Search results for "deviation"

New approaches based on modified Gaussian models for the prediction of chromatographic peaks

2012

Abstract The description of skewed chromatographic peaks has been discussed extensively and many functions have been proposed. Among these, the Polynomially Modified Gaussian (PMG) models interpret the deviations from ideality as a change in the standard deviation with time. This approach has shown a high accuracy in the fitting to tailing and fronting peaks. However, it has the drawback of the uncontrolled growth of the predicted signal outside the elution region, which departs from the experimental baseline. To solve this problem, the Parabolic-Lorentzian Modified Gaussian (PLMG) model was developed. This combines a parabola that describes the variance change in the peak region, and a Lor…

Prediction of peak shape as a function of retention in reversed-phase liquid chromatography

2004

Optimisation of the resolution of multicomponent samples in HPLC is usually carried out by changing the elution conditions and considering the variation in retention of the analytes, to which a standard peak shape is assigned. However, the change in peak shape with the composition of the mobile phase can ruin the optimisation process, yielding unexpected overlaps in the experimental chromatograms for the predicted optimum, especially for complex mixtures. The possibility of modelling peak shape, in addition to peak position, is therefore attractive. A simple modified-Gaussian model with a parabolic variance, which is a function of conventional experimental parameters: retention time (tR), p…

Target analysis of primary aromatic amines combined with a comprehensive screening of migrating substances in kitchen utensils by liquid chromatograp…

2015

An analytical strategy including both the quantitative target analysis of 8 regulated primary aromatic amines (PAAs), as well as a comprehensive post-run target screening of 77 migrating substances, was developed for nylon utensils, using liquid chromatography-orbitrap-high resolution mass spectrometry (LC-HRMS) operating in full scan mode. The accurate mass data were acquired with a resolving power of 50,000 FWHM (scan speed, 2 Hz), and by alternating two acquisition events, ESI+ with and without fragmentation. The target method was validated after statistical optimization of the main ionization and fragmentation parameters. The quantitative method presented appropriate performance to be u…

FIA-Chemiluminescence Determination of Acridine Yellow

2003

Abstract The direct determination of yellow acridine is performed by a FIA assembly on the basis of the oxidation of the acridine. The acridine solution is injected into a pure water stream. This solution merges with the oxidant solution (KMnO4 in sulfuric acid medium) and the resulting chemiluminescence allows the method to be applied over the range 0.01–100 mg L−1 of acridine with a correlation coefficient of 0.9997. The relative standard deviation (%) is 1.6 and the sample throughput 60 h−1. The influence of foreign substances is also tested. The new method is applied to the determination of yellow acridine in waste waters.

Comparison of spectrophotometric and HPLC methods for determining sialic acid in infant formulas

2011

Abstract Two methods for determining sialic acid in infant formulas – spectrophotometry and HPLC with fluorescence detection – have been optimised and validated, the first one allows to determine total sialic acid while the second allows to differentiate the two main forms of sialic acid (N-acetylneuraminic acid (Neu5Ac) and N-glycolylneuraminic acid (Neu5Gc)). A common sample preparation procedure (hydrolysis and purification) for both methods has been proposed. The linearity (from 6 to 150 μg of total sialic acid in the assay for spectrophotometry, and from 12.5 to 250 ng and 1 to 5 ng of Neu5Ac and Neu5Gc, respectively, for HPLC) is adequate. The detection and quantification limits (0.29…

A Posteriori Error Bounds for Approximations of the Oseen Problem and Applications to the Uzawa Iteration Algorithm

2014

Abstract. We derive computable bounds of deviations from the exact solution of the stationary Oseen problem. They are applied to approximations generated by the Uzawa iteration method. Also, we derive an advanced form of the estimate, which takes into account approximation errors arising due to discretization of the boundary value problem, generated by the main step of the Uzawa method. Numerical tests confirm our theoretical results and show practical applicability of the estimates.

Analysis of ventricular fibrillation signals using feature selection methods

2012

Feature selection methods in machine learning models are a powerful tool to knowledge extraction. In this work they are used to analyse the intrinsic modifications of cardiac response during ventricular fibrillation due to physical exercise. The data used are two sets of registers from isolated rabbit hearts: control (G1: without physical training), and trained (G2). Four parameters were extracted (dominant frequency, normalized energy, regularity index and number of occurrences). From them, 18 features were extracted. This work analyses the relevance of each feature to classify the records in G1 and G2 using Logistic Regression, Multilayer Perceptron and Extreme Learning Machine. Three fea…

Observed and Simulated Variability of Droplet Spectral Dispersion in Convective Clouds Over the Amazon

2021

In this study, the variability of the spectral dispersion of droplet size distributions (DSDs) in convective clouds is investigated. Analyses are based on aircraft measurements of growing cumuli near the Amazon basin, and on numerical simulations of an idealized ice‐free cumulus. In cleaner clouds, the relative dispersion ϵ, defined as the ratio of the standard deviation to the mean value of the droplet diameter, is negatively correlated with the ratio of the cloud water content (qc) to the adiabatic liquid water content (qa), while no strong correlation between ϵ and qc/qa is seen in polluted clouds. Bin microphysics numerical simulations suggest that these contrasting behaviors are associ…

2015

Abstract. The convective transport module, CVTRANS, of the ECHAM/MESSy Atmospheric Chemistry (EMAC) model has been revised to better represent the physical flows and incorporate recent findings on the properties of the convective plumes. The modifications involve (i) applying intermediate time stepping based on a settable criterion, (ii) using an analytic expression to account for the intra-time-step mixing ratio evolution below cloud base, and (iii) implementing a novel expression for the mixing ratios of atmospheric compounds at the base of an updraft. Even when averaged over a year, the predicted mixing ratios of atmospheric compounds are affected considerably by the intermediate time st…

Experiments with an adaptive Bayesian restoration method

1989

Abstract This paper describes a Bayesian restoration method applied to two-dimensional measured images, whose detector response function is not completely known. The response function is assumed Gaussian with standard deviation depending on the estimate of the local density of the image. The convex hull of the K -nearest neighbours ( K NN) of each ‘on’ pixel is used to compute the local density. The method has been tested on ‘sparse’ images, with and without noise background.