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11.
Changeable size moving window partial least squares (CSMWPLS) and searching combination moving window partial least squares (SCMWPLS) are proposed to search for an optimized spectral interval and an optimized combination of spectral regions from informative regions obtained by a previously proposed spectral interval selection method, moving window partial least squares (MWPLSR) [Anal. Chem. 74 (2002) 3555]. The utilization of informative regions aims to construct better PLS models than those based on the whole spectral points. The purpose of CSMWPLS and SCMWPLS is to optimize the informative regions and their combination to further improve the prediction ability of the PLS models. The results of their application to an open-path (OP)/FT-IR spectra data set show that the proposed methods, especially SCMWPLS can find out an optimized combination, with which one can improve, often significantly, the performance of the corresponding PLS model, in terms of low prediction error, root mean square error of prediction (RMSEP) with the reasonable latent variable (LVs) number, comparing with the results obtained using whole spectra or direct combination of informative regions for a compound. Regions consisting of the combinations obtained can easily be explained by the existence of IR absorption bands in those spectral regions. 相似文献
12.
Summary A program is described which calculates the number of effective plates and the coating efficiency over the entire range of a test chromatogram. The peak widths at half height are derived by assuming a Gaussian peak shape. The interpolated peak width at k=4 is used for computing a standardized number of effective plates. Plate height, column permeability, overall performance and a novel parameter called sampling efficiency are calculated from 5 other figures — i. e. carrier gas code, pressure drop, column length, column temperature and particle size.Dedicated to Dr. Leslie S. Ettre for his 60th birthday. 相似文献
13.
Isothermal pressure (p)-mass fraction (w) phase diagrams were measured for CO2 + tetradecanoic acid at six temperatures from 328.2 K to 373.2 K and for CO2 + docosane at four temperatures from 343.2 K to 393.2 K as well as isobaric temperature (T)-mass fraction (w) phase diagrams for both systems at 34.5 MPa. In addition the isothermal and isobaric Gibbs phase prisms at 373.2 K and 34.5 MPa respectively were determined for the ternary system CO2 + tetradecanoic acid + docosane, and and isobaric miscibility window was found between 333 K and 385 K at 34.5 MPa. 相似文献
14.
Time shift correction in second-order liquid chromatographic data with iterative target transformation factor analysis 总被引:4,自引:0,他引:4
Enric Comas R. Ana Gimeno Joan Ferr Rosa M. Marc Francesc Borrull F. Xavier Rius 《Analytica chimica acta》2002,470(2):607-173
When the generalized rank annihilation method (GRAM) is applied to liquid chromatographic data with diode-array detection, an important problem is the time shift of the peak of the analyte in the test sample. This problem leads to erroneous predictions. This time shift can be corrected if a time window is selected so that the chromatographic profile of the analyte in the test sample is trilinear with the peak of the analyte in the calibration sample. In this paper we present a new method to determine when this condition is met. This method is based on the curve resolution with iterative target transformation factor analysis (ITTFA). The calibration and test matrices are independently decomposed into profiles and spectra, and aligned before GRAM is applied. Here we study two situations: first, when the calibration matrix has one analyte and second, when it has two analytes. When the calibration matrix has two analytes, we selectively determine the time window for the analyte to be quantified. There were considerably fewer prediction errors after correction. 相似文献
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Miaofeng Huang Aihua Tang Zhenyin Wang Jingkun Shi Xiaoping Jiang Chubin Wan Xin Ju 《中国化学快报》2021,32(6):2009-2012
Aqueous electrolytes are safe, economic, and environmentally friendly. However, they have a narrow potential window. On the other hand, organic electrolytes exhibit good thermodynamic stability but are inflammable and moisture sensitive. In this study, we prepared water–PEG–lipid ternary electrolytes(TEs). To combine the advantages of water, polyethylene glycol(PEG) and propylene carbonate(PC). The nonflammable mixed electrolytes exhibited a wide potential window of about 2.8 V due to the beneficial effects of PEG and PC. Using these TEs, a lithium manganate–active carbon ion capacitor could be operated at 2.4 V with an energy density of 32 Wh/kg, based on the total active electrode material(current density of 3.3 m A/cm~2). This value was significantly higher than that achieved using an aqueous electrolyte, thereby rationalizing the higher energy density. 相似文献
18.
Leendert Vergeynst Herman Van Langenhove Pieter Joos Kristof Demeestere 《Analytica chimica acta》2013
Uniform guidelines for the data processing and validation of qualitative and quantitative multi-residue analysis using full-spectrum high-resolution mass spectrometry are scarce. 相似文献
19.
Ideal optomechanically induced transparency generation in a cavity optoelectromechanical system 下载免费PDF全文
《中国物理 B》2021,30(10):104211-104211
The ideal optomechanically induced transparency effects of an output probe field are investigated in a cavity optoelectromechanical system, which is composed of an optical cavity, a charged mechanical resonator, and a charged object.Although the charged mechanical resonator damping rate is nonzero, the ideal optomechanically induced transparency can still appear due to the non-rotating wave approximation effect in the system. The location of optomechanically induced transparency dip can be controlled via the Coulomb coupling strength. In addition, we find that both the transparency window width and the maximum dispersion curve slope are closely related to the optical cavity decay rate. 相似文献
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