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951.
Bo Jiang Lixing Yang Yong Zhou Guanglin Huang Libin Lin 《Radiation Physics and Chemistry》2002,63(3-6):469-473
The radiation-induced hybrid polymerization in the presence of the N-alkoxypyridinium salt having relatively stable nonnucleophilic anion (PF6−) has been investigated in the paper. Based on the analysis of experimental data and the GPC spectrum, the onium salts not only oxidize -alkoxyalkyl radicals, produced from IBVE in dichloromethane by irradiation, to the corresponding cations, but also give nonnucleophilic anions PF6− for the polymerization system. The experimental results clearly demonstrate that free radical and cationic polymerization mechanisms occurred simultaneously in IBVE/EMP+PF6−/CH2Cl2 systems on irradiation with γ-ray. 相似文献
952.
A theoretical study of prednisolone, 6-fluoroprednisolone, 9-fluoroprednisolone, and 6,9-difluoroprednisolone has been performed at the ab initio HF/6-31G, MP2/6-31G, and B3LYP/6-31G levels. Structural information and the electronic features of prednisolone and its derivatives and the synergistic effect of 6,9-difluoroprednisolone was examined. Contrary to the AM1 and MNDO results, we found 9-fluoroprednisolone is more stable than the 6-fluoroprednisolone. The increased corticosteroid activity of the 6,9-difluoroprednisolone is most likely due to electronic effects, mainly related to the receptor binding. 相似文献
953.
Changzheng Wu Qing Yang Chao Huang Ping Yin Yi Xie 《Journal of solid state chemistry》2004,177(10):3522-3528
Pure hexagonal aluminum nitride (AlN) nanowhiskers have been successfully synthesized by directly reacting AlCl3 with NaN3 in non-solvent system at the low temperature of 450 °C for 24 h. The obtained products are characterized by X-ray diffraction, field emission scanning electron microscopy, transmission electron microscopy, high-resolution transmission electron microscopy and selected area electron diffraction, which show that the obtained products are hexagonal phase AlN nanowhiskers with width from 10 to 80 nm and length up to several micrometers. The influencing factors of the formation of AlN nanowhiskers were discussed and a possible growth mechanism for AlN nanowhiskers was proposed. Additionally, the study on the corresponding optical properties and catalytic properties is also carried out. 相似文献
954.
Binary excess molar volumes, V
m
E, have been evaluated from density measurements, using a vibrating tube densimeter over the entire composition range for binary
liquid mixtures of ionic liquids 1-ethyl-3-methyl-imidazolium diethyleneglycol monomethylethersulphate [EMIM]+[CH3(OCH2CH2)2OSO3]− or 1-butyl-3-methyl-imidazolium diethyleneglycol monomethylethersulphate [BMIM]+[CH3(OCH2CH2)2OSO3]− or 1-methyl-3-octyl-imidazolium diethyleneglycol monomethylethersulphate [MOIM]+[CH3(OCH2CH2)2OSO3]−+methanol and [EMIM]+[CH3(OCH2CH2)2OSO3]−+water at 298.15, 303.15 and 313.15 K. The V
m
E values were found to be negative for all systems studied. The V
m
E results are explained in terms of intermolecular interactions and packing effects. The experimental data were fitted by the
Redlich-Kister polynomial. 相似文献
955.
Coordination reactions of copper(II) ions and their effect on non-covalent interactions in uridine (Urd) or uridine 5′-monophosphate (UMP) systems with nucleosides (Ado, Cyd, Thd) and nucleotides (AMP and CMP) in aqueous solutions have been studied. At high pH the effective coordination centers are deprotonated N(3) atoms from Urd and Thd, whereas at low pH, the N(3) atoms of pyrimidine nucleosides are blocked for coordination and the metallation sites are endocyclic
nitrogen atoms from Ado, Cyd, AMP and CMP. Moreover, at low pH, the main reaction center in nucleotide solutions is the phosphate group. The NMR study has proven the
occurrence of non-covalent ion-dipole interactions and stacking interactions in the systems considered. Introduction of a
copper ion in the majority of systems causes the disappearance of weak interactions between ligands. The structures of the
complexes in solution have been inferred from the equilibrium study: an analysis of the pH range of their occurrence with
respect to the pH range of deprotonation of particular groups in the compounds studied, using Vis, EPR and 13C as well as 31P NMR spectral analysis. 相似文献
956.
We present a method for computing classical Newtonian trajectories that minimize the path length or transit time from reactant
to product. Our approach is based on a generalization of the fast-marching method, which allows us to construct the solution
of the Hamilton-Jacobi equation for the action that optimizes the desired quantity. The resulting “reactive paths” can be
interpreted as reaction coordinates but, unlike more conventional choices, they contain dynamical information about the chemical
system of interest. 相似文献
957.
The gold nanoprisms (GNPs) have exhibited special plasmonic properties for biomedical applications because of their unique shapes and dimensions. Based on their optical performance, the NIR dye IR780 not only enabled the GNPs-based nanosystem as SERRS nanoparticles for Raman-encoded molecular imaging, but also enhanced the plasmonic photothermal property by laser irradiation. Meanwhile, the GNPs/IR780-Lyp-1 by introduction of tumor-homing peptide segment LyP-1, which presents high affinity to p32 protein, demonstrated the increased enrichment in tumor region and enhanced photothermal therapy efficacy. 相似文献
958.
The effect of antimony concentration (C(Sb)/mass%) on the surface tension of molten silicon has been determined with the sessile drop method in the temperature range from 1693 to 1773 K and in the range of the oxygen partial pressure, Po(2), in an Ar atmosphere from 10(-23) to 10(-21) MPa. The results show that the surface tension of molten silicon decreases with increasing Sb concentration in the range of C(Sb)<0.9 mass%, which indicates positive adsorption of Sb in molten silicon and can be fairly described with the Szyszkowski's equation. The maximum decrease rate of surface tension is about 65 mN m(-1) (mass% C(Sb))(-1), and the temperature coefficient of surface tension, (partial differential sigma/ partial differential T)C(Sb), increases with increasing C(Sb). The evaporation of the systems was only observed between the melting points of antimony (904 K) and silicon (1683 K), and the surface tension presents no dependence on measuring time above the melting point of silicon. 相似文献
959.
The geometry of the 4′-cyano-(4′-CNPTB) and the 4′-methoxy-(4′-MePTB) phenylthiolbenzoates were obtained by ab initio calculations
employing 6–31G basis set at Hartee-Fock level of theory. The results predict an extended form of the molecules and torsional
angle between the phenyl rings at 90.85(6)0 and 90.87(3)0, respectively. On the basis of vibrational analysis the frequency assignment was carried out. The calculated frequencies
were compared with the experimental IR spectral data in carbon tetrachloride, carbon disulfide solutions and in solid state. 相似文献
960.
Separation of the phenolic fraction of Corydalis ochotensis afforded a new spirobenzylisoquinoline alkaloid, isoochotensine ( 1 ) and three known alkaloids, ochotensine ( 3 ), cheilanthifoline ( 7 ), and lienkonine ( 9 ) as their acetyl derivatives together with a known nonphenolic alkaloid, ochotensimine ( 5 ). Their structures were elucidated by the spectral data. 相似文献