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Simulation of elution profiles in liquid chromatography - II: Investigation of injection volume overload under gradient elution conditions applied to second dimension separations in two-dimensional liquid chromatography. Although applied to a wider variable domain, the network provides a performance comparable to that of the above 'local' models and retention times of triazines are modelled with accuracy generally better than 7%. For comparison, retention of triazines is modelled by both quantitative structure-retention relationships and response surface methodology, which describe separately the effect of molecular structure and gradient parameters on the retention. Predictive performance of this model is evaluated on six external triazines and four unseen separation conditions. The gradient parameters together with five selected molecular descriptors, identified by quantitative structure-retention relationship modelling applied to individual separation conditions, are the network inputs. The retention data of 24 triazines, including common herbicides and their metabolites, are collected under 13 different elution modes, covering the following experimental domain: starting acetonitrile volume fraction ranging between 40 and 60% and gradient slope ranging between 0 and 1% acetonitrile/min.

In this paper, a multilayer artificial neural network is used to model simultaneously the effect of solute structure and eluent concentration profile on the retention of s-triazines in reversed-phase high-performance liquid chromatography under linear gradient elution. Prediction of the retention of s-triazines in reversed-phase high-performance liquid chromatography under linear gradient-elution conditions.ĭ'Archivio, Angelo Antonio Maggi, Maria Anna Ruggieri, Fabrizio Breakthrough can be averted by using a sample solvent as weak as the mobile phase.

However, gradient-elution chromatograms often suffer from breakthrough phenomena. Gradient-elution liquid chromatography (GELC) is a powerful tool for the characterization of synthetic polymers. Alternative sample-introduction technique to avoid breakthrough in gradient-elution liquid chromatography of polymers

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