Prebiotic selection of the AT base-pair? A physical organic approach to understanding base-pair stability indicates unique stability

CHED 755

Steven C. Zimmerman1, Jordan R. Quinn, jrquinn@uiuc.edu1, Isaiah Shavitt, ishavitt@uiuc.edu2, and Janet E. Del Bene, jedelbene@ysu.edu3. (1) Department of Chemistry, University of Illinois, 600 S. Matthews Ave. MC-712, Urbana, IL 61801, (2) Department of Chemistry, Univeristy of Illinois, 600 S. Matthews Ave., Urbana, IL 61801, (3) Department of Chemistry, Youngstown State University, One University Plaza, Youngstown, OH 44555
The AT and GC base-pairs have been examined both experimentally and computationally to examine whether they contain any unaccounted for stabilization. An empirically based relationship between overall complex stability (-ΔG°) and various possible component interactions is developed to probe the question in a large set of experimentally determined base-pairs and their analogs. Unexpected stability is observed in the AT pair, and its origin is examined computationally. The results and their possible relationship to prebiotic chemistry will be described.