An article Global retention models and their application to the prediction of chromatographic fingerprints WOS:000616104700028 published article about GRADIENT; OPTIMIZATION; ELUTION in [Gisbert-Alonso, A.; Navarro-Huerta, J. A.; Torres-Lapasio, J. R.; Garcia-Alvarez-Coque, M. C.] Univ Valencia, Dept Analyt Chem, Fac Chem, C Dr Moliner 50, Burjassot 46100, Spain in 2021, Cited 43. The Name is 3-Hydroxybenzaldehyde. Through research, I have a further understanding and discovery of 100-83-4. Recommanded Product: 100-83-4
The resolution of samples containing unknown compounds of different nature, or without standards available, as is the case of chromatographic fingerprints, is still a challenge. Possibly, the most problematic aspect that prevents systematic method development is finding models that describe without bias the retention behaviour of the compounds in the samples. In this work, the use of global models (able to describe the whole sample) is proposed as an alternative to the use of individual models for each solute. Global models contain parameters that are specific for each solute, while other parameters -related to the column and solvent- are common for all solutes. A special regression procedure is presented for the construction of global models, which are applied to predict highly complex chromatograms, such as chromatographic fingerprints, for diverse experimental conditions in isocratic and gradient elution. Another interesting application is the prediction of molecular properties, such as log P-o/w from the specific solute parameters of the global models. The examined adapted models are based on the equations proposed by Snyder, Schoenmakers, Neue and Kuss, Jandera, and Bosch Roses to describe the retention. In all cases, the predictive capability was very satisfactory. Two cases of study were considered: chromatograms of camomile extracts analysed using acetonitrile gradients, and a set of 145 known compounds in a wide range of structures and functionalities, eluted isocratically with acetonitrile/water mobile phases. (C) 2020 Elsevier B.V. All rights reserved.
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