Search results for " Regression"
showing 10 items of 1835 documents
Determination of sugars in depilatory formulations: a green analytical method employing infrared detection and partial least squares regression.
2011
A green analytical method was developed for the analysis of sugar-based depilatories. Three independent partial least squares (PLS) regression models were built for the direct determination of glucose, fructose and maltose without any sample pretreatment based on their attenuated total reflectance - Fourier transform infrared (ATR-FTIR) spectra. The models showed adequate prediction capabilities with root-mean-square-errors of prediction ranging from 7.04 to 12.55 mg sugar g(-1) sample. As a reference procedure, gradient liquid chromatography with on-line infrared detection, employing background correction based on cubic smoothing splines, was used. The analysis revealed changes in the suga…
ATR-FTIR spectroscopy as a quality control system for monitoring the storage of blood products
2021
Blood screening is a fundamental part of disease diagnosis and monitoring health. Attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy offers an innovative solution to streamlining the process, especially for multianalyte detection in aqueous samples. However, samples always undergo a storage phase before they are processed for testing and blood transfusion. In this study, we investigated the effect of standard storage procedures on the macromolecular composition of whole blood, and plasma collected in blood tubes for diagnostic purposes and initial screening of blood products. Periphery blood samples were collected from 10 volunteers and then stored for 14 days a…
Monitoring of chicken meat freshness by means of a colorimetric sensor array
2012
A new optoelectronic nose to monitor chicken meat ageing has been developed. It is based on 16 pigments prepared by the incorporation of different dyes (pH indicators, Lewis acids, hydrogenbonding derivatives, selective probes and natural dyes) into inorganic materials (UVM-7, silica and alumina). The colour changes of the sensor array were characteristic of chicken ageing in a modi¿ed packaging atmosphere (30% CO2¿70% N2). The chromogenic array data were processed with qualitative (PCA) and quantitative (PLS) tools. The PCA statistical analysis showed a high degree of dispersion, with nine dimensions required to explain 95% of variance. Despite this high dimensionality, a tridimensional re…
Multivariate data analysis of quality parameters in drinking water.
2001
The quality of water destined for human consumption has been treated as a multivariate property. Since most of the quality parameters are obtained by applying analytical methods, the routine analytical laboratory (responsible for the accuracy of analytical data) has been treated as a process system for water quality estimation. Multivariate tools, based on principal component analysis (PCA) and partial least squares (PLS) regression, are used in the present paper to: (i) study the main factors of the latent data structure and (ii) characterize the water samples and the analytical methods in terms of multivariate quality control (MQC). Such tools could warn of both possible health risks rela…
Comparison of two partial least squares infrared spectrometric methods for the quality control of pediculosis lotions.
2006
Two vibrational spectroscopy procedures have been developed and compared for the direct and simultaneous determination of piperonyl butoxide and tetramethrin, the active ingredients of alcoholic capillary lotions, for hair pediculosis diseases. Nine lotions, purchased from the Spanish market, were analyzed using both, attenuated total reflectance (ATR) and transmission FT-IR measurements, and based on the use of partial least squares (PLS) multivariate calibration. A reduced set of 15 matched standards (11 for calibration and 4 for validation) was employed using both measurement modes. The spectral wave number ranges between 1757 and 1712 cm(-1) was selected to determine tetramethrin by bot…
Chromatographic multivariate quality control of pharmaceuticals giving strongly overlapped peaks based on the chromatogram profile
2004
In the present paper, the simultaneous quantification of two analytes showing strongly overlapped chromatographic peaks (alpha = 1.02), under the assumption that both available equipment and training of the laboratory staff are basic, is studied. A pharmaceutical preparation (Mutabase) containing two drugs of similar physicochemical properties (amitriptyline and perphenazine) is selected as case of study. The assays are carried out under realistic working conditions (i.e. routine testing laboratories). Uncertainty considerations are introduced in the study. A partial least squares model is directly applied to the chromatographic data (with no previous signal transformation) to perform quali…
Breast Cancer Patients' Fear of Treatment: Results from the Multicenter Longitudinal Study BRENDA II.
2015
Background: Fear of cancer treatment can become overwhelming. It is important to understand what patients are mainly afraid of and what factors are correlated with intense fear of treatment. Methods: Patients with primary breast cancer (n = 761) completed questionnaires about fear of treatment before surgery (t1), and before (t2) and after (t3) adjuvant treatment. Psychological co-morbidity was assessed using the Patient Health Questionnaire. Logistic regression identified predictors of intense fear of treatment. Results: Patients were most afraid of chemotherapy (mean score 3.5), and fear remained high throughout follow-up; fear of radiotherapy and of surgery was lower and decreased over t…
Individuazione dei trend di pioggia per la Sicilia utilizzando un approccio multiscala basato sulla regressione a quantili
2021
Uno degli argomenti più attuali e controversi è se, negli ultimi decenni, le piogge intense siano diventate più frequenti come possibile effetto dei cambiamenti climatici. La centralità del tema è giustificata dalle gravi conseguenze che l’intensificarsi di questi fenomeni, in frequenza e magnitudo, potrebbe indurre a livello sociale ed economico. Basti pensare alle “flash flood”, spesso causate da eventi di precipitazione con una forte componente convettiva, che in ambito urbano mettono in crisi i sistemi di drenaggio arrecando rilevanti danni e, purtroppo, anche perdite di vite umane. La Sicilia è stata spesso monitorata con l’obiettivo di individuare delle mutazioni significative del cic…
Polarity study of ionic liquids with the solvatochromic dye Nile Red: a QSPR approach using in silico VolSurf+ descriptors
2016
The in silico VolSurfþ descriptors, accounting for both cationic and anionic structural features of ionic liquids (ILs) were used to develop a Partial Least Squares (PLS) model able to establish a Quantitative Structure Property Relationship (QSPR) correlation with their solvatochromic dye Nile Red polarity. The PLS model allowed prediction of ENR values for 116 ILs providing an in silico ILs polarity database.
Biopartitioning micellar chromatoraphy to predict blood to lung, blood to liver, blood to fat and blood to skin partition coefficients of drugs
2009
[EN] Biopartitioning micellar chromatography (BMC), a mode of micellar liquid chromatography that uses micellar mobile phases of Brij35 in adequate experimental conditions, has demonstrated to be useful in mimicking the drug partitioning process into biological systems. In this paper, the usefulness of BMC for predicting the partition coefficients from blood to lung, blood to liver. blood to fat and blood to skin is demonstrated. PLS2 and multiple linear regression (MLR) models based on BMC retention data are proposed and compared with other ones reported in bibliography. The proposed models present better or similar descriptive and predictive capability. (C) 2008 Elsevier B.V. All rights r…