Prediction of analyte retention time in liquid chromatography

PR Haddad, M Taraji, R Szücs - Analytical Chemistry, 2020 - ACS Publications
Analytical Chemistry, 2020ACS Publications
Scope and Layout of This Review. This review addresses the approaches used to predict
chromatographic retention time in a range of liquid chromatographic techniques, with a
particular focus on reversed-phase liquid chromatography (RPLC), hydrophilic interaction
liquid chromatography (HILIC), and ion chromatography (IC). This focus has been selected
on the basis that prediction of retention for these three chromatographic techniques
comprises the bulk of the literature and also because the approaches used differ markedly …
Scope and Layout of This Review. This review addresses the approaches used to predict chromatographic retention time in a range of liquid chromatographic techniques, with a particular focus on reversed-phase liquid chromatography (RPLC), hydrophilic interaction liquid chromatography (HILIC), and ion chromatography (IC). This focus has been selected on the basis that prediction of retention for these three chromatographic techniques comprises the bulk of the literature and also because the approaches used differ markedly between these techniques. The literature for this review is drawn predominantly from the period 2015− 2020. Many different types of analytes are included in the review, with the exception of peptides and proteins, which are omitted for two main reasons. First, the methodology used for the prediction of retention of peptides and proteins differs significantly from that used for small molecules in that retention is often assumed to derive from the sequence of constituent amino acids, and this approach is not relevant to small molecules. Second, the prediction of retention for proteins and peptides has been the subject of a number of reviews, eg, refs 1− 7. Many of the approaches used to predict retention involve advanced statistical and chemometric techniques, and discussion of these approaches can easily become confusing to the reader. For this reason, this review will begin with a brief overview of the major approaches used, together with a definition of some of the important terms that are used to describe these approaches, along with a discussion of general aspects, such as error measurement. Following this, individual sections will be devoted to RPLC, HILIC, and IC, together with a brief discussion of retention prediction in other forms of liquid chromatography. The review will then conclude with comments on the future outlook of this field. This review is not intended to offer a comprehensive survey of the literature but
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