Purpose Parallel factor analysis (parafac) coupled with support-vector machine (SVM) was carried out to identify and discriminate between the fluorescence spectroscopies of coconut water brands. Design/methodology/app...
详细信息
Purpose Parallel factor analysis (parafac) coupled with support-vector machine (SVM) was carried out to identify and discriminate between the fluorescence spectroscopies of coconut water brands. Design/methodology/approach parafac was applied to reduce three-dimensional data of excitation emission matrix (EEM) to two-dimensional data. SVM was applied to discriminate between six commercial coconut water brands in this study. The three largest variation data from fluorescence spectroscopy were extracted using the parafac method as the input data of SVM classifiers. Findings The discrimination results of the six commercial coconut water brands were achieved by three SVM methods (Ga-SVM, PSO-SVM and Grid-SVM). The best classification accuracies were 100.00%, 96.43% and 94.64% for the training set, test set and CV accuracy. Originality/value The above results indicate that fluorescence spectroscopy combined with parafac and SVM methods proved to be a simple and rapid detection method for coconut water and perhaps other beverages.
A new ternary copper(II) complex, [CU2(DL-Asp)(phen)(3)]SO4 center dot 4H(2)O (Phen = 1,10-phenanthroline, DL-Asp=DL-aspartic acid), has been synthesized and characterized by element analysis, infrared spectra and the...
详细信息
A new ternary copper(II) complex, [CU2(DL-Asp)(phen)(3)]SO4 center dot 4H(2)O (Phen = 1,10-phenanthroline, DL-Asp=DL-aspartic acid), has been synthesized and characterized by element analysis, infrared spectra and thermal analysis. Spectroscopic studies, including electronic absorption and fluorescence spectra, and parallel factor analysis (parafac) of fluorescence excitation-emission three-way data array were carried out on the DNA binding modes of the complex. The results suggest that at low molar ratio of the complex to DNA (0.25 at most), the end of four-coordinated Cu(II) of the complex binds to DNA by hydrogen bond, which induces the breakage of the secondary structure of DNA. Otherwise, the six-coordinated Cu(II) end of the complex intercalates into the base pair of DNA. Electrostatic effect also takes place between the complex cation and the phosphate group of DNA. Additionally, the equilibrium concentrations of EB-DNA and EB (EB = ethidium bromide) could be directly obtained by parafac algorithm. The results of parafac also indicate that, the conformation of the DNA is changed from B form to BZ mixed form by the interaction with the complex;EB may interact with BZ-DNA by cooperative binding which has a higher affinity than by intercalation with B-DNA. The parafac algorithm is proved a convincing method for studying the interaction of complexes with DNA. (c) 2006 Elsevier B.V. All rights reserved.
A new binuclear copper(II) complex, [Cu(2)Phen(2)Cl(4)] (Phen = 1,10-phenanthroline), has been synthesized and characterized. Single crystal X-ray diffraction results suggest that this complex structure belongs to mon...
详细信息
A new binuclear copper(II) complex, [Cu(2)Phen(2)Cl(4)] (Phen = 1,10-phenanthroline), has been synthesized and characterized. Single crystal X-ray diffraction results suggest that this complex structure belongs to monoclinic crystal system, Cc (no. 9) with the cell dimensions: a = 9.849(2) angstrom, b = 17.833(4) angstrom, c = 13.374(3) angstrom, beta = 106.61(3)degrees, V = 2251.0(8) angstrom(3), D-c = 1.8569 Mg m(-3), F(000) = 1256.0, Z = 4. One Cu(II) central atom situated in a distorted square planar geometry is four-coordinated. The other situated in a distorted square pyramidal geometry is five-coordinated. Only one bridging Cl atom exists in the complex. Spectroscopic studies, including electronic absorption and fluorescence spectra, conductivity measurements and parallel factor analysis (parafac) of fluorescence excitation-emission three-way data array, were carried out on the DNA binding behavior of the complex. All the results suggested that the breakage of DNA secondary structure took place at low molar ratio of complex to DNA (0.3 at most) and intercalation into the base pair of DNA took place at high molar ratio. Additionally, the equilibrium concentration of EB-DNA and EB (EB: ethidium bromide) could be directly obtained by parafac algorithm, proved to be a convincing method for studying the interaction of complexes with DNA. (c) 2006 Elsevier Inc. All rights reserved.
A novel algorithm, alternatively minimizing coupled vector (COV) resolution error and parafac error algorithm, is proposed in this paper. This algorithm can overcome the problem of slow convergence and is insensitive ...
详细信息
A novel algorithm, alternatively minimizing coupled vector (COV) resolution error and parafac error algorithm, is proposed in this paper. This algorithm can overcome the problem of slow convergence and is insensitive to the estimation of component number, such problems are unavoidable while using the traditional parallel factors analysis (parafac) algorithm. In other words, this algorithm is capable of improving the computing speed and providing accurate resolutions provided that the number of factors used in the computation is no less than that of the actual underlying ones. The characteristic performances were demonstrated with a novel fluorescence data array.
An alternating coupled matrices resolution (ACOMAR) method is developed for decomposition of three-way data arrays. By utilizing alternating least squares algorithm to minimize the proposed coupled matrices resolution...
详细信息
An alternating coupled matrices resolution (ACOMAR) method is developed for decomposition of three-way data arrays. By utilizing alternating least squares algorithm to minimize the proposed coupled matrices resolution error, the intrinsic profiles are found. Moreover, it yields simultaneously a numerically exact solution for all analytes present in the samples. This method retains the second-order advantage of quantization for analyte(s) of interest in the presence of potentially unknown interferents. The performance of a simulated experiment and a real analytical example shows that the proposed method works well when the number of components is chosen to be equal to or greater than the actual model dimensionality. The insensitivity of the ACOMAR method to the estimated component number escapes the difficulty of determining a proper component number for the model, which is hard to handle for the parafac algorithm. Furthermore, this method circumvents the two-factor degeneracy, which is intrinsic in the parafac algorithm. (C) 2000 Elsevier Science B.V. All rights reserved.
A new method, alternating coupled vectors resolution (ACOVER), is developed for trilinear analysis of a three‐way data array. First, based on the least‐squares principle, four coupled vectors resolution (COVER) erro...
详细信息
A new method, alternating coupled vectors resolution (ACOVER), is developed for trilinear analysis of a three-way data array. First, based on the least-squares principle, four coupled vectors resolution (COVER) errors...
详细信息
A new method, alternating coupled vectors resolution (ACOVER), is developed for trilinear analysis of a three-way data array. First, based on the least-squares principle, four coupled vectors resolution (COVER) errors are proposed. Second, a procedure which resolves the profiles of each component successively is developed. This characteristic of successive resolution provides a natural way to avoid the two-factor degeneracy. Experimental results show that the ACOVER method has the advantage that the resolved profiles of analytical interest an very stable with respect to the estimated component number when the number of components is chosen to be equal to or greater than the actual model dimensionality. This circumvents the dilemma of determining a proper component number for the model, which is difficult to handle for the parafac algorithm. Moreover, the method has much higher convergence rate than the parafac algorithm. Copyright (C) 1999 John Wiley & Sons, Ltd.
暂无评论