Search results for "regression"
showing 10 items of 2619 documents
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…
Fourier transform infrared determination of Fluometuron in pesticide formulations
2003
Abstract A single method has been developed for Fourier transform infrared (FTIR) determination of Fluometuron in pesticide formulations. Samples were ultrasonically shaken with CHCl3 for 5 min and the FTIR spectra of sample extracts and standards were obtained at a nominal resolution of 4 cm−1 from 4000 to 900 cm−1 accumulating 25 scans. Fluometuron determination is based on the measure of peak area from 1342 to 1321 cm−1 corrected using a baseline defined from 1352 to 1294 cm−1. This procedure provided a limit of detection of 6.5 μg g−1, a sensitivity of 0.852 a.u. g mg−1 for a pathlength of 0.11 mm, a relative standard deviation of 1.6% for three analysis of a sample containing 50.4% (w/…
Identification of Leguminosae gums and evaluation of carob-guar mixtures by capillary zone electrophoresis of protein extracts.
2002
A procedure for the extraction and capillary zone electrophoresis (CZE) separation of proteins from carob, guar and tara gums in a background electrolyte (BGE) of pH 9 containing 0.1% polyvinyl alcohol is described. The CZE protein profiles exhibit characteristic peaks for each one of the Leguminosae gums, which can be used to construct models capable of identifying samples of carob, guar and tara gums, and predicting the guar content in binary carob-guar mixtures of different geographical origin and harvested in different years. The classification and prediction models are constructed by using linear discriminant analysis (LDA) and multiple linear regression (MLR), respectively. An excelle…
Study on the determination of trace rhenium (VII) by the adsorption differential pulse polarography
1989
The determination of trace rhenium (VII) by differential pulse polarography in the system of H2SO4-(NHsOH)2 · H2SO4-TeO2−4 is markedly improved by the addition of Nitron, which is adsorbed on the surface of mercury electrode. The limit of detection is down to 2 × 1010 M. The adsorptive peak potential is −0.80 V (vs. SCE). In the ranges of 5 × 1010—10−8, 1 × 10−5—10−7 and 1 × 10−7—10−6M, there are good linear relationships between the peak current increment and the concentration, of which the relative standard deviations are 9.5, 6.6, 1.8% respectively with the correlation coefficients of linear regression of 0.995–0.999. The results relating to this polarographic wave show that it is an ads…
Quantification of low levels of amorphous content in sucrose by hyperDSC.
2005
A method was developed for the quantification of low levels of amorphous content in sucrose with hyperDSC. The method was based on the fact that the change of specific heat at the glass transition is linearly proportional to the amorphous content. It was found out that as annealing time increased, the glass transition temperature moved to a higher temperature and the change of specific heat increased. DeltaC(p) for annealed totally amorphous sucrose was 0.761+/-0.012 Jg(-1) degrees C(-1). Synthetic mixtures with various proportions of crystalline and amorphous sucrose were prepared. The following linear regression between DeltaC(p) and amorphous content was obtained: DeltaC(p)=0.0075x - 0.0…
Multicommutation as an environmentally friendly analytical tool in the hydride generation atomic fluorescence determination of tellurium in milk.
2003
The aim of this study is to show the advantages of the emerging multicommutation methodology based on the use of solenoid valves for Te determination in milk by hydride generation atomic fluorescence spectrometry (HG-AFS). The delivery of a series of alternating sequential insertions of small volumes of samples and reagents gives rise to new hydrodynamic processes and exciting analytical potentials by controlling the time of flow through the on/off-switched solenoid valves. This drastically reduces the reagent consumption by a factor of 4 and the generation of effluents (590 mL h(-1) instead of 750 mL h(-1) generated by the continuous-mode measurement) and also provides an improvement in th…
Risk factors for residual disease at re-TUR in a large cohort of T1G3 patients
2021
Item does not contain fulltext Introduction and objectives: The goals of transurethral resection of a bladder tumor (TUR) are to completely resect the lesions and to make a correct diagnosis in order to adequately stage the patient. It is well known that the presence of detrusor muscle in the specimen is a prerequisite to minimize the risk of under staging. Persistent disease after resection of bladder tumors is not uncommon and is the reason why the European Guidelines recommended a re-TUR for all T1 tumors. It was recently published that when there is muscle in the specimen, re-TUR does not influence progression or cancer specific survival. We present here the patient and tumor factors th…