In-silico optimisation of two-dimensional high performance liquid chromatography for the determination of Australian methamphetamine seizure samples. (September 2016)

• Record Type: Journal Article
• Authors: Andrighetto, Luke M.; Burns, Niki K.; Stevenson, Paul G.; Pearson, James R.; Henderson, Luke C.; Bowen, Christopher J.; Conlan, Xavier A.
• Is Part Of: Forensic science international. Volume 266(2016)
• Page Start: 511
• Page End: 516
• Publication Date: 2016-09
• Subjects: Drylab -- 2D-HPLC -- Ephedrine -- Methamphetamine; Medical jurisprudence -- Periodicals; Chemistry, Forensic -- Periodicals; Forensic Medicine -- Periodicals; Médecine légale -- Périodiques; Chimie légale -- Périodiques; Gerechtelijke geneeskunde; Gerechtelijke chemie; Gerechtelijke psychiatrie; Chemistry, Forensic; Medical jurisprudence; Electronic journals; Periodicals; Electronic journals; 614.1
• DOI: 10.1016/j.forsciint.2016.07.016
• Languages: English
• ISSNs: 0379-0738

Abstract

Graphical abstract: Highlights: ⿢ An in-silico 2D-HPLC optimisation protocol for methamphetamine seizure samples. ⿢ Drylab ® software was used to rapidly identify optimum 2D-HPLC separation conditions. ⿢ Importance of monitoring intermediate samples for illicit drug profiling is shown. ⿢ Improved analysis time impacts the laboratory waste generated for 2D-HPLC. Abstract: In-silico optimisation of a two-dimensional high performance liquid chromatography (2D-HPLC) separation protocol has been developed for the interrogation of methamphetamine samples including model, real world seizure, and laboratory synthesised samples. The protocol used Drylab ® software to rapidly identify the optimum separation conditions from a library of chromatography columns. The optimum separation space was provided by the Phenomonex Kinetex PFP column (first dimension) and an Agilent Poroshell 120 EC-C18 column (second dimension). To facilitate a rapid 2D-HPLC analysis the particle packed C18 column was replaced with a Phenomenex Onyx Monolithic C18 withought sacrificing separation performance. The Drylab ® optimised and experimental separations matched very closely, highlighting the robust nature of HPLC simulations. The chemical information gained from an intermediate methamphetamine sample was significant and complimented that generated from a pure seizure sample. The influence of the two-dimensional separation on the analytical figures of merit was also investigated. The limits of detection for key analytes in the second dimension determined for methamphetamine (4.59 ÿ 10 ⿿4 M), pseudoephedrine (4.03 ÿ 10 ⿿4 M), caffeine (5.16 ÿ 10 ⿿4 M), aspirin (9.32 ÿ 10 ⿿4 M), paracetamol (5.93 ÿ 10 ⿿4 M) and procaine (2.02 ÿ 10 ⿿3 M).