Search results for " Least squares"
showing 10 items of 223 documents
Fast-multivariate optimization of chiral separations in capillary electrophoresis: Anticipative strategies
2014
Abstract The design of experiments (DOE) is a good option for rationally limiting the number of experiments required to achieve the enantioresolution (Rs) of a chiral compound in capillary electrophoresis. In some cases, the modeled Rs after DOE analysis can be unsatisfactory, maybe because the range of the explored factors (DOE domain) was not the adequate. In these cases, anticipative strategies can be an alternative to the repetition of the process (e.g. a new DOE), to save time and money. In this work, multiple linear regression (MLR)-steepest ascent and a new anticipative strategy based on a multiple response-partial least squares model (called PLS2-prediction) are examined as post-DOE…
Comparative study of reflectance cells for PLS-FTIR determination of sugars in soft drinks
1998
A comparative study has been carried out between a horizontal Attenuated Total Reflectance (h-ATR) cell and a Cylindrical Internal Reflection (CIR) cell (CIRCLE cell). Both cells were employed for the determination of glucose, fructose, sucrose and total sugar in soft drinks and fruit juices using absorbance measurements at two resolution values (4 and 8 cm–1). Data were processed by Partial Least Squares regression (PLS). Using a resolution of 4 cm–1, mean relative errors of prediction from 0.6% to 1.3% were obtained using the horizontal-ATR and from 0.6% to 2.8% using the CIRCLE cell resulting in a limit of detection from 0.03% in the case of sucrose to 0.21% for total sugar for the h-ATR…
Analyser of chromium and/or cobalt
2003
Abstract Two stopped-flow manifolds have been proposed for individual or simultaneous determination of chromium and cobalt in water samples. Automated procedures based on multicommutation systems have emphasised the differences of their catalytic effect in luminol–hydrogen peroxide chemiluminescence reaction. A more rapid decay of signal was observed for Co for both configurations (flow injection or continuous injection). The influence of chemical and hydrodynamic variables has been studied in order to establish the robustness of method. The analysis rate was lower 1.5 min per replicate. Chemometric tools have been employed for the resolution of their contributions. Partial least squares (P…
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…
Detecting tri‐stability of 3D models with complex attractors via meshfree reconstruction of invariant manifolds of saddle points
2018
In mathematical modeling it is often required the analysis of the vector field topology in order to predict the evolution of the variables involved. When a dynamical system is multi-stable the trajectories approach different stable states, depending on the initialmconditions. The aim of this work is the detection of the invariant manifolds of thesaddle points to analyze the boundaries of the basins of attraction. Once that a sufficient number of separatrix points is found a Moving Least Squares meshfree method is involved to reconstruct the separatrix manifolds. Numerical results are presented to assess the method referring to tri-stable models with complex attractors such as limit cycles o…
Coefficient shifts in geographical ecology: an empirical evaluation of spatial and non-spatial regression
2009
12 páginas, 4 figuras, 3 tablas.
The Real Effects of Bank Branch Deregulation at Various Stages of Economic Development: The European Experience
2011
This paper provides evidence on the links between financial deregulation and economic performance in a European context. Specifically, we study the relaxation of bank branching restrictions in Spain which triggered off a remarkable inter-regional expansion of savings banks which was coincidental with an unprecedented period of sustained growth. Although related questions have been largely investigated for the US, the European experiences remain largely unexplored. An additional contribution is the use of quantile regression techniques which, unlike traditional OLS regression analysis, do not focus on the “average effect for the average province”. This change of focus helps to overcome the d…
Antecedentes y efectos del burnout-engagement del vendedor
2012
ResumenEl burnout o «síndrome del trabajador quemado» ha demostrado tener una gran importancia en el campo de las ventas. Sin embargo, no se han encontrado estudios que analicen en profundidad su opuesto, el engagement. El presente trabajo trata de profundizar en los antecedentes y efectos de un concepto integrador de ambos opuestos denominado burnout-engagement. Para ello, se realiza un estudio sobre 107 vendedores de distintos sectores. Los datos obtenidos, dado el tamaño de la muestra, son analizados mediante el sistema PLS. En lo relativo a antecedentes, los resultados demuestran una relación significativa entre el conflicto de rol y el burnout-engagement, la ambigüedad de rol y el burn…