title: Evaluation of the impact of peak description on the quantitative capabilities of comprehensive two-dimensional liquid chromatography.
abstract: Comprehensive, two-dimensional liquid chromatography (LC × LC) is a powerful technique for the separation of complex mixtures. Most studies using LC × LC are focused on qualitative efforts, such as increasing peak capacity. The present study examined the use of LC × LC-UV/vis for the separation and quantitation of polycyclic aromatic hydrocarbons (PAHs). More specifically, this study evaluated the impact of different peak integration approaches on the quantitative performance of the LC × LC method. For well-resolved three-dimensional peaks, parameters such as baseline definition, peak base shape, and peak width determination did not have a significant impact on accuracy and precision. For less-resolved peaks, a dropped baseline and the summation of all slices in the peak improved the accuracy and precision of the integration methods. The computational approaches to three-dimensional peak integration are provided, including fully descriptive, select slice, and summed heights integration methods, each with its own strengths and weaknesses. Overall, the integration methods presented quantify each of the PAHs within acceptable precision and accuracy ranges and have comparable performance to that of single dimension liquid chromatography.
authors.affiliation: Chemical Sciences Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, United States. Electronic address: benjamin.place@nist.gov.
authors.forename: Benjamin J
authors.initials: BJ
authors.lastname: Place
authors.affiliation: Chemical Sciences Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, United States; Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306-4390, United States.
authors.forename: Mallory J
authors.initials: MJ
authors.lastname: Morris
authors.affiliation: Chemical Sciences Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, United States.
authors.forename: Melissa M
authors.initials: MM
authors.lastname: Phillips
authors.affiliation: Chemical Sciences Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, United States.
authors.forename: Lane C
authors.initials: LC
authors.lastname: Sander
authors.affiliation: Chemical Sciences Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, United States.
authors.forename: Catherine A
authors.initials: CA
authors.lastname: Rimmer
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D007477:Ions / Q000737:chemistry; D011084:Polycyclic Aromatic Hydrocarbons / Q000737:chemistry / Q000302:isolation & purification*
chemical_list: D007477:Ions; D011084:Polycyclic Aromatic Hydrocarbons
keywords: Peak integration; Polycyclic aromatic hydrocarbons; Two-dimensional liquid chromatography