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101.
Dr. Pravin Kumar Ankush Jagtap Dr. Sam Asami Claudia Sippel Prof. Dr. Ville R. I. Kaila Prof. Dr. Felix Hausch Prof. Dr. Michael Sattler 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(28):9529-9533
The recently discovered SAFit class of inhibitors against the Hsp90 co‐chaperone FKBP51 show greater than 10 000‐fold selectivity over its closely related paralogue FKBP52. However, the mechanism underlying this selectivity remained unknown. By combining NMR spectroscopy, biophysical and computational methods with mutational analysis, we show that the SAFit molecules bind to a transient pocket in FKBP51. This represents a weakly populated conformation resembling the inhibitor‐bound state of FKBP51, suggesting conformational selection rather than induced fit as the major binding mechanism. The inhibitor‐bound conformation of FKBP51 is stabilized by an allosteric network of residues located away from the inhibitor‐binding site. These residues stabilize the Phe67 side chain in a dynamic outward conformation and are distinct in FKBP52, thus rationalizing the basis for the selectivity of SAFit inhibitors. Our results represent a paradigm for the selective inhibition of transient binding pockets. 相似文献
102.
Ohne ZusammenfassungDer erste Teil der Arbeit ist in dieser Zeitschrift, Bd. 89, S. 1–29 erschienen. Auf das dort beigefügte Literaturverzeichnis beziehen sich die im folgenden gegebenen Literaturhinweise. 相似文献
103.
The frequencies of 32 absorption lines of 14NH3 were measured to within 2 × 10?4 cm?1 in the 9- and 10-μm regions by use of a diode laser heterodyne spectrometer. 相似文献
104.
海洋真菌中Actinopyrone A and C的分离与结构解析 总被引:1,自引:0,他引:1
应用各种层析手段(Sephadex LH-20,硅胶Silica和RP-8柱层析),从海洋真菌发酵液中分离纯化了2个actinopyrone类化合物,结合多种波谱方法(HRESI-MS, 1D NMR, 2D NMR),确定了它们的结构为:actinopyrone A 和 C. 利用NOESY试验确定了它们的相对构型,并根据HMBC数据纠正了这2个化合物C-21(H-21)位和C-22(H-22)位的化学位移. 相似文献
105.
Minjuan Xu Guido Gessner Corinna Lange Torsten Bruhn Xiang Li Susanne Grabley Isabel Sattler Wenhan Lin 《Tetrahedron》2007,63(2):435-444
A chemical examination of the endophytic fungus Penicillium sp. isolated from the mangrove plant Aegiceras corniculatum resulted in the isolation and characterization of eight new indole triterpenes named shearinines D-K (1-8), along with shearinine A (9), paspalitrem A (10), and paspaline (11). Their stereostructures were determined by extensive spectroscopic data analyses and quantum chemical circular dichroism calculations. The biosynthetic relationship of all 11 alkaloids is suggested. Shearinines D (1), E (2), and (with reduced potency) G (4) exhibit significant in vitro blocking activity on large-conductance calcium-activated potassium channels. 相似文献
106.
Niu XM Li SH Görls H Schollmeyer D Hilliger M Grabley S Sattler I 《Organic letters》2007,9(13):2437-2440
Abyssomicin E (1), a new polycyclic metabolite with a C19 skeleton, was isolated from Streptomyces sp. (HKI0381). Its chemical structure was determined by comprehensive NMR and MS spectroscopic analyses. For the first time in this recently discovered class of compounds, the absolute stereochemistry was directly established by subsequent single-crystal X-ray diffraction study using anomalous dispersion with copper radiation. 相似文献
107.
108.
Dr. Benedikt P. Klein Lukas Ruppenthal Samuel J. Hall Lars E. Sattler Sebastian M. Weber Jan Herritsch Andrea Jaegermann Prof. Reinhard J. Maurer Prof. Gerhard Hilt Prof. J. Michael Gottfried 《Chemphyschem》2021,22(11):1065-1073
Pyrene derivatives play a prominent role in organic electronic devices, including field effect transistors, light emitting diodes, and solar cells. The flexibility in the desired properties has previously been achieved by variation of substituents at the periphery of the pyrene backbone. In contrast, the influence of the topology of the central π-electron system on the relevant properties such as the band gap or the fluorescence behavior has not yet been addressed. In this work, pyrene is compared with its structural isomer azupyrene, which has a π-electron system with non-alternant topology. Using photoelectron spectroscopy, near edge X-ray absorption fine structure spectroscopy, and other methods, it is shown that the electronic band gap of azupyrene is by 0.72 eV smaller than that of pyrene. The difference of the optical band gaps is even larger with 1.09 eV, as determined by ultraviolet–visible absorption spectroscopy. The non-alternant nature of azupyrene is also associated with a more localized charge distribution. Further insight is provided by density functional theory (DFT) calculations of the molecular properties and ab initio coupled cluster calculations of the optical transitions. The concept of aromaticity is used to interpret the major topology-related differences. 相似文献
109.
110.
Michael Fuchs Dominik Koszelewski Katharina Tauber Johann Sattler Wilfried Banko Anja K. Holzer Mathias Pickl Wolfgang Kroutil Kurt Faber 《Tetrahedron》2012,68(37):7691-7694
(S)-Rivastigmine [(S)-1] was obtained via a four-step synthesis using an asymmetric enzymatic transamination protocol as the key step. An early introduction of the carbamate pharmacophore side chain avoided the use of protective group strategies and hence led to a considerable shortcut. This strategy required a novel ω-transaminase from Paracoccus denitrificans, which could transform the highly polar key substrate 3-acetylphenyl ethyl(methyl)carbamate (4) to the corresponding amine (S)-5 in 99% ee and >80% conversion. 相似文献