Search results for "partial least squares regression"
showing 10 items of 122 documents
Selection of calibration set samples in determination of olive oil acidity by partial least squares–attenuated total reflectance–Fourier transform in…
2003
Abstract A chemometric method has been applied for the determination of the free fatty acid (FFA) concentration in commercial olive oil samples of different types an origins by using Fourier transform infrared spectroscopy (FTIR) attenuated total reflectance (ATR) measurements. Different methods for selecting the training set, including hierarchical cluster analysis, were applied and compared. The prediction capabilities of partial least squares (PLS) multivariate calibration methods, net analyte signal (NAS) preprocessing followed by PLS or classical least squares (CLS) regression method of ATR–FTIR data were evaluated. Several aspects, like spectral range to be considered, different prepr…
Determination of edible oil parameters by near infrared spectrometry
2006
Abstract A chemometric method has been developed for the determination of acidity and peroxide index in edible oils of different types and origins by using near infrared spectroscopy (NIR) measurements. Different methods for selecting the calibration set, after an hierarchical cluster analysis, were applied. After discrimination of olive oils from maize, seed and sunflower, the prediction capabilities of partial least squares (PLS) multivariate calibration of NIR data were evaluated. Several preprocessing alternatives (first derivative, multiplicative scatter correction, vector normalization, constant offset elimination, mean centering and standard normal variate) were investigated by using…
Characterization of estuarine sediments by near infrared diffuse reflectance spectroscopy
2008
It has been developed a partial least squares near infrared (PLS-NIR) method for the determination of estuarine sediment physicochemical parameters. The method was based on the chemometric treatment of first order derivative reflectance spectra obtained from samples previously lyophilized and sieved through a lower than 63 μm grid. Spectra were scanned from 833 to 2976 nm, averaging 36 scans per spectrum at a resolution of 8 cm-1, using chromatographic glass vials of 9.5 mm internal diameter as measurement cells. Models were built using reference data of 31 samples selected through the use of a hierarchical cluster analysis of NIR spectra of sediments obtained from the Ria de Arousa estuary…
Relationship between employee involvement and lean manufacturing and its effect on performance in a rigid continuous process industry
2015
Relationship between employee involvement and lean manufacturing and its effect on performance in a rigid continuous process industry DOI: 10.1080/00207543.2014.975852 Juan A. Marin-Garciaa* & Tomas Bonaviab Received: 1 Aug 2013 Accepted: 30 Sep 2014 Published online: 04 Nov 2014 This research aims to empirically test the effect of employee involvement on lean manufacturing (LM), and the effect of LM on production outcomes. Employee involvement is operationalised through four related variables: empowerment, training, contingent remuneration and communication. The effects are tested by recording management perceptions in a different industrial sector from those usually studied in previous re…
Flow-Injection Solid Phase Partial Least-Squares Spectrophotometric Simultaneous Determination of Iron, Nickel and Zinc
2002
A PLS-2 multivariate calibration method has been developed for the simultaneous determination of iron, nickel and zinc in ternary mixtures by solid phase spectrophotometry associated with flow injection analysis. Fe(II), Ni(II) and Zn(II) form color complexes with 1-(2-thiazolylazo)-2-naphthol (TAN), immobilized on a C18 bonded silica support, at pH 6.4. The proposed procedure is based on the different reaction/retention ratios of the studied ions on the solid support. Bilinear spectrophotometric data of the analytes, fixed in the solid support, were recorded in the 400-800 nm wavelength range as a function of time and a partial least squares (PLS-2) algorithm was used to predict results of…
Fourier transform infrared spectrometric strategies for the determination of Buprofezin in pesticide formulations
2002
Abstract Two different strategies for Buprofezin determination, an off-line extraction and stopped-flow determination and an automated procedure, based on the on-line extraction of Buprofezin samples with chloroform and flowing action analysis–fourier transform infrared (FIA–FT-IR) spectrometric measurement of the extracts, have been developed. For the treatment of the off-line extraction mode, data a three-factor partial least squares (PLSs) calibration was developed, using the region from 1465.7 to 1342.3 cm−1 with a single point baseline defined at 2051.9 cm−1 and based on the use of chloroform solutions of Buprofezin. The method provides a R.S.D. On the other hand, the recommended FIA m…
Chemical Element Levels as a Methodological Tool in Forensic Science
2014
The aim of the present study was to define a methodological strategy for understanding how post- mortem degradation in bones caused by the environment affects different skeletal parts and for selecting better preserved bone samples, employing rare earth elements (REEs) analysis and multivariate statistics. To test our methodological proposal the samples selected belong to adult and young individuals and were obtained from the Late Roman Necropolis of c/Virgen de la Misericordia located in Valencia city centre (Comunidad Valenciana, Spain). Therefore, a method for the determination of major elements, trace elements and REEs in bone remains has been developed employing Inductively-Coupled Pla…
Emerging Economies’ Institutional Quality and International Competitiveness: A PLS-SEM Approach
2021
The home country’s institutional framework determines the capacity to compete in the global arena. This paper discusses the linkage between institutional quality (IQ) and international competitiveness (IC). We measured institutions’ quality in emerging economies through the use of selected indicators between 2007–2017. To evaluate the proposed IQ constructs and their relationship with IC, we applied partial least squares – structural equation modeling (PLS-SEM) analysis. The model outcomes suggest that political and lack of systemic conditions have a significant and negative effect on international competitiveness, while science, technology, engineering and mathematics (STEM) resource condi…
Multivariate versus univariate calibration for nonlinear chemiluminescence data
2001
Abstract Multivariate calibration is tested as an alternative to model chromium(III) concentration versus chemiluminescence registers obtained from luminol-hydrogen peroxide reaction. The multivariate calibration approaches included have been: conventional linear methods (principal component regression (PCR) and partial least squares (PLS)), nonlinear methods (nonlinear variants and variants of locally weighted regression) and linear methods combined with variable selection performed in the original or in the transformed data (stepwise multiple linear regression procedure). Both the direct and inverse univariate approaches have been also tested. The use of a double logarithmic transformatio…
Semisupervised nonlinear feature extraction for image classification
2012
Feature extraction is of paramount importance for an accurate classification of remote sensing images. Techniques based on data transformations are widely used in this context. However, linear feature extraction algorithms, such as the principal component analysis and partial least squares, can address this problem in a suboptimal way because the data relations are often nonlinear. Kernel methods may alleviate this problem only when the structure of the data manifold is properly captured. However, this is difficult to achieve when small-size training sets are available. In these cases, exploiting the information contained in unlabeled samples together with the available training data can si…