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41.
Studying protein–protein affinity and immobilized ligand–protein affinity interactions using MS-based methods 总被引:1,自引:0,他引:1
This review discusses the most important current methods employing mass spectrometry (MS) analysis for the study of protein
affinity interactions. The methods are discussed in depth with particular reference to MS-based approaches for analyzing protein–protein
and protein–immobilized ligand interactions, analyzed either directly or indirectly. First, we introduce MS methods for the
study of intact protein complexes in the gas phase. Next, pull-down methods for affinity-based analysis of protein–protein
and protein–immobilized ligand interactions are discussed. Presently, this field of research is often called interactomics
or interaction proteomics. A slightly different approach that will be discussed, chemical proteomics, allows one to analyze
selectivity profiles of ligands for multiple drug targets and off-targets. Additionally, of particular interest is the use
of surface plasmon resonance technologies coupled with MS for the study of protein interactions. The review addresses the
principle of each of the methods with a focus on recent developments and the applicability to lead compound generation in
drug discovery as well as the elucidation of protein interactions involved in cellular processes. The review focuses on the
analysis of bioaffinity interactions of proteins with other proteins and with ligands, where the proteins are considered as
the bioactives analyzed by MS. 相似文献
42.
Stela Andrea Muntean Hubertus M. J. M. Wedershoven Roman A. Gerasimov Alexey V. Lyulin 《Macromolecular theory and simulations》2012,21(2):90-97
The united atoms (UA) and dummy hydrogen atom (DHA) approaches for molecular dynamics simulations of the interface between oxidized atactic polystyrene (aPS) thin films and water are compared. For both oxidized and non‐oxidized aPS films the polymer density profile decays steepest when using the UA model. The surface roughness of the aPS film and the ordering of the phenyl rings near the surface decrease upon changing from vacuum to water for the UA, but not for the DHA model. This also supports the fact that the non‐oxidized aPS films modeled in DHA representation become less hydrophobic. The water structure close to the interface also suggests that the aPS films modeled using UA are more hydrophobic compared to the aPS films modeled with DHA in the phenyl rings.
43.
44.
The synthesis and conformational behavior of two cyclodextrin dimers containing aromatic bipyridine spacers is presented. The proton NMR spectra of these dimers in aqueous solution show a doubling of signals in the aromatic region due to complete or partial self-inclusion of the spacer. The degree and the strength of self-inclusion is dependent on the substitution pattern of the bipyridine unit. This unexpected difference in the self-inclusion behavior is revealed by 2D NOESY and circular dichroism spectra. 相似文献
45.
Tietze LF Bell HP Chandrasekhar S 《Angewandte Chemie (International ed. in English)》2003,42(34):3996-4028
Natural products play an important role in the development of drugs, especially for the treatment of infections and cancer, as well as immunosuppressive compounds. However, the number of natural products is limited, whereas millions of hybrids as combinations of parts of different natural products can be prepared. This new approach seems to be very promising in the development of leads for both medicinal and agrochemical applications, as the biological activity of several new hybrids exceeds that of the parent compounds. The advantage of this concept over a combinatorial chemistry approach is the high diversity and the inherent biological activity of the hybrids. 相似文献
46.
Detlev?Sülzle Marcus?Bauser Thomas?Frenzel Gregor?Jost Hubertus?Pietsch Martina?Sch?fer Markus?BergerEmail author Jorma?Hassfeld Heribert?Schmitt-Willich 《Journal of Cluster Science》2015,26(1):111-118
In recognition of the seminal contributions of F. A. Cotton and A. Bino to the field of aqueous chemistry of organometallic, trinuclear cluster compounds of tungsten, we describe their modifications and use as contrast agents for X-ray computed tomography. To enable their fundamental work for an advantageous diagnostic application in medicine a new generation of polydentate W3O2 complexes with improved hydrolytical stability has been synthesized and characterized. The applicability as new metal based contrast agent has been demonstrated in a computed tomography angiography animal study with increased signal intensity. Especially the bis tridentate W3O2 complexes with their reduced stereochemical complexity represent a promising new class in the field of X-ray contrast agents. 相似文献
47.
Hubertus Rimke Günter Herrmann Marita Mang Christoph Mühleck Joachim Riegel Peter Sattelberger Norbert Trautmann Friedhelm Ames Hans -Jürgen Kluge Ernst -Wilhelm Otten Dieter Rehklau Wolfgang Ruster Franz Scheerer 《Mikrochimica acta》1989,99(3-6):223-230
Resonance ionization mass spectrometry (RIMS) is a very sensitive analytical technique for the detection of trace elements. This method is based on the excitation and ionization of atoms with resonant laser light followed by mass analysis. It allows element and, in some cases, isotope selective ionization and is applicable to most of the elements of the periodic table. A high selectivity can be achieved by applying three step photoionization of the elements under investigation and an additional mass separation for an unambiguous isotope assignment.An effective facility for resonance ionization mass spectrometry consists of three dye lasers which are pumped by two copper vapor lasers and of a linear time-of-flight spectrometer with a resolution better than 2500. Each copper vapor laser has a pulse repetition rate of 6.5 kHz and an average output power of 30 W.With such an apparatus measurements with lanthanide-, actinide-, and technetium-samples have been performed. By saturating the excitation steps and by using autoionizing states for the ionization step a detection efficiency of 4 × 10–6 and 2.5 × 10–6 has been reached for plutonium and technetium, respectively, leading to a detection limit of less than 107 atoms in the sample. Measurements of isotope ratios of plutonium samples were in good agreement with mass-spectrometric data. The high elemental selectivity of the resonance ionization spectrometry could be demonstrated.Presented in part at the 1989 European Winter Conference on Plasma Spectrochemistry, Reutte, Austria 相似文献
48.
49.
This article complements the paper (Jongen, Stein, Smoothing by mollifers part I: semi-infinite optimization J Glob Optim
doi:), where we showed that a compact feasible set of a standard semi-infinite optimization problem can be approximated arbitrarily
well by a level set of a single smooth function with certain regularity properties. In the special case of nonlinear programming
this function is constructed as the mollification of the finite min-function which describes the feasible set. In the present
article we treat the correspondences between Karush–Kuhn–Tucker points of the original and the smoothed problem, and between
their associated Morse indices.
相似文献
50.
Singular perturbation techniques are used to study solutions of certain nonlinear boundary-value problems defined on domains with a circular hole of radius ε, in the limit ε → 0. Asymptotic expansions are constructed to describe the behavior of solutions at and near simple and double limit points (cusps). In particular, the behavior of axisymmetric solutions in an annular domain at limit points is investigated. The results are applied to two model problems arising in chemical-reactor theory. The asymptotic analysis predicts a surprisingly large sensitivity of limit points to the ε-domain perturbation considered here. 相似文献