization of ODVE was initiated with the trimethyl silyl iodide/1,1,3,3‐tetramethoxy propane/ZnI2 system at 0°C in toluene. The living bifunctional polyODVE thus obtained was used as initiator for the polymerization of MVE. Below the LCST of polyMVE (37°C), the copolymers are amphiphiles. Above the LCST of polyMVE, the polyMVE‐blocks become hydrophobic and the amphiphilic nature of the block copolymer is lost. This was demonstrated by using the block copolymers as emulsifiers for water/decane mixtures. The emulsions were stable for several hours at room temperature, while the emulsion stability decreased to about 30 seconds at 40°C. PolyMVE‐α,ω‐bis‐methacrylates were obtained by end‐capping of living bifunctional polyMVE with 2‐hydroxyethyl methacrylate (HEMA). Copolymerization of these bis‐macromers with HEMA leads to segmented networks. The networks showed a reversible swelling/deswelling behavior in water as a function of temperature. This is caused by a change of the hydrophilicity of the polyMVE segments in the networks. Hexa(chloromethyl)melamine, combined with zinc chloride was found to be an efficient hexafunctional initiator for the living cationic polymerization of vinyl ethers. This simple initiating system opens new ways for the synthesis of endgroup‐functionalized star‐shaped poly(vinyl ethers). 相似文献
47.
Beatrice Malgesini Eduard Felder Nicola Mongelli Gianluca Papeo 《Molecular diversity》2009,13(1):53-56
Polyfluorinated N-α-Fmoc--Boc-l-lysine represents the best-in-class among a set of polyfluorinated amino acids (PFAs) which are useful tools for 19F NMR-Based Screening. In this communication, optimized reaction conditions that allowed for the multi-gram preparation of
this unnatural amino acid are reported. 相似文献
48.
A rapid protocol for the multicomponent microwave-assisted organocatalytic domino Knoevenagel/hetero Diels-Alder reaction (DKHDA) has been developed for the synthesis of 2,3-dihydropyran[2,3-c]pyrazoles. The reported procedure could be used for the fast generation of novel substituted 2,3-dihydropyran[2,3-c]pyrazoles with potential anti-tuberculosis activity. 相似文献
49.
John M. Beierle W. Seth Horne Dr. Jan H. van Maarseveen Prof. Dr. Beatrice Waser Jean Claude Reubi Prof. Dr. M. Reza Ghadiri Prof. Dr. 《Angewandte Chemie (International ed. in English)》2009,48(26):4725-4729
A would‐be amide : A 1,4‐disubstituted 1,2,3‐triazole was used as a surrogate for a trans amide bond to create a library of 16 diastereomeric pseudotetrapeptides as β‐turn mimetics. High‐resolution structural analysis indicated that these scaffolds adopt distinct, rigid, conformationally homogeneous β‐turn‐like structures (see example), some of which bind somatostatin receptor subtypes selectively, and some of which show broad‐spectrum activity.
50.
Nienhaus GU Nienhaus K Hölzle A Ivanchenko S Renzi F Oswald F Wolff M Schmitt F Röcker C Vallone B Weidemann W Heilker R Nar H Wiedenmann J 《Photochemistry and photobiology》2006,82(2):351-358
EosFP is a fluorescent protein from the coral Lobophyllia hemprichii that changes its fluorescence emission from green to red upon irradiation with near-UV light. Here we present the spectroscopic properties of wild-type EosFP and a variety of monomeric and dimeric mutants and provide a structural interpretation of its oligomerization and photoconversion, which is based on X-ray structure analysis of the green and red species that we reported recently. Because functional expression of the monomeric EosFP variant is limited to temperatures of 30 degrees C, we have developed a tandem dimer. This construct, in which two EosFP subunits are connected by a flexible 12 amino acid linker, expresses well after fusion with the androgen and endothelin A receptors at 37 degrees C. A variety of applications in cellular imaging, developmental biology and automated high-content screening applications are presented, which demonstrate that EosFP is a powerful tool for in vivo monitoring of cellular processes. 相似文献