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101.
核医学图像的平滑及自适应增强算法 总被引:1,自引:0,他引:1
针对核医学图像的特点,提出核医学图像的邻域加权平滑和自适应增强算法,用于去除图像噪声和增强图像,以改善图像的视觉效果,提高对核医学图像判读的正确性 相似文献
102.
文章对现有的凸多面锥法进行了改进.改进方法采用旧凸多面锥的边的凸组合来求新多面锥的新边,从而提高了算法的稳定性.并且将凸多面锥算法扩展到输出误差模型的参数估计上.仿真算例验证了改进方法的有效性. 相似文献
103.
gKS方程的孤立波解 总被引:2,自引:1,他引:1
非线性发展方程描述的系统中大量存在孤立波这种重要的非线性现象,求非线性发展方程的精确解是人们关心的问题,现已存在有较通用的反散射方法,以及对特定方程的非线性函数变换方法,近十年来人们利用计算机代数、考虑番列维分析或是待定系数方法。对大部分已知的非线性发展方程求得了方程的精确特解。本文以广义Kuramoto-Sivashinsky(gKS)方程为例,应用齐次平衡方法以及吴文俊消元法得到gKS方程的孤 相似文献
104.
We have developed a process that significantly reduces the number of rotamers in computational protein design calculations. This process, which we call Vegas, results in dramatic computational performance increases when used with algorithms based on the dead-end elimination (DEE) theorem. Vegas estimates the energy of each rotamer at each position by fixing each rotamer in turn and utilizing various search algorithms to optimize the remaining positions. Algorithms used for this context specific optimization can include Monte Carlo, self-consistent mean field, and the evaluation of an expression that generates a lower bound energy for the fixed rotamer. Rotamers with energies above a user-defined cutoff value are eliminated. We found that using Vegas to preprocess rotamers significantly reduced the calculation time of subsequent DEE-based algorithms while retaining the global minimum energy conformation. For a full boundary design of a 51 amino acid fragment of engrailed homeodomain, the total calculation time was reduced by 12-fold. 相似文献
105.
Hydroxylamine derivatives of (S)-prolinol have been generated using a Cope elimination. These undergo reverse-Cope elimination onto a pendant double bond to give morpholine N-oxides containing three contiguous chiral centres. 相似文献
106.
Molecular routes to metal oxides has become an area of intensescientific interest due to the technological relevance of thesematerials. Molecular routes are proving important as a result ofthe possibility to control the physical and chemical propertiesof the final materials.We have chosen to study non-hydrolytic methods, namely esterelimination reactions between two prototypical molecularprecursors metal alkoxides, M(OR)n, and metal carboxylates, M(O2CR)n, to synthesize metal oxides:
This method allows for the synthesis of pure metal oxides bycomplete elimination of the organic supporting ligands withconcomitant formation of M-O-M bridges.Furthermore, incomplete esterelimination can lead to isolation of molecular clusters asintermediates which can also be used as building blocks for theformation of metal oxides with controlled microstructure.Here we report a series of reactions between Sn and Si alkoxidesand carboxylates designed to gain further insight into thefactors governing ester elimination reactions. By choosingcompounds with varying coordination environments and stericaccessibility we have devised a set of criteria which shouldallow for successful ester elimination between metal alkoxide andcarboxylate compounds. Furthermore we have also shown theability of ester elimination derived molecular clusters withspecific microstructure to be used in the synthesis of bulkmaterials retaining the structural attributes of the precursor cluster. 相似文献
107.
Exact rotamer optimization for protein design 总被引:1,自引:0,他引:1
Computational methods play a central role in the rational design of novel proteins. The present work describes a new hybrid exact rotamer optimization (HERO) method that builds on previous dead-end elimination algorithms to yield dramatic performance enhancements. Measured on experimentally validated physical models, these improvements make it possible to perform previously intractable designs of entire protein core, surface, or boundary regions. Computational demonstrations include a full core design of the variable domains of the light and heavy chains of catalytic antibody 48G7 FAB with 74 residues and 10(128) conformations, a full core/boundary design of the beta1 domain of protein G with 25 residues and 10(53) conformations, and a full surface design of the beta1 domain of protein G with 27 residues and 10(60) conformations. In addition, a full sequence design of the beta1 domain of protein G is used to demonstrate the strong dependence of algorithm performance on the exact form of the potential function and the fidelity of the rotamer library. These results emphasize that search algorithm performance for protein design can only be meaningfully evaluated on physical models that have been subjected to experimental scrutiny. The new algorithm greatly facilitates ongoing efforts to engineer increasingly complex protein features. 相似文献
108.
The principles underlying a novel method intended for analyzing experimental data obtained when studying fluctuation processes are considered. The method in question is Chebyshev’s spectroscopy. The application of this method allows one to determine statistic characteristics of steady-state electrochemical noise against the background of severe deterministic interference without invoking the procedure of the fitting of the initial data. The potentialities of this novel method, which is intended for treating noise experiment, are demonstrated by examining model examples and analyzing the electrochemical noise generated by a lithium electrode placed in an aprotic organic electrolyte. 相似文献
109.
110.
Lothar Hennig Mario Alva-Astudillo Gerhard Mann Thomas Kappe 《Monatshefte für Chemie / Chemical Monthly》1992,123(6-7):571-579
Summary Treatment of substituted benzylidene anilines1 a – df with cyclic CH-acidic compounds2a–m in ethanol at room temperature yields in additon/elimination reactions the corresponding arylidene derivatives4 and the 2:1 adducts5. The addition products3, which are formed as intermediates, could not be isolated in any case. The donor/acceptor effect of the substituents on the benzylidene moiety influences to a significant extent the reactivity towards the azomethine carbon.
Neue Aspekte der Reaktion von Azomethinen mit cyclischen CH-aciden Verbindungen
Zusammenfassung Bei der Umsetzung der substituierten Benzylidenaniline1 a – f mit den cyclischen CH-aciden Verbindungen2 a – m in Ethanol bei Raumtemperatur erhält man in Additions/Eliminierungsreaktionen die Arylidenderivate4 und die 2:1-Addukte5. Die als Intermediat gebildeten Additionsprodukte3 konnten in keinem Fall isoliert werden. Die Donor-bzw. Acceptorwirkung der Substituenten am Benzylidenrest beeinflußt maßgebend die Reaktivität am Azomethinkohlenstoff.相似文献