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31.
Trivariate Cr macroelements defined in terms of polynomials of degree 8r + 1 on tetrahedra are analyzed. For r = 1,2, these spaces reduce
to well-known macroelement spaces used in data fitting and in the finite-element method.
We determine the dimension of these spaces, and describe stable local minimal determining sets and nodal minimal determining
sets. We also show that the spaces approximate smooth functions to optimal order. 相似文献
32.
Ternary Ti-Si-N refractory barrier films of 15 nm thick was prepared by low frequency, high density, inductively coupled plasma implantation of N into TixSiy substrate. This leads to the formation of Ti-N and Si-N compounds in the ternary film. Diffusion of copper in the barrier layer after annealing treatment at various temperatures was investigated using time-of-flight secondary ion mass spectrometer (ToF-SIMS) depth profiling, X-ray diffractometer (XRD), field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX) and sheet resistance measurement. The current study found that barrier failure did not occur until 650 °C annealing for 30 min. The failure occurs by the diffusion of copper into the Ti-Si-N film to form Cu-Ti and Cu-N compounds. FESEM surface morphology and EDX show that copper compounds were formed on the ridge areas of the Ti-Si-N film. The sheet resistance verifies the diffusion of Cu into the Ti-Si-N film; there is a sudden drop in the resistance with Cu compound formation. This finding provides a simple and effective method of monitoring Cu diffusion in TiN-based diffusion barriers. 相似文献
33.
34.
Molecularly imprinted microspheres (MIMs) against trimethoprim (TMP), prepared by aqueous microsuspension polymerization, bound strongly to TMP, by electrostatic and other non-covalent interactions. The effects of pH, kind and ionic strength (I) of buffer on capacity factors (k') have been discussed in detail. The capacity factors for TMP increased with increasing pH of both acetate and phosphate buffers. The effects of ionic strength on capacity factors were very substantial and the linear relationship between logk' and logI was described by the equation logk'=0.3162-0.4420logI with R=-0.9995. The results showed that pH 3.5 acetate buffer (0.05 mol L(-1)) containing 0.1 mol L(-1) sodium chloride and a 1:9 ratio of buffer to methanol were the optimum conditions for separation and determination of TMP. The calibration plot of peak area against concentration was linear with R=0.9979. 相似文献
35.
[formula: see text] A spherical host with D2d symmetry consisting of a tetrathia[3.3.3.3]paracyclophane and two 18-crown-6 moieties was synthesized. Its crystal structure shows a central cavity with a diameter of 1.96 A and a depth of 6.75 A. A Na+ ion could rest in the cavity center but prefers core binding to external binding in one of the crown units. An intramolecular kinetic equilibrium was reached with the Na+ ion switching between the two crown units with an energy barrier of 14.1 +/- 3 kcal/mol. 相似文献
36.
Qiong Yu Lai Ji Zheng LuXiao Bo Su Xiao Yang Ji 《Journal of solid state chemistry》2002,165(2):312-316
Spinel compound LiNi1−xMnxVO4 (0≤x≤0.4) had been prepared by using the moist chemical method. X-ray diffraction spectra showed that the lattice constant increased with x in the LiNi1−xMnxVO4, XPS spectra indicating that Li1s had a chemical shift towards lesser binding energy, and manganese in LiNi1−xMnxVO4 existing as the mixed valence of Mn2+ and Mn3+. The electrochemical charge and discharge testing at a current density of 0.1 mA/cm2 between the potentials of 4.0 and 3.0 V vs Li/Li+ in 1 mol/dm3 LiPF6/EC+DEC (1:1 by volume) at 25°C showed that LiNi1−xMnxVO4 cell has a better rechargeability, but a lower cell voltage of 4.0 V vs Li/Li+ than that without the doping sample, and the capacity and the cycle efficiency of the Li/LiNi1−xMnxVO4 cells increased with x in the LiNi1−xMnxVO4. 相似文献
37.
Asymmetric polysulfone membranes were prepared by wet phase inversion method with different demixing rate of casting solutions. The influent factor of demixing rate was focused on the polarity of additive in the polysulfone/N-methyl-2-pyrrolidone/water ternary system. With increasing the polarity of alcohols in the casting solution, the decrease in skin layer thickness was observed and then a poor separation performance of membranes can be obtained. It was found that the polar additive caused the rapidly demixing of casting solution in coagulation bath and formed porous asymmetric membranes with defective skin layer. In the other case, chloroform was used as the non-polar additive in casting solution. With increasing the mount of chloroform in the casting solution, the increase in skin layer thickness was observed and then lead to a good separation performance of these membranes. It was found that of the non-polar additive delays the demixing rate of casting solution in this ternary system. The separation performance of these asymmetric membranes were characterized by the measurement of dehydration of ethanol/water mixture by pervaporation and observed the morphology by scanning electron microscopy. It was found that the separation performance of asymmetric polysulfone membrane strongly depends on the polarity of adding solvent in polysulfone/N-methyl-2-pyrrolidone/water ternary system. 相似文献
38.
Summary The effect of transition metals (Cr, Mn, Fe, Co, Ni and Cu) on the selective hydrogenation of cinnamaldehyde (CMA) to the
corresponding semi-hydrogenated product over Pt/CNTs catalyst has been studied in ethanol at 343 K under 2.0 MPa H2 pressure. PtNi/CNTs catalyst shows good catalytic activity and selectivity of C=C bond hydrogenation, 68.4% for conversion
of CMA and 97.0% for selectivity of hydrocinnamaldehyde (HCMA). PtCo/CNTs catalyst shows good catalytic activity and selectivity
of C=O bond hydrogenation, 91.3% for conversion of CMA and 88.2% for selectivity of cinnamylalcohol (CMO). 相似文献
39.
Four new chiral stationary phases based on mono-(6A-allylcarbamido-6A-deoxy)-arylcarbamoylated β-cyclodextrin were synthesized. The chiral stationary phase of phenylcarbamoylated β-cyclodextrin exhibited excellent separation capability for a variety of chiral compounds. Compared with the previous work, it was found that the spacer remained on the surface of the silica gel and decreased the enantioseparation capability. 相似文献
40.
Liu Z Huang C Fan K Wei P Chen H Liu S Pei J Shi L Li B Yang K Liu Y Lai L 《Journal of chemical information and modeling》2005,45(1):10-17
The SARS coronavirus 3C-like proteinase is considered as a potential drug design target for the treatment of severe acute respiratory syndrome (SARS). Owing to the lack of available drugs for the treatment of SARS, the discovery of inhibitors for SARS coronavirus 3C-like proteinase that can potentially be optimized as drugs appears to be highly desirable. We have built a "flexible" three-dimensional model for SARS 3C-like proteinase by homology modeling and multicanonical molecular dynamics method and used the model for virtual screening of chemical databases. After Dock procedures, strategies including pharmocophore model, consensus scoring, and "drug-like" filters were applied in order to accelerate the process and improve the success rate of virtual docking screening hit lists. Forty compounds were purchased and tested by HPLC and colorimetric assay against SARS 3C-like proteinase. Three of them including calmidazolium, a well-known antagonist of calmodulin, were found to inhibit the enzyme with an apparent K(i) from 61 to 178 microM. These active compounds and their binding modes provide useful information for understanding the binding sites and for further selective drug design against SARS and other coronavirus. 相似文献