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991.
Development and validation of a liquid chromatography/tandem mass spectrometry method for the quantification of flucloxacillin and cloxacillin in microdialysis samples
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Karin H. M. Larmené‐Beld Marie‐Therese L. M. Vries‐Koenjer Peter G. J. ter Horst Wobbe Hospes 《Biomedical chromatography : BMC》2014,28(8):1096-1101
In the present study we developed and validated a liquid chromatography/tandem mass spectrometry (LC‐MS/MS) assay for the determination of flucloxacillin in human plasma and microdialysis samples and cloxacillin in microdialysis samples, using oxacillin as the internal standard for the assay. The samples were separated on a UPLC BEH C18,1.7 µm column (2.1 × 50 mm) and analyzed by a tandem–quadrupole mass spectrometer in multiple reaction monitoring mode using an electronspray ionization interface. For flucloxacillin the method was demonstrated to be accurate and precise in the linearity range of 1–30 mg/L in plasma and 0.05–5.0 mg/L for microdialysate with a regression coefficient (r) of 0.9986 and 0.9989 in plasma and microdialysate respectively. For cloxacillin it was accurate and precise in the range of 0.1–5.0 mg/L for microdialysate with a regression coefficient of 0.9972. The method presents a high sensitivity for flucloxacillin (lower limit of quantification of 1 mg/L for plasma and 0.05 mg/L for microdialysis samples) combined with a low within‐ and between‐day variation (<5.0% for flucloxacillin and cloxacillin in microdialysis samples and <6.5% for plasma samples of flucloxacillin). The validation experiments for the microdialysis probes showed a relative recovery of 85.5% for flucloxacillin at a flow rate of 1.0 μL/min. The results justify the use of this assay for clinical studies for measuring free unbound tissue concentrations of flucloxacillin in patients with a Staphylococcus aureus bacteremia. Copyright © 2014 John Wiley & Sons, Ltd. 相似文献
992.
Karin Engen Dr. Sudarsana Reddy Vanga Dr. Thomas Lundbäck Dr. Faith Agalo Vivek Konda Dr. Annika Jenmalm Jensen Prof. Johan Åqvist Dr. Hugo Gutiérrez-de-Terán Prof. Dr. Mathias Hallberg Prof. Dr. Mats Larhed Dr. Ulrika Rosenström 《ChemistryOpen》2020,9(3):325-337
Insulin-regulated aminopeptidase (IRAP) is a new potential macromolecular target for drugs aimed for treatment of cognitive disorders. Inhibition of IRAP by angiotensin IV (Ang IV) improves the memory and learning in rats. The majority of the known IRAP inhibitors are peptidic in character and suffer from poor pharmacokinetic properties. Herein, we present a series of small non-peptide IRAP inhibitors derived from a spiro-oxindole dihydroquinazolinone screening hit (pIC50 5.8). The compounds were synthesized either by a simple microwave (MW)-promoted three-component reaction, or by a two-step one-pot procedure. For decoration of the oxindole ring system, rapid MW-assisted Suzuki-Miyaura cross-couplings (1 min) were performed. A small improvement of potency (pIC50 6.6 for the most potent compound) and an increased solubility could be achieved. As deduced from computational modelling and MD simulations it is proposed that the S-configuration of the spiro-oxindole dihydroquinazolinones accounts for the inhibition of IRAP. 相似文献
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996.
Impact of position of electron withdrawing cyano groups on nonlinear optical properties of centrosymmetric donor‐π‐acceptor system
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Ran Hee Kim Jin Sun Park Kwang‐Sup Lee Karin Zojer Jean‐Luc Brédas 《International journal of quantum chemistry》2017,117(23)
Two symmetrically substituted phenylenevinylene D‐A‐D′‐A‐D type siblings, (2Z,2′Z)‐2,2′‐(2,5‐dimethoxy‐1,4‐phenylene)bis(3‐(4‐(dimethylamino)phenyl)acrylonitrile) (↑‐dscn) and (2Z,2′Z)‐3,3′‐(2,5‐dimethoxy‐1,4‐phenylene)bis(2‐(4‐(dimethylamino)phenyl)acrylonitrile) (↓‐dscn), are prepared. We investigate the effect of different but symmetrical location of these cyano groups in vinylene bridges on the 1‐photon and 2‐photon absorption behaviors. We report that the closeness of CN group on the vinyl group to the central phenyl ring in ↑‐dscn induces an intramolecular geometric distortion between the central phenyl ring and vinylene group, preventing the effective π‐conjugation length in ground and excited states. Thus, the transition energy that is observed in 1‐photon absorption and fluorescence is larger in ↑‐dscn than in ↓‐dscn. This leads to a different intramolecular charge distribution, as a result of which the linear and nonlinear optical properties strongly depend on the position of acceptors. These results are theoretically unraveled in terms of charge transfer pathways, charge distribution, and charge distribution differences on transition. 相似文献
997.
Karin Thorsheim Sebastian Clementson Emil Tykesson Dennis Bengtsson Daniel Strand Ulf Ellervik 《Tetrahedron letters》2017,58(35):3466-3469
β-1,4-Galactosyltransferase 7 (β4GalT7) is a key enzyme in the biosynthesis of glycosaminoglycan (GAG) chains. Natural and synthetic xylosides can be used to both inhibit and prime GAG synthesis by acting as inhibitors or substrates for β4GalT7. In this report, we exploit hydroxylated oxanes as deoxygenated xyloside analogs to clarify the minimum protein-ligand interactions required for galactosylation and/or inhibition. Enantiomerically pure substances were synthesized using a chiral pool approach whereas the corresponding racemates were obtained from simple starting materials. The results of a β4GalT7 assay show that a single hydroxyl group on an oxane ring is insufficient to induce galactosylation or inhibition, which implies that at least two substituents, one of which being 3-OH, needs to be present. 相似文献
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999.
Dr. Servaas Michielssens Dr. Jan Henning Peters Dr. David Ban Supriya Pratihar Dr. Daniel Seeliger Monika Sharma Karin Giller Dr. Thomas Michael Sabo Dr. Stefan Becker Dr. Donghan Lee Prof. Dr. Christian Griesinger Prof. Dr. Bert L. de Groot 《Angewandte Chemie (International ed. in English)》2014,53(39):10367-10371
In a conformational selection scenario, manipulating the populations of binding‐competent states should be expected to affect protein binding. We demonstrate how in silico designed point mutations within the core of ubiquitin, remote from the binding interface, change the binding specificity by shifting the conformational equilibrium of the ground‐state ensemble between open and closed substates that have a similar population in the wild‐type protein. Binding affinities determined by NMR titration experiments agree with the predictions, thereby showing that, indeed, a shift in the conformational equilibrium enables us to alter ubiquitin’s binding specificity and hence its function. Thus, we present a novel route towards designing specific binding by a conformational shift through exploiting the fact that conformational selection depends on the concentration of binding‐competent substates. 相似文献
1000.
Dr. Christoph Schotes Dr. Dmytro Ostrovskyi Johanna Senger Karin Schmidtkunz Prof. Dr. Manfred Jung Prof. Dr. Bernhard Breit 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(8):2164-2168
Homolargazole derivatives, in which the macrocycle of natural largazole is extended by one methylene group, were prepared by the recently developed rhodium‐catalyzed hydrocarboxylation reaction onto allenes. This strategy gives access to both the (18S)‐ and (18R)‐stereoisomers in high stereoselectivity under ligand control. 相似文献