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1.
Alexei Yu. Lukin Sergei V. Shevyakov Alexei V. Laptev Olga I. Davydova Vitali I. Shvets Olga V. Demina Yury P. Strokach Valery A. Barachevsky Michail V. Alfimov Sergei P. Gromov Artem I. Vedernikov Johan Lugtenburg Andrey A. Khodonov 《Journal of inclusion phenomena and macrocyclic chemistry》2004,49(1-2):153-161
An effective synthetic approach to the preparation of a new crown-ether vinylogs involving the Horner–Emmons olefination of carbonyl precursors with the use of C2- and C5-phosphonates was proposed. The effects of the conjugation chain length and the nature of the terminal polar functions in the phosphonate reagent on the yield and process stereoselectivity were discussed. 相似文献
2.
Kolen'ko YV Kovnir KA Gavrilov AI Garshev AV Meskin PE Churagulov BR Bouchard M Colbeau-Justin C Lebedev OI Van Tendeloo G Yoshimura M 《The journal of physical chemistry. B》2005,109(43):20303-20309
Mesoporous nanosized TiO2 and Zn(x)Ti(1-x)O(2-x) solid solution having a Zn content below 10 mol % with a particles size between 13 and 17 nm are prepared by a template-free sol-gel method followed by high-temperature supercritical drying in 2-propanol. The structural, textural, and electronic properties of the obtained nanomaterials are methodically investigated by using XRD, SEM, TEM, ED, HREM, EDX, ICP-OES, N(2) adsorption-desorption, Raman spectroscopy, and diffuse reflectance UV-vis spectroscopy. It is shown that the proposed synthesis technique leads to the formation of a Zn(x)Ti(1-x)O(2-x) solid solution based on the anatase crystal structure rather than a two-phase sample. High-resolution electron microscopy and electron diffraction indicate that the distribution of zinc atoms over the anatase structure does not lead to a considerable deformation of the crystal structure. 相似文献
3.
Peter Schwendt Michal Sivák Andrey E. Lapshin Yury I. Smolin Yury F. Shepelev Dalma Gyepesov 《Transition Metal Chemistry》1994,19(1):34-36
Summary The monoperoxo complexes, M2[VO(HEDTA)(O2)]· 4H2O, where M is K+ or NH
4
+
and H4EDTA is ethylene-diaminetetraacetic acid, were prepared and characterized by Raman and i.r. spectra in the solid state and in aqueous solution. The single crystal X-ray study revealed a pentagonal bipyramidal anion structure with a tetradentate HEDTA(3—) ligand. The decomposition of complexes in aqueous solution to blue vanadium(IV) complexes as end products proceeds via a nonperoxo complex of vanadium. 相似文献
4.
Tsirelson Vladimir Abramov Yury Zavodnik Valery Stash Adam Belokoneva Elena Stahn Jochen Pietsch Ullrich Feil Dirk 《Structural chemistry》1998,9(4):249-254
The critical points in the model electron density distributions of LiF, NaF, NaCl, and MgO crystals, constructed from accurate X-ray diffraction data, are determined. For LiF and MgO they are compared with those obtained from a Hartree–Fock electron density calculation. Both experiment and theory show the same type of critical points on the bond lines. The topological features in areas between structural units, where the electron density is low and near-uniform, turn out to be model dependent and cannot be established well with the data available. Topological analysis of procrystals (hypothetical systems consisting of spherical atoms or ions placed on the same sites as atoms in real crystal) show that (3, –1) critical points, usually connected with bonding interaction, are observed on interatomic lines in these nonbonded systems as well. 相似文献
5.
6.
Shou-Xin Wang Zhen Fang Zhi-Jin Fan Dun Wang Yue-Dong Li Xiao-Tian Ji Xue-Wen Hua Yun Huang Tatiana A. Kalinina Vasiliy A. Bakulev Yury Yu. Morzherin 《中国化学快报》2013,24(10):889-892
A series of novel tetrazole containing 1,2,3-thiadiazole derivatives were designed and synthesized via Ugi reaction. Their structures were confirmed by melting points, IR, 1H NMR, and HRMS (ESI). Preliminary bioassay indicated that most target compounds exhibited very good direct anti-TMV activity at 100 μg/mL, which was equal to or higher than that of ribavirin. Among them, compounds 4b, 4c and 4i also showed equivalent protection effect to ribavirin in vivo at 100 μg/mL. 相似文献
7.
8.
Yury Yu. Rusakov Irina L. Rusakova Leonid B. Krivdin 《Magnetic resonance in chemistry : MRC》2014,52(5):214-221
Four‐component relativistic calculations of 77Se–13C spin–spin coupling constants have been performed in the series of selenium heterocycles and their parent open‐chain selenides. It has been found that relativistic effects play an essential role in the selenium–carbon coupling mechanism and could result in a contribution of as much as 15–25% of the total values of the one‐bond selenium–carbon spin‐spin coupling constants. In the overall contribution of the relativistic effects to the total values of 1J(Se,C), the scalar relativistic corrections (negative in sign) by far dominate over the spin‐orbit ones (positive in sign), the latter being of less than 5%, as compared to the former (ca 20%). A combination of nonrelativistic second‐order polarization propagator approach (CC2) with the four‐component relativistic density functional theory scheme is recommended as a versatile tool for the calculation of 1J(Se,C). Solvent effects in the values of 1J(Se,C) calculated within the polarizable continuum model for the solvents with different dielectric constants (ε 2.2–78.4) are next to negligible decreasing negative 1J(Se,C) in absolute value by only about 1 Hz. The use of the locally dense basis set approach applied herewith for the calculation of 77Se–13C spin‐spin coupling constants is fully justified resulting in a dramatic decrease in computational cost with only 0.1–0.2‐Hz loss of accuracy. Copyright © 2014 John Wiley & Sons, Ltd. 相似文献
9.
10.
Ilya Kuselman Elena Kardash Emil Bashkansky Francesca Pennecchi Stephen L. R. Ellison Karen Ginsbury Malka Epstein Aleš Fajgelj Yury Karpov 《Accreditation and quality assurance》2013,18(6):459-467
A new technique for quantification of human errors in chemical analysis using expert judgments is described. This technique is based on the house-of-security approach developed recently in the field of safety and security for prevention of terrorist and criminal attacks against an organization. The following relative quantification parameters (expressed in %) are proposed in the technique: (a) likelihood score of human error in a chemical analytical measurement/testing method, (b) severity score of human error for reliability of the test results, (c) importance score of a component of a laboratory quality system, and (d) effectiveness score of the quality system as a whole in preventing/blocking human error. As an example, 34 scenarios of human error in pH measurement of groundwater are discussed and quantified. 相似文献