人工神经网络X射线荧光光谱法测定钢中酸溶铝

建立了一种人工神经网络-X射线荧光光谱法测定钢中酸溶铝的方法，用X射线荧光光谱法测定低合金钢中总铝值，应用所建立的ANN-BP网络模型，输入总铝含量直接预测出酸溶铝含量。同时使用改进的BP算法，避免了神经网络学习中可能产生的麻痹现象。该方法用于钢中酸溶铝的测定，结果满意。     

应用反向传播神经网络预测化合物脑血分配系数

选用27种三维结构性质描述符对脑血分配系数预测建立神经网络模型.网络模型选用典型的适合函数逼近的两层结构神经网络对脑血分配系数(lgBB,BB为脑血浓度比)进行预测,计算中采用的模型具有一个双曲正切型激活函数的隐含层和一个线性激活函数的输出层.计算表明,使用小心选择的反向传播神经网络模型对化合物脑血分配系数具有较好的预测能力.     

Artificial neural networks for quantification in unresolved capillary electrophoresis peaks

The application of the combination of experimental design (ED) and artificial neural networks (ANNs) for the quantification of overlapped peaks in capillary zone electrophoresis is described. When the total separation cannot be achieved by separation techniques, the use of ED-ANN can be a suitable approach. The unstability of EOF causes peak shift that has to be corrected in order to apply ED-ANN methods. In this work, normalization procedure of electropherograms with consequent application of ANNs for quantification purpose was developed. Both, spectra and electropherograms can be used as multivariate data. In general, both kinds of data were found to be suitable for unresolved peaks quantification by ED-ANN approach.     

Quantitative determination of paraffin oil in blood by capillary gas chromatography

A capillary gas chromatographic method is described for the quantitative determination of liquid paraffin in blood. Paraffin is extracted from blood into n-heptane. After solvent evaporation and dissolution of the residue in 100–200 μl n-heptane one μl is injected into a gas chromatograph fitted with a fused silica capillary column (Permabond® OV-1-CB-0.1, 10 m × 0.32 mm i.d.) and flame ionization detector. Analysis is performed by using an oven program [50°C (3 min)?285°C (5 min), rise 10%min]. The sensitivity (1.5 ng hexadecane) and the reproducibility prove the applicability of the method for the determination of liquid paraffin in blood and for the study of the stability of the liquid paraffin hollow fiber membranes used in an extracorporeal liver support system.     

Madaline网络用于分光光度法同时测定铜钴镍的研究

采用4－（2－吡啶偶氮）－间苯二酚（PAR）－Cu,Co,Ni显色体系，应用Madline神经网络原理，对于吸收光谱严重重叠的三组分金属配合物体系同时进行含量测定，Cu^2 ,Co^2 ,Ni^2 的平均回收率分别为94％，101％，102％，实验表明，该法具有训练速度快，预测结果准确度良好等特点，有望成为多组分分析的有效方法之一。     

用人工神经网络预测催化精馏塔开工过程的研究

催化精馏是使化学反应过程和精馏分离过程结合在一起,是伴有化学反应的新型特殊精馏过程.“反应精馏”概念自20年代提出以来,从30年代到60年代初,研究都是对特定体系的工艺探索;70年代后,研究扩展到非均相催化反应体系,出现了非均相催化精馏过程,成为了反应精馏的一个重要分支;     

Rigorous results on the thermodynamics of the dilute Hopfield model

We study the Hopfield model of an autoassociative memory on a random graph onN vertices where the probability of two vertices being joined by a link isp(N). Assuming thatp(N) goes to zero more slowly thanO(1/N), we prove the following results: (1) If the number of stored patternsm(N) is small enough such thatm(N)/Np(N) 0, asN, then the free energy of this model converges, upon proper rescaling, to that of the standard Curie-Weiss model, for almost all choices of the random graph and the random patterns. (2) If in additionm(N) < ln N/ln 2, we prove that there exists, forT< 1, a Gibbs measure associated to each original pattern, whereas for higher temperatures the Gibbs measure is unique. The basic technical result in the proofs is a uniform bound on the difference between the Hamiltonian on a random graph and its mean value.     

Recent developments on creation of artificial metalloenzymes

Organic synthesis using biocatalysts has been developed over many years and is still a prominent area of research. In this context, various hybrid biocatalysts composed of a synthetic metal complex catalyst and a protein scaffold (i.e. “artificial metalloenzymes”) have been constructed. One of the most recent research areas in biocatalysts-mediated synthesis is CC bond/cleavage, the most important type of reaction in organic chemistry. Some of the artificial enzymes were applied to in-cell reactions as well as in vitro systems. The effects of the structural fluctuation in biomacromolecules on their functions have also been realized. This review article includes recent research examples of artificial metalloenzymes used to CC bond formation/cleavage. As a perspective, we also focus on how we apply protein dynamics factor for the creation of new generation artificial metalloenzymes.