Search results for "Regression"
showing 10 items of 2619 documents
Solid sampling Fourier transform infrared determination of Mancozeb in pesticide formulations
2004
Abstract A series of approaches have been assayed for FTIR determination of Mancozeb in several solid commercial fungicides using different calibration strategies. The simplest procedure was based on the use of the ratio between the absorbance of a characteristic band of Mancozeb and that of a KSCN internal standard measured in the FTIR spectra obtained from KBr pellets. It was employed the quotient between peak height absorbance values at 1525 cm−1 for Mancozeb and 2070 cm−1 for KSCN. In these conditions a precision as relative standard deviation (RSD) of 0.6% and a relative accuracy error of 0.8% (w/w) were found. For complex formulations, containing other compounds with characteristic ab…
PLS-UV spectrophotometric method for the simultaneous determination of paracetamol, acetylsalicylic acid and caffeine in pharmaceutical formulations
1997
A simple and fast analytical procedure is proposed for the simultaneous determination of paracetamol, acetylsalicylic acid and caffeine in pharmaceuticals by means the partial least square treatment of the spectrophotometric absorbance data between 216 and 300 nm, taken at 5 nm intervals. The method involves the use of 8 standard mixtures of the three compounds assayed, considered at two concentration levels, and the measurement of the absorbance of samples in a 20% (v/v) ethanol in water solution previously filtered. In the analysis of real and synthetic samples precise and accurate values were obtained by the aforementioned procedure, providing in all cases variation coefficients and accu…
Estimation of ADME Properties in Drug Discovery: Predicting Caco-2 Cell Permeability Using Atom-Based Stochastic and Non-stochastic Linear Indices
2007
The in vitro determination of the permeability through cultured Caco-2 cells is the most often-used in vitro model for drug absorption. In this report, we use the largest data set of measured P(Caco-2), consisting of 157 structurally diverse compounds. Linear discriminant analysis (LDA) was used to obtain quantitative models that discriminate higher absorption compounds from those with moderate-poorer absorption. The best LDA model has an accuracy of 90.58% and 84.21% for training and test set. The percentage of good correlation, in the virtual screening of 241 drugs with the reported values of the percentage of human intestinal absorption (HIA), was greater than 81%. In addition, multiple …
Accommodative Stimulus-Response Curve with Emoji Symbols
2017
Purpose. To evaluate the static measurement of the accommodative stimulus-response curve with emoji symbols. Methods. The accommodative stimulus-response curve was measured in 18 subjects using a Hartmann-Shack sensor to obtain the objective accommodative response from the Zernike defocus term. Measurements were acquired at different accommodative demands, from 0 to 3 D with a step of 0.5 D. Detailed and nondetailed emoji targets were used with two different sizes, corresponding to the two most common visual angles used in smartphones. Results. A regression analysis was performed to fit the mean results obtained for each target. The determination coefficient was R2≥0.988 for all targets. Fo…
Information content of data and variables and types of weighting in least-squares regression methods
1990
Abstract Algorithms are given for evaluating the relative amount of useful information related to a particular parameter which is carried by individual data points and intervals of the variables. The algorithms provide an efficient means of using the information contained in a set of data. Applications to the optimization of weighting in regression methods are described. Several informational and combined informational-statistical types of weighting are studied as a means of improving the accuracy and precision of the parameters obtained by non-linear regression.
Multivariate standardisation for non-linear calibration range in the chemiluminescence determination of chromium.
2006
Multivariate standardisation is proposed for the successful chemiluminescence determination of chromium based on luminol-hydrogen peroxide reaction. In an extended concentration range, non-linear calibration model is needed. The studied instrumental situations were different detection cells, instruments, assemblies, time and their possible combinations. Chemiluminescence kinetic registers have been transferred using piecewise direct standardisation (PDS) method. The optimisation of transfer parameters has been carried out based on the prediction residual error criteria. Non-linear principal component regression (NL-PCR) and non-linear partial least square regression (NL-PLS) were chosen for…
Modeling solid waste decomposition.
2004
The hydrolysis rate coefficients of sorted municipal waste were evaluated from the biochemical methane potential tests using non-linear regression. A distributed mathematical model of anaerobic digestion of rich (food) and lean (non-food) solid wastes with greatly different rates of polymer hydrolysis/acidogenesis was developed to describe the balance between the rates of hydrolysis/acidogenesis and methanogenesis. The model was calibrated using previously published experimental data [Biores. Technol. 52 (1995) 245] obtained upon various initial food waste loadings. Simulations of one- and two-stage digestion systems were carried out. The results showed that initial spatial separation of fo…
Acoustic monitoring of the artificial airway — experimental results
1997
Non-invasive acoustic airway-monitoring was evaluated in an experimental study. Recording amplitude and travel time of acoustic pulse response, an acoustic pattern of airway's geometry was then calculated. Measurements on models and excised human cadaver lungs were performed to discover whether displacement or obstruction of the artificial airway could be detected by its acoustic equivalent. Regression analysis revealed a close correlation between displacement of tracheostomy tubes and the shifting of the acoustic area-distance function (corr. coeff.: 0.97-1) and an adequate correlation between acoustic and planimetrical determination of cross-sectional area within the tubes (corr. coeff.: …
Mapping landscape canopy nitrogen content from space using PRISMA data
2021
Abstract Satellite imaging spectroscopy for terrestrial applications is reaching maturity with recently launched and upcoming science-driven missions, e.g. PRecursore IperSpettrale della Missione Applicativa (PRISMA) and Environmental Mapping and Analysis Program (EnMAP), respectively. Moreover, the high-priority mission candidate Copernicus Hyperspectral Imaging Mission for the Environment (CHIME) is expected to globally provide routine hyperspectral observations to support new and enhanced services for, among others, sustainable agricultural and biodiversity management. Thanks to the provision of contiguous visible-to-shortwave infrared spectral data, hyperspectral missions open enhanced …
A series expansion of the extended Debye-H�ckel equation and application to linear prediction of stability constants
1996
The Debye-Hückel semiempirical extended equation is frequently used to calculate activity coefficients of chemical species and equilibrium constants at ionic strengths different from those used in their experimental evaluation. A series expansion of the extended Debye-Hückel equation is proposed here and checked with experimental data taken from the literature. The expansion is linear in the ionic parameters and yields a geometrical series which converges rapidly and that enables the accurate calculation of interpolated and extrapolated activity coefficients and equilibrium constants by simple and multiple linear regression without previous knowledge of the ionic parameters.