Pechenaia V I
Mol Biol (Mosk). 1986 May-Jun;20(3):820-6.
The interpretation of conformationally dependent double-helical DNA Raman bands, which stipulates their appearance with the furanose ring-puckering vibration is suggested. Quantum-mechanical calculations of the furanose ring-puckering vibration occurring by a pseudorotation pathway are carried out. Vibrational states eigen values and eigen functions are calculated for a double-well pseudorotation potential of the furanose. The obtained value of the pseudorotation barrier 4.2-3.6 kcal/mol proves to be in a good agreement with other theoretical and experimental estimates of the barrier.
提出了对构象依赖性双螺旋DNA拉曼带的解释,该解释规定了它们与呋喃糖环扭曲振动一起出现。通过假旋转途径对呋喃糖环扭曲振动进行了量子力学计算。计算了呋喃糖双阱假旋转势的振动态本征值和本征函数。得到的假旋转势垒值为4.2 - 3.6千卡/摩尔,与势垒的其他理论和实验估计值吻合良好。