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Raman chemical imaging provides chemical and spatial information about pharmaceutical drug product. By using resolution methods on acquired spectra, the objective is to calculate pure spectra and distribution maps of image compounds. With multivariate curve resolution-alternating least squares, constraints are used to improve the performance of the resolution and to decrease the ambiguity linked to the final solution. Non negativity and spatial local rank constraints have been identified as the most powerful constraints to be used.  相似文献   
3.
Multivariate curve resolution methods, frequently used in analyzing bilinear data sets, result in ambiguous decomposition in general. Implementing the adequate constraints may lead to reduce the so-called rotational ambiguity drastically, and in the most favorable cases to the unique solution. However, in some special cases, non-negativity constraint as minimal information of the system is a sufficient condition to resolve profiles uniquely. Although, several studies on exploring the uniqueness of the bilinear non-negatively constrained multivariate curve resolution methods have been made in the literature, it has still remained a mysterious question. In 1995, Manne published his profile-based theorems giving the necessary and sufficient conditions of the unique resolution. In this study, a new term, i.e., data-based uniqueness is defined and investigated in details, and a general procedure is suggested for detection of uniquely recovered profile(s) on the basis of data set structure in the abstract space. Close inspection of Borgen plots of these data sets leads to realize the comprehensive information of local rank, and these argumentations furnish a basis for data-based uniqueness theorem. The reported phenomenon and its exploration is a new stage (it can be said fundament) in understanding and describing the bilinear (matrix-type) chemical data in general.  相似文献   
4.
Exposure of cimetidine (CIM) to dry heat (160–180 °C) afforded, upon cooling, a glassy solid containing new and hitherto unknown products. The kinetics of this process was studied by a second order chemometrics-assisted multi-spectroscopic approach. Proton and carbon-13 nuclear magnetic resonance (NMR), as well as ultraviolet and infrared spectroscopic data were jointly used, whereas multivariate curve resolution with alternating least squares (MCR-ALS) was employed as the chemometrics method to extract process information. It was established that drug degradation follows a first order kinetics.  相似文献   
5.
本文分析了刮板输送机的运行阻力,提出了考虑刮板输送机结构性弯曲所引起的附加阻力的必要性,列出了考虑结构性弯曲时总运行阻力的计算公式  相似文献   
6.
阐述了横向力计算的必要性,介绍了铁路曲线状态下横向力的计算方法,通过计算得出了横向力与车重、超高、速度、曲线半径的关系, 并提出了减小横向力的主要措施.  相似文献   
7.
饮用水中NO-3-N的含量对人体有重要影响,因此测定地下水中NO-3-N的含量具有重要意义.本文用UA-1600紫外可见分光光度计,通过标准曲线法,在204nm波长处测定地下水中硝酸盐氮的含量.  相似文献   
8.
The dependence of the beam propagation factor (M 2 parameter) with the absorbed pump power in the case of monolithic microchip laser under face-cooled configuration is extensively studied. Our investigations show that the M 2 parameter is related to the absorbed pump power through two parameters (α and β) whose values depend on the laser material properties and laser configuration. We have shown that one parameter arises due to the oscillation of higher order modes in the microchip cavity and the other parameter accounts for the spherical aberration associated with the thermal lens induced by the pump beam. Such dependency of M 2 parameter with the absorbed pump power is experimentally verified for a face-cooled monolithic microchip laser based on Nd3+ -doped GdVO4 crystal and the values of α and β parameters were estimated from the experimentally measured data points.  相似文献   
9.
皮伟 《物理与工程》2006,16(5):14-15
从点电荷的电势计算公式出发推导出了瓣形均匀带电面在其直径处的电势分布.进一步讨论了均匀带电半球面在其底面以及均匀带电球面内部和外部的电势分布.  相似文献   
10.
Let d−1{(x1,…,xd) d:x21+···+x2d=1} be the unit sphere of the d-dimensional Euclidean space d. For r>0, we denote by Brp (1p∞) the class of functions f on d−1 representable in the formwhere (y) denotes the usual Lebesgue measure on d−1, and Pλk(t) is the ultraspherical polynomial.For 1p,q∞, the Kolmogorov N-width of Brp in Lq( d−1) is given bythe left-most infimum being taken over all N-dimensional subspaces XN of Lq( d−1).The main result in this paper is that for r2(d−1)2,where ANBN means that there exists a positive constant C, independent of N, such that C−1ANBNCAN.This extends the well-known Kashin theorem on the asymptotic order of the Kolmogorov widths of the Sobolev class of the periodic functions.  相似文献   
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