Analysis of time-dependent conjugation of gold nanoparticles with an antiparkinsonian molecule by using curve resolution methods

In this work, the time-dependent conjugation process between a thiolated molecule (with anti-parkinsonian properties) and gold nanoparticles has been monitored and studied by the combined use of fast acquisition Ultra Violet–Visible (UV–Vis) spectra and the ability of Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) technique. From the highly informative kinetic profiles obtained it was possible to extract quantitative and qualitative information of the conjugation process which includes i) time-dependent concentration profiles and pure spectra of species involved on conjugation process, ii) estimation of molecule concentration necessary for the completeness of the conjugation reaction, iii) molecule footprint and iv) free energy of molecule adsorption.     

基于高光谱散射图像技术的UVE-LLE苹果粉质化分类

利用高光谱散射图像技术研究了苹果的粉质化无损检测.提出了一种无信息变量消除法和局部线性嵌入相结合的苹果粉质化分类的新方法.经无信息变量消除法筛选后的波段降为全谱的23.50％.将波段选择后的原始图像数据用局部线性嵌入降维作为偏最小二乘判别分析的输入变量并建模.无信息变量消除法与局部线性嵌入相结合算法和局部线性嵌入降维方...     

紫外分光光度法同时测定色氨酸和酪氨酸

以0.1mol/L NaOH为溶媒,18种组成蛋白氨基酸在280-310nm波长仅色氨酸和酪氨酸有吸收峰.利用这一特性,提出了色氨酸和酪氨酸混合体系的紫外光谱的测定方法,同时用偏最小二乘法(PLS)和多元线性回归法(MLR)等化学计量学方法对光谱数据直接进行解析,结果都较为满意.本法已用于复方氨基酸注射液的测定,结果也...     

近红外光谱法测定绿茶中氨基酸、咖啡碱和茶多酚的含量

直接取茶叶完整叶进行傅里叶变换近红外 (FT- NIR)光谱分析测定绿茶中氨基酸、咖啡碱和茶多酚的含量。茶叶的近红外光谱划分为 3个波段 ( :1 0 0 0 0— 71 4 3cm-1 :71 4 3— 5 376 cm-1 :5 376—4 0 0 0 cm-1 ) ,偏最小二乘法建立每种成分的数学模型 ,对不同波段的近红外分析结果进行讨论。在进一步优化波长范围的基础上获得了较好的数学模型 ,氨基酸、咖啡碱和茶多酚的校正值与化学值之间的相关系数分别达到 0 .994 ,0 .92和 0 .96 ,预测均方根误差分别为 0 .1 5 ,0 .31和 1 .6 7。     

Combining evolutionary and stochastic gradient techniques for system identification

In the present contribution, a novel method combining evolutionary and stochastic gradient techniques for system identification is presented. The method attempts to solve the AutoRegressive Moving Average (ARMA) system identification problem using a hybrid evolutionary algorithm which combines Genetic Algorithms (GAs) and the Least Mean Squares LMS algorithm. More precisely, LMS is used in the step of the evaluation of the fitness function in order to enhance the chromosomes produced by the GA. Experimental results demonstrate that the proposed method manages to identify unknown systems, even in cases with high additive noise. Furthermore, it is observed that, in most cases, the proposed method finds the correct order of the unknown system without using a lot of a priori information, compared to other system identification methods presented in the literature. So, the proposed hybrid evolutionary algorithm builds models that not only have small MSE, but also are very similar to the real systems. Except for that, all models derived from the proposed algorithm are stable.     

The square of a block graph

The square H² of a graph H is obtained from H by adding new edges between every two vertices having distance two in H. A block graph is one in which every block is a clique. For the first time, good characterizations and a linear time recognition of squares of block graphs are given in this paper. Our results generalize several previous known results on squares of trees.     

Regularized Total Least Squares Based on Quadratic Eigenvalue Problem Solvers

This paper presents a new computational approach for solving the Regularized Total Least Squares problem. The problem is formulated by adding a quadratic constraint to the Total Least Square minimization problem. Starting from the fact that a quadratically constrained Least Squares problem can be solved via a quadratic eigenvalue problem, an iterative procedure for solving the regularized Total Least Squares problem based on quadratic eigenvalue problems is presented. Discrete ill-posed problems are used as simulation examples in order to numerically validate the method. AMS subject classification (2000) 65F20, 65F30.Received March 2003. Revised November 2003. Accepted January 2004. Communicated by Per Christian Hansen.     

On problems of Erdös and Rudin

A well-known conjecture of W. Rudin is that the set of squares is a ∧_p-set for all p>4. In particular, this implies that for all ε>0, there exists a constant c_ε such that

     

Baseline correction combined partial least squares algorithm and its application in on-line Fourier transform infrared quantitative analysis

In order to eliminate the lower order polynomial interferences, a new quantitative calibration algorithm “Baseline Correction Combined Partial Least Squares (BCC-PLS)”, which combines baseline correction and conventional PLS, is proposed. By embedding baseline correction constraints into PLS weights selection, the proposed calibration algorithm overcomes the uncertainty in baseline correction and can meet the requirement of on-line attenuated total reflectance Fourier transform infrared (ATR-FTIR) quantitative analysis. The effectiveness of the algorithm is evaluated by the analysis of glucose and marzipan ATR-FTIR spectra. BCC-PLS algorithm shows improved prediction performance over PLS. The root mean square error of cross-validation (RMSECV) on marzipan spectra for the prediction of the moisture is found to be 0.53%, w/w (range 7–19%). The sugar content is predicted with a RMSECV of 2.04%, w/w (range 33–68%).     

近程空中目标航路研究

本文在等加速俯冲飞行假定下,分析了近程空中目标航路的特点,并据此提出了目标航路模型.经过投影变换,把目标航路模型转化为二次函数,从而使目标航路的滤波及预报问题得到简化,采用弟推最小二乘(RLS)原理,给出了目标航路的滤波器及预报器,最后,对本文方法进行了仿真,并对仿真结果进行了分析.