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1.
J. J. Berzas Nevado J. Rodríguez Flores G. Castaeda Pealvo 《Analytica chimica acta》1997,340(1-3):257-265
Two spectrophotometric methods for the determination of Ethinylestradiol (ETE) and Levonorgestrel (LEV) by using the multivariate calibration technique of partial least square (PLS) and principal component regression (PCR) are presented. In this study the PLS and PCR are successfully applied to quantify both hormones using the information contained in the absorption spectra of appropriate solutions. In order to do this, a calibration set of standard samples composed of different mixtures of both compounds has been designed. The results found by application of the PLS and PCR methods to the simultaneous determination of mixtures, containing 4–11 μg ml−1 of ETE and 2–23 μg ml−1 of LEV, are reported. Five different oral contraceptives were analyzed and the results were very similar to that obtained by a reference liquid Chromatographic method. 相似文献
2.
Alain Valtz 《Thermochimica Acta》2006,443(2):251-255
Densities of the water + ethylenediamine binary system were measured at atmospheric pressure over the whole range of compositions at temperatures from 288.15 to 353.15 K using an Anton Paar digital vibrating glass tube densimeter. Density increases with water content. The experimental excess molar volume data have been correlated with the Redlich-Kister equation, and partial molar volumes calculated at infinite dilution for each component. 相似文献
3.
This paper presents a multivariate regression method for the prediction of maltose concentration in aqueous solutions. For this purpose, time and frequency domain of ultrasonic signals are analyzed. It is shown, that the prediction of concentration at different temperatures is possible by using several multivariate regression models for individual temperature points. Combining these models by a linear approximation of each coefficient over temperature results in a unified solution, which takes temperature effects into account. The benefit of the proposed method is the low processing time required for analyzing online signals as well as the non-invasive sensor setup which can be used in pipelines. Also the ultrasonic signal sections used in the presented investigation were extracted out of buffer reflections which remain primarily unaffected by bubble and particle interferences. 相似文献
4.
Thermally transferred optically stimulated luminescence (TT-OSL) dating protocols have been suggested as a means of extending the age range of luminescence dating. Several studies demonstrate that TT-OSL signals increase with large radiation doses (>2000 Gy) and yet, few studies report older TT-OSL ages (>400 Gy) in agreement with independent absolute age control. In one such study, agreement with independent chronology was only achieved for the old samples by implementing a pulsed-irradiation procedure. Pulsed-irradiation is suggested to compensate for dose rate dependent competition effects by dividing the laboratory irradiation into discrete irradiation steps interspersed with heat treatments. However, every inter-step heat treatment has the potential to anneal part of the TT-OSL dating signal. This study compares constant- and pulsed-irradiation TT-OSL protocols and investigates the degree of partial thermal annealing. The results suggest that almost all of the difference in outcome between constant- and pulsed-irradiation protocols can be explained by partial annealing of the TT-OSL signal rather than by competition effects. Partial annealing distorts the laboratory dose response curve but has no impact on the natural signal, resulting in unreliable equivalent dose estimates. This means that pulsed-irradiation procedures may not be viable for TT-OSL dating measurements. Future studies implementing pulsed-irradiation procedures should carefully consider the extent to which inter-step thermal treatments partially anneal the signal. 相似文献
5.
NIR光谱的LLE-PLS非线性建模方法及应用 总被引:4,自引:1,他引:4
传统的偏最小二乘(PLS)建模方法不能有效反映近红外(NIR)光谱与分析样本的物理化学性质之间存在的非线性关系。局部线性嵌入(LLE)是一种新的非线性降维方法,属于流形学习方法,它能有效地发现高维数据中的本真低维结构。结合LLE和PLS,提出一种近红外光谱非线性建模的新方法,并用于建立丹参多酚酸盐柱层析过程中丹酚酸B含量的回归校正模型。该方法首先用LLE对NIR光谱数据降维,再用PLS建立校正模型。结果表明,与多元散射校正、一阶导等预处理方法结合PLS建模比较,参数优化后的LLE-PLS方法能更准确地预测丹酚酸B的含量,其交叉验证均方根误差为0.128 mg·mL-1、决定系数为0.998 8。基于NIR光谱及LLE-PLS建模,可实现丹参多酚酸盐柱层析过程的在线检测。 相似文献
6.
建立了ICP-AES测定高浓度基体中微量杂质元素的偏最小二乘方法(PLS)。研究表明,PLS能有效校正高浓度基体干扰引起的测量误差,比多元光谱拟合法(MSF)能承受的基体浓度更高。当基体与杂质的含量比为1 000∶1~20 000∶1时,该方法的加标回收率在95%~105%之间。对于干扰效应与基体浓度呈非线性相关的体系,普通PLS的预测准确度不高,但使用基于样品浓度矩阵变换的偏最小二乘法(LIN-PPLS),则明显改善了预测的准确度。分别用MSF、普通PLS和LIN-PPLS对水系沉积物国家标准物质GBW07312中的Co,Pb和Ga进行测定,结果表明,LIN-PPLS的预测准确度优于普通PLS,而普通PLS的预测准确度优于MSF。 相似文献
7.
多维漫透射光谱技术利用传统的近红外透射测量方式,增加一维扫描装置,获得透射方向上的径向光谱,并利用多点漫透射光谱对复杂混合溶液进行成分分析。实验设计了基于氙灯光源、精密电控平移台和光谱仪的检测装置,选用Intralipid-20%,India Ink和C6H12O6共配制225种成分含量不同的混合溶液,分别测量距其透射中心点0~5 mm(间隔0.25 mm)范围内的20点漫透射光谱信号,以偏最小二乘回归算法对单点和多点漫透射光谱信号进行建模分析。实验得到India Ink含量和Intralipid-20%含量随漫透射光位置点的增加建模及预测的精度提高,C6H12O6含量随漫透射光位置点的增加建模及预测精度没有明显变化。结果表明,增加不同位置信息的漫透射光谱信号,能够提高复杂混合溶液中强吸收物质和强散射物质的信噪比,对于弱吸收弱散射物质有望在提升系统精度的前提下提高其预测能力。 相似文献
8.
为了实现快速检测果珍中的二氧化钛含量,提出了应用近红外光谱技术结合化学计量学的快速检测方法。研究采用了320份果珍样本进行光谱特性的检测,其中200个样本用来建模,120个样本进行预测。首先比较了标准正态变量校正(SNV)、变量标准化(Normalize)、多元散射校正(MSC)等6种不同的数据预处理方法对偏最小二乘法(PLS)建模预测效果的影响。然后将PLS模型与应用主成分(PC)建立的主成分-神经网络校正(PC-ANN)模型进行比较。结果表明,MSC预处理的效果最好,PLS模型的最佳主成分数为7,预测值与标准值的相关系数R2达0.900 8,预测标准误差RMSEP为0.05。PC-ANN模型预测值与标准值的R2为0.868 4,RMSEP为0.04。说明PLS模型比PC-ANN模型的预测效果好。同时本研究也说明能够应用可见/近红外技术对二氧化钛进行快速定量测定。 相似文献
9.
This paper derives new discrete integrable system based on discrete
isospectral problem. It shows that the hierarchy is completely
integrable in the Liouville sense and possesses bi-Hamiltonian
structure. Finally, integrable couplings of the obtained system is
given by means of semi-direct sums of Lie algebras. 相似文献
10.
Leaning upon the Fock method of the stereographic projection of the three-dimensional momentum space onto the four-dimensional unit sphere the possibility of the analytical solving of the Lippmann–Schwinger integral equation for the partial wave two-body Coulomb transition matrix at the ground bound state energy has been studied. In this case new expressions for the partial p-, d- and f-wave two-body Coulomb transition matrices have been obtained in the simple analytical form. The developed approach can also be extended to determine analytically the partial wave Coulomb transition matrices at the energies of excited bound states. 相似文献