title: Utilizing a constant peak width transform for isothermal gas chromatography.
abstract: A computational approach to partially address the general elution problem (GEP), and better visualize, isothermal gas chromatograms is reported. The theoretical computational approach is developed and applied experimentally. We report a high speed temporally increasing boxcar summation (TIBS) transform that, when applied to the raw isothermal GC data, converts the chromatographic data from the initial time domain (in which the peak widths in isothermal GC increase as a function of their retention factors, k), to a data point based domain in which all peaks have the same peak width in terms of number of points in the final data vector, which aides in preprocessing and data analysis, while minimizing data storage size. By applying the TIBS transform, the resulting GC chromatogram (initially collected isothermally), appears with an x-axis point scale as if it were instrumentally collected using a suitable temperature program. A high speed GC isothermal separation with a test mixture containing 10 compounds had a run time of ∼25 s. The peak at a retention factor k ∼0.7 had a peak width of ∼55 ms, while the last eluting peak at k ∼89 (i.e., retention time of ∼22 s) had a peak width of ∼2000 ms. Application of the TIBS transform increased the peak height of the last eluting peak 45-fold, and S/N ∼20-fold. All peaks in the transformed test mixture chromatogram had the width of an unretained peak, in terms of number of data points. A simulated chromatogram at unit resolution, studied using the TIBS transform, provided additional insight into the benefits of the algorithm.
authors.affiliation: Department of Chemistry, Box 351700, University of Washington, Seattle, WA 98195-1700, USA.
authors.forename: Jeremy S
authors.initials: JS
authors.lastname: Nadeau
authors.forename: Ryan B
authors.initials: RB
authors.lastname: Wilson
authors.forename: Brian D
authors.initials: BD
authors.lastname: Fitz
authors.forename: Jason T
authors.initials: JT
authors.lastname: Reed
authors.forename: Robert E
authors.initials: RE
authors.lastname: Synovec
mesh_terms: D000465:Algorithms; D002849:Chromatography, Gas / Q000379:methods*; D008962:Models, Theoretical; D012815:Signal Processing, Computer-Assisted