Nuclear Magnetic Resonance Study of Ethyl-Methyl-Phosphate
Z. Sochorová Vokáčová, L. Benda, J. Horníček, M. Buděšínský,
O. Páv, V. Sychrovský
Institute of Organic
Chemistry and Biochemistry AS CR, v.v.i., Flemingovo nám. 2, Praha 6,
Nucleic acid (NA) bases and amino acids are essential building blocks in a variety of biopolymers. Similarly to them, the phosphodiester group is another example of such basic unit. As a part of nucleic acids and phospholipids, it also participates in several fundamental processes including protein/DNA recognition, and ATP-based enzymatic reactions.
We carried out a conformational analysis of an ethyl-methyl-phosphate (EMP) model, followed by a comprehensive computation of important NMR parameters using the density functional theory. All theoretical results were consequently compared to experimental values.
Figure 1. Ethyl methyl phosphate surrounded by water molecules.
This
work was supported by the