Premelting thermal fluctuational base pair opening probability of poly(dA).poly(dT) as predicted by the modified self-consistent phonon theory.
作者： Y. Z. Chen , Y. Feng , W. Prohofsky
关键词: Nucleon 、 Chemical bond 、 Chemistry 、 Hadron 、 Transition state theory 、 Nuclear magnetic resonance 、 Phonon 、 Mean field theory 、 Premelting 、 Thermodynamics 、 Proton
摘要: We employ a mean field, modified, self-consistent phonon theory to evaluate the single base-pair opening rate and probability of base pair in amino proton exchangeable state for homopolymer poly(dA).poly(dT) at temperatures below helix-coil transition region. Our calculated premelting probabilities are general agreement with several available experimental estimates from exchange formaldehyde-induced DNA melting measurements. These probabilities, however, disagreement prediction theory. Possible reasons differences discussed, especially possible different definition meaningful open The modified approximation seems be appropriate describe solvent-accessible configuration that is sufficient facilitate important chemical reactions such as imino formaldehyde reaction bases. This can compared completely unstacked originally defined propose associated only involves breaking interbase H bond. between experimentally estimatedmore » support this hypothesis.« less
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