Annexin I homology models were built from the annexin V crystalstructure. Three methods for side-chain prediction were testedbased on molecular mechanics conformational search, the useof a rotamer database, or a combination of these two methods.We showed that rotamer-based methods were more efficient andthat molecular mechanics energy minimizations, prior to rotamerselection, did not afford clearly improved predictions. Modelsbuilt in vacuo and with an implicit solvation term were comparedwith the annexin I crystal structure which became availableduring the course of this study. The analysis of solvation energies,root mean square deviations, Xi angles and hydrogen bonds showedthat models built with implicit solvation were of better quality.In annexin V, repeat III displays A-B and D-E loop conformationsquite different from other repeats. Since the sequence differencessuggest that repeat III in annexin I might present a conformationsimilar to other repeats, two annexin I models with differentrepeat III conformations were built and compared to determinewhether the correct conformation could have been predicted.We show that using a combination of evaluation criteria, itis possible to discriminate unequivocally between the nativeand the incorrect fold, stressing that only one criterion shouldnot be used to evaluate protein structures. 相似文献
Cleaning of TPP flue gases with bag filters capable of pulsed regeneration is examined. A new filtering element with a three-dimensional
filtering material formed from a needle-broached cloth in which the filtration area, as compared with a conventional smooth
bag, is increased by more than two times, is proposed. The design of a new FRMI type of modular filter is also proposed. A
standard series of FRMI filters with a filtration area ranging from 800 to 16,000 m2 is designed for an output more than 1 million m3/h of with respect to cleaned gas. The new bag filter permits dry collection of sulfur oxides from waste gases at TPP operating
on high-sulfur coals. The design of the filter makes it possible to replace filter elements without taking the entire unit
out of service.
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Translated from élektricheskie Stantsii, No. 3, March 2007, pp. 43–46. 相似文献
Optimal solutions in environmental catalysis require a well-coordinated development of catalysts and of process design. This contribution is devoted to energy integrated design concepts for fuel reforming and for automotive exhaust purification. The examples presented demonstrate the importance of an innovative process design for optimal utilization of existing catalysts and show the potential of future developments.
New concepts for steam reforming through the efficient coupling of the endothermic reforming reaction with an exothermic combustion reaction are discussed in the first part. These concepts have been implemented for methanol steam reforming in a counter-current reactor with distributed side feed of burner gas and for methane steam reforming in a modular reactor with a co-current reaction section for the endothermic and the combustion reaction and attached counter-current heat exchangers. Both applications employ the so-called folded sheet reactor design, which ensures an excellent heat transfer between the reforming and combustion channels and efficient heat recovery.
A similar design solution is introduced for the apparently different case of automotive exhaust purification. The proposed concept aims at decoupling exhaust after-treatment from engine control. Its main component is a counter-current heat exchanger with integrated purification stages for HC-oxidation, NOX storage and reduction and soot filtering. A small catalytic burner at the hot end of the heat exchanger provides both heat and oxidizing or reducing agents on demand. A new soot filter design allows for safe soot filter regeneration. 相似文献
This paper introduces a new nonlinear filtering structure for filtering image data that have been corrupted by both impulsive and nonimpulsive additive noise. Like other nonlinear filters, the proposed filtering structure uses order-statistic operations to remove the effects of the impulsive noise. Unlike other filters, however, nonimpulsive noise is smoothed by using a maximum a posteriori estimation criterion. The prior model for the image is a novel Markov random-field model that models image edges so that they are accurately estimated while additive Gaussian noise is smoothed. The Markov random-field-based prior is chosen such that the filter has desirable analytical and computational properties. The estimate of the signal value is obtained at the unique minimum of the a posteriori log likelihood function. This function is convex so that the output of the filter can be easily computed by using either digital or analog computational methods. The effects of the various parameters of the model will be discussed, and the choice of the predetection order statistic filter will also be examined. Example outputs under various noise conditions will be given. 相似文献
We present a family of discrete isometric bending models (IBMs) for triangulated surfaces in 3-space. These models are derived from an axiomatic treatment of discrete Laplace operators, using these operators to obtain linear models for discrete mean curvature from which bending energies are assembled. Under the assumption of isometric surface deformations we show that these energies are quadratic in surface positions. The corresponding linear energy gradients and constant energy Hessians constitute an efficient model for computing bending forces and their derivatives, enabling fast time-integration of cloth dynamics with a two- to three-fold net speedup over existing nonlinear methods, and near-interactive rates for Willmore smoothing of large meshes. 相似文献
A comparative analysis of such methods of defuzzification of fuzzy numbers as WABL (Weighted Averaging Based on Levels), centroid, and mean of maxima (MOM) is presented in the study. Analytic formulas are presented for calculating the defuzzification values for parametrically represented fuzzy numbers of triangular and trapezoidal form. 相似文献
This paper introduces a stochastic filtering modeling approach for predicting the remaining lifetime of a component based on information on the stochastic degradation process and uncertain condition monitoring measurements. The model is illustrated by a case study, where the degradation is assumed to be a simplified fatigue crack growth process. The model accounts for uncertainties in both degradation process and condition measurements in a sound way. If completed with information on costs of monitoring, failure and replacement, such model could be used in optimizing both the condition monitoring intervals and, e.g. the replacement time for the component. 相似文献