On characterization of dose variations of 2-D proteomics maps by matrix invariants

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.