TY - JOUR
T1 - Peak pattern variations related to comprehensive two-dimensional gas chromatography acquisition
AU - Ni, Mingtian
AU - Reichenbach, Stephen E.
AU - Visvanathan, Arvind
AU - TerMaat, Joel
AU - Ledford, Edward B.
N1 - Funding Information:
This work was partially supported by the National Science Foundation, Award 0231746.
PY - 2005/9/9
Y1 - 2005/9/9
N2 - Identifying compounds of interest for peaks in data generated by comprehensive two-dimensional gas chromatography (GC × GC) is a critical analytical task. Manually identifying compounds is tedious and time-consuming. An alternative is to use pattern matching. Pattern matching identifies compounds by matching previously observed patterns with known peaks to newly observed patterns with unidentified peaks. The fundamental difficulty of pattern matching comes from peak pattern distortions that are caused by differences in data acquisition conditions. This paper investigates peak pattern variations related to varying oven temperature ramp rate and inlet gas pressure and evaluates two types of affine transformations for matching peak patterns. The experimental results suggest that, over the experimental ranges, the changes in temperature ramp rate generate non-linear pattern variations and changes in gas pressure generate nearly linear pattern variations. The results indicate the affine transformations can largely remove the pattern variations and can be used for applications such as pattern matching and normalizing retention times to retention indices.
AB - Identifying compounds of interest for peaks in data generated by comprehensive two-dimensional gas chromatography (GC × GC) is a critical analytical task. Manually identifying compounds is tedious and time-consuming. An alternative is to use pattern matching. Pattern matching identifies compounds by matching previously observed patterns with known peaks to newly observed patterns with unidentified peaks. The fundamental difficulty of pattern matching comes from peak pattern distortions that are caused by differences in data acquisition conditions. This paper investigates peak pattern variations related to varying oven temperature ramp rate and inlet gas pressure and evaluates two types of affine transformations for matching peak patterns. The experimental results suggest that, over the experimental ranges, the changes in temperature ramp rate generate non-linear pattern variations and changes in gas pressure generate nearly linear pattern variations. The results indicate the affine transformations can largely remove the pattern variations and can be used for applications such as pattern matching and normalizing retention times to retention indices.
KW - Compound identification
KW - Comprehensive two-dimensional gas chromatography (GC x GC)
KW - Peak pattern matching
KW - Peak pattern variation
KW - Transformation model
UR - http://www.scopus.com/inward/record.url?scp=22744446431&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=22744446431&partnerID=8YFLogxK
U2 - 10.1016/j.chroma.2005.06.033
DO - 10.1016/j.chroma.2005.06.033
M3 - Article
C2 - 16130669
AN - SCOPUS:22744446431
SN - 0021-9673
VL - 1086
SP - 165
EP - 170
JO - Journal of Chromatography A
JF - Journal of Chromatography A
IS - 1-2
ER -