Setting local rank constraints by orthogonal projections for image resolution analysis: Application to the determination of a low dose pharmaceutical compound

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.     

Definition and detection of data-based uniqueness in evaluating bilinear (two-way) chemical measurements

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.     

Thermally induced solid-state transformation of cimetidine. A multi-spectroscopic/chemometrics determination of the kinetics of the process and structural elucidation of one of the products as a stable N3-enamino tautomer

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.     

刮板输送机运行阻力分析研究

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     

铁路曲线状态下横向力的研究

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.     

紫外分光光度法测定地下水中NO-3—N的含量

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.     

Stability of steady nonisothermal flow in a vertical layer with permeable boundaries in the microconvection model

The problem of the stability of steady convective viscous incompressible fluid flow in a vertical layer with boundaries at different temperatures is considered in the presence of transverse blowing through the layer. The complete spectral problem is solved for a silicon melt. The neutral curve is constructed and the critical Grashof number is found. The numerical calculations show that the presence of transverse blowing significantly affects the flow stability. As compared with the Oberbeck-Boussinesq model, in the microconvection model the instability develops at lower wavenumbers.     

广义Sierpinski集

本文考察了包括平面上的各种广义 Cantor集 ,Sierpinski集和包括某些连续不可微曲线在内的广义 Sierpinski集 .由相似变换 ,导出了它们的级数表达式 ,并利用它和字符串空间的对应关系 ,计算出它们的Hausdorff维数     

关于振动模态参数识别的注记

回顾了关于整体拟合的分母多项式系数的争议,论证了Richardson文献中所提供的参数精度不高的原因并非源于Richardson的错误.指出一个经典考核算例的仿真传递函数生成公式不同于复模态理论提供的公式,讨论了两者之间的关系.表1,参9.