title: In-silico optimisation of two-dimensional high performance liquid chromatography for the determination of Australian methamphetamine seizure samples.
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 (4.59×10(-4)M), pseudoephedrine (4.03×10(-4)M), caffeine (5.16×10(-4)M), aspirin (9.32×10(-4)M), paracetamol (5.93×10(-4)M) and procaine (2.02×10(-3)M).
authors.affiliation: Centre for Chemistry and Biotechnology, School of Life and Environmental Sciences, Deakin University, Waurn Ponds, Victoria 3216, Australia.
authors.forename: Luke M
authors.initials: LM
authors.lastname: Andrighetto
authors.affiliation: Centre for Chemistry and Biotechnology, School of Life and Environmental Sciences, Deakin University, Waurn Ponds, Victoria 3216, Australia.
authors.forename: Niki K
authors.initials: NK
authors.lastname: Burns
authors.affiliation: Centre for Chemistry and Biotechnology, School of Life and Environmental Sciences, Deakin University, Waurn Ponds, Victoria 3216, Australia.
authors.forename: Paul G
authors.initials: PG
authors.lastname: Stevenson
authors.affiliation: Victoria Police Forensic Services Department, Macleod, 3085, Australia.
authors.forename: James R
authors.initials: JR
authors.lastname: Pearson
authors.affiliation: Institute of Frontier Materials, Deakin University, Waurn Ponds, Victoria 3216, Australia.
authors.forename: Luke C
authors.initials: LC
authors.lastname: Henderson
authors.affiliation: Metabolomics Australia, Parkville, Victoria 3052, Australia.
authors.forename: Christopher J
authors.initials: CJ
authors.lastname: Bowen
authors.affiliation: Centre for Chemistry and Biotechnology, School of Life and Environmental Sciences, Deakin University, Waurn Ponds, Victoria 3216, Australia. Electronic address: xavier.conlan@deakin.edu.au.
authors.forename: Xavier A
authors.initials: XA
authors.lastname: Conlan
mesh_terms: D000697:Central Nervous System Stimulants / Q000737:chemistry*; D002851:Chromatography, High Pressure Liquid; D006801:Humans; D008694:Methamphetamine / Q000737:chemistry*; D015203:Reproducibility of Results; D012822:Silicon Dioxide; D015813:Substance Abuse Detection
chemical_list: D000697:Central Nervous System Stimulants; D008694:Methamphetamine; D012822:Silicon Dioxide
keywords: 2D-HPLC; Drylab; Ephedrine; Methamphetamine