title: On characterization of dose variations of 2-D proteomics maps by matrix invariants.
abstract: We explore the characterization of 2-D electrophoresis proteomics maps by certain structural invariants derived from matrixes constructed by considering for all pairs of spots in a proteomics maps the shortest (Euclidean) distances and distances measured along zigzag lines connecting protein spots of the neighboring abundance. This paper is a sequel to previous papers in which we outlined the idea of characterizing 2-D proteomics maps by graph-theoretical descriptors. To illustrate the approach, we selected data of Anderson et al. (Anderson, N. L.; Esquer-Blasco, R.; Richardson, F.; Foxworthy, P.; Eacho, P. The effects of peroxisome proliferators on protein abundances in mouse liver. Toxicol. Appl. Pharmacol. 1996, 137, 75-89) on protein abundance in mouse liver under a series of dose of peroxisome proliferator LY1711883. We found strong linear correlation between the experimentally applied doses and the leading eigenvalue of a D/D-type matrix (Randić, M.; Kleiner, A. F.; DeAlba, L. M. Distance/ distance matrices. J. Chem. lnf. Comput. Sci. 1994, 34, 277-286) constructed for the experimental proteomics maps.
authors.affiliation: National Institute of Chemistry, Ljubljana, Slovenia.
authors.forename: Milan
authors.initials: M
authors.lastname: Randíc
authors.forename: Marjana
authors.initials: M
authors.lastname: Novic
authors.forename: Marjan
authors.initials: M
authors.lastname: Vracko
mesh_terms: D000098:Acetophenones / Q000494:pharmacology; D000818:Animals; D004305:Dose-Response Relationship, Drug; D015180:Electrophoresis, Gel, Two-Dimensional; D020024:Leukotriene Antagonists / Q000494:pharmacology; D008099:Liver / Q000737:chemistry* / Q000187:drug effects; D051379:Mice; D015394:Molecular Structure; D011506:Proteins / Q000032:analysis*; D040901:Proteomics / Q000379:methods*; D012044:Regression Analysis; D013777:Tetrazoles / Q000494:pharmacology
chemical_list: D000098:Acetophenones; D020024:Leukotriene Antagonists; D011506:Proteins; D013777:Tetrazoles; C044660:LY 171883