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81.
Niobia–silica mesoporous materials (xerogel, aerogel and MCM type) have been synthesized by sol–gel techniques using different
co-solvents as templates. All materials are active catalysts in the epoxidation of cyclohexene with hydrogen peroxide, but
only meso–macroporous aerogels give a stable and recyclable catalyst. 相似文献
82.
Zdena Tvarůžková Magda Tupá Pavel Jírů Alfonso Nastro Giorgio Giordano Ferruccio Trifiró 《Catalysis Letters》1989,2(6):369-374
The small pore zeolite HLZ 132 exhibits, in comparison with other zeolites, an increased selectivity for the transformation of methanol to ethylene in the reaction temperature range 350–500 °C: the weight ratio of C2H4 to C3H6 in the products ranges between 1 and 4 at WHSV=2 h–1. Besides the effect of the reactant shape selectivity this fact may be interpreted by the participation of the asymmetrical methoxy groups in the surface as well as by proton-donor centres of lower acidity which do not catalyze the oligomerization of ethylene but which do the more basic molecule of propylene, thereby generating polyene-type coke. 相似文献
83.
José Iglesias Dolores Gonzalez-Pacanowska Carmen Marco Eduardo Garcia-Peregrin 《Lipids》1993,28(6):549-553
The purpose of the present study was to investigate the physiological control of the main regulatory enzymes of cholesterol
metabolism in isolated enterocytes obtained from chick duodenum, jejunum and ileum. Cholesterol feeding resulted in an inhibition
of 3-hydroxy-3-methylglutaryl-CoA reductase and mevalonate 5-pyrophosphate decarboxylase, while cholestyramine feeding increased
reductase activity in all the regions studied and decarboxylase activity only in duodenum. Cholesterol feeding markedly increased
acyl-CoA:cholesterol acyltransferase, but the effects of cholestyramine were less clear. The effects on transferase activity
cannot be due to differences in the availability of acyl-CoA as exogenous substrate as no significant differences were found
in acyl-CoA hydrolase activity after any of the dietary treatments. The effects of cholesterol feeding were related to changes
in the cholesterol content of epithelial cells, whereas in the case of cholestyramine this relationship was less apparent. 相似文献
84.
Sulphur extraction from coal by leaching with bromine-containing aqueous hydrobromic acid has been investigated in the temperature range from ambient to 120 °C. This procedure was found to be selective for the removal of high levels of sulphate and pyritic sulphur within a few minutes of leaching, while no significant reduction of the organic sulphur could be observed. Leaching led to an appreciable reduction of the ash yield and the up-take of substantial quantities of bromine. The bromine can be removed as hydrogen bromide by thermal treatment under nitrogen, without significant loss of volatile matter; for reduction of the bromine level to below 0.1 wt%, treatment for at least 1 h at ≈ 500 °C was needed. 相似文献
85.
Funke SA Otte N Eggert T Bocola M Jaeger KE Thiel W 《Protein engineering, design & selection : PEDS》2005,18(11):509-514
Chiral compounds can be produced efficiently by using biocatalysts. However, wild-type enzymes often do not meet the requirements of a production process, making optimization by rational design or directed evolution necessary. Here, we studied the lipase-catalyzed hydrolysis of the model substrate 1-(2-naphthyl)ethyl acetate both theoretically and experimentally. We found that a computational equivalent of alanine scanning mutagenesis based on QM/MM methodology can be applied to identify amino acid positions important for the activity of the enzyme. The theoretical results are consistent with concomitant experimental work using complete saturation mutagenesis and high-throughput screening of the target biocatalyst, a lipase from Bacillus subtilis. Both QM/MM-based calculations and molecular biology experiments identify histidine 76 as a residue that strongly affects the catalytic activity. The experiments demonstrate its important influence on enantioselectivity. 相似文献
86.
Marco Lattuada 《Chemical engineering science》2004,59(21):4401-4413
The radial density distributions of fractal clusters generated in both DLCA and RLCA conditions by Monte-Carlo off-lattice cluster-cluster aggregation have been investigated. It has been computed by averaging a large number of clusters of same mass to form an average cluster, which is then considered as spherically symmetric. It is found that the radial density distribution, calculated using the mass center of the cluster as the center point, does not follow the fractal scaling, as sometimes assumed in the literature. An empirical model has been proposed to describe the dependence of the radial density distribution on the number of particles in the cluster. The obtained radial density distribution is used to compute permeability profile of the fractal cluster using several literature models, which is then applied to estimate the cluster hydrodynamic radius, Rh, by considering the cluster as a porous permeable object and using the solution of Brinkman equations for the fluid flow inside the cluster. The so obtained Rh values are compared to those in the literature, computed using the Kirkwood-Riseman (KR) theory. It has been found that, among the five permeability models examined, only the model proposed by Davis (Proceedings of the Institution of Mechanical Engineers Part B 1, 185) provides results in good agreement with those obtained using the KR model. Furthermore, it has been verified that the Rh values are insensitive to the model used for the density distribution. 相似文献
87.
Shampa Kandoi Jeff Greeley Marco A. Sanchez-Castillo Steven T. Evans Amit A. Gokhale James A. Dumesic Manos Mavrikakis 《Topics in Catalysis》2006,37(1):17-28
A microkinetic model for methanol decomposition on platinum is presented. The model incorporates competitive decomposition
pathways, beginning with both O–H and C–H bond scission in methanol, and uses results from density functional theory (DFT)
calculations [Greeley and Mavrikakis, J. Am. Chem. Soc. 124 (2002) 7193, Greeley and Mavrikakis, J. Am. Chem. Soc. 126 (2004)
3910]. Results from reaction kinetics experiments show that the rate of H2 production increases with increasing temperature and methanol concentration in the feed and is only nominally affected by
the presence of CO or H2 with methanol. The model, based on the values of binding energies, pre-exponential factors and activation energy barriers
derived from first principles calculations, accurately predicts experimental reaction rates and orders. The model also gives
insight into the most favorable reaction pathway, the rate-limiting step, the apparent activation energy, coverages, and the
effects of pressure. It is found that the pathway beginning with the C–H bond scission (CH3OH→H2COH→HCOH→CO) is dominant compared with the path beginning with O–H bond scission. The cleavage of the first C–H bond in methanol
is the rate-controlling step. The surface is highly poisoned by CO, whereas COH appears to be a spectator species. 相似文献
88.
Massimo Guglielmi Giovanna Brusatin Giacomo Facchin Mario Gleria Roger De Jaeger Marco Musiani 《Journal of Inorganic and Organometallic Polymers》1996,6(3):221-236
In this paper the sol-gel preparation of hybrid materials made of metal oxide and polytorganophosphazenel components is described. The main problem focused on during this research was to avoid phase separation in order to get homogeneous materials. This problem was pursued looking at the formation of genuine chemical bonds between the exploited polyphosphazenes and the inorganic composite networks. Investigations on the thermal, mechanical, and electroconductive properties of the synthesized, phosphazene-containing composite materials showed that these matrices presented improved mechanical and thermal features with respect to those of the original phosphazene macromolecule, while the ionic conductivities of the prepared molecular hybrids doped with lithium or silver trillate are of the same order of magnitude as those measured for the neat, original phosphazene substrate.Presented at the Ist Italian Workshop on Cyclo- and Polytphosphazenel Materials. February 15–16, 1996. at the CNR Research Area in Padova, Italy. 相似文献
89.
4D Video Textures (4DVT) introduce a novel representation for rendering video‐realistic interactive character animation from a database of 4D actor performance captured in a multiple camera studio. 4D performance capture reconstructs dynamic shape and appearance over time but is limited to free‐viewpoint video replay of the same motion. Interactive animation from 4D performance capture has so far been limited to surface shape only. 4DVT is the final piece in the puzzle enabling video‐realistic interactive animation through two contributions: a layered view‐dependent texture map representation which supports efficient storage, transmission and rendering from multiple view video capture; and a rendering approach that combines multiple 4DVT sequences in a parametric motion space, maintaining video quality rendering of dynamic surface appearance whilst allowing high‐level interactive control of character motion and viewpoint. 4DVT is demonstrated for multiple characters and evaluated both quantitatively and through a user‐study which confirms that the visual quality of captured video is maintained. The 4DVT representation achieves >90% reduction in size and halves the rendering cost. 相似文献
90.
Gustavo Avolio Dominique M. M.‐P. Schreurs Antonio Raffo Giovanni Crupi Alina Caddemi Giorgio Vannini B. Nauwelaers 《国际射频与微波计算机辅助工程杂志》2014,24(1):109-116
This work presents a straightforward approach aimed at modeling the dynamic I–V characteristics of microwave active solid‐state devices. The drain‐source current generator represents the most significant source of nonlinearity in a transistor and, therefore, its correct modeling is fundamental to predict accurately the current and voltage waveforms under large‐signal operation. The proposed approach relies on using a small set of low‐frequency time‐domain waveform measurements combined with numerical optimization‐based estimation of the nonlinear model parameters. The procedure is applied to a gallium nitride HEMT and silicon FinFET. The effectiveness of the modeling procedure in terms of prediction accuracy and generalization capability is demonstrated by validation of the extracted models under operating conditions different than the ones used for the parameters estimation. Good agreement between measurements and model simulations is achieved for both technologies and in both low‐ and high‐frequency range. © 2013 Wiley Periodicals, Inc. Int J RF and Microwave CAE 24:109–116, 2014. 相似文献