Application of the ⁷⁷Se Solid State NMR for Investigation of Bioorganic Compounds—the Case of Selenomethionine

Abstract

Variable Temperature ⁷⁷ Se Cross Polarization Magic Angle Spinning (CP/MAS) NMR experiment was used to study of structure and dynamics of L-selenomethionine (L-SeMet) in the solid state. The ⁷⁷ Se principal elements of chemical shift tensor δ _ii and shielding parameters were calculated employing SIMPSON fitting procedure. Correlation between experimental and computed ⁷⁷ Se δ _ii parameters and molecular geometry of L-SeMet in the crystal lattice is discussed.

Keywords:

• ⁷⁷Se solid state NMR
• DSC
• L-Selenomethionine
• phase transitions

Acknowledgments

The authors are grateful to Ms. Justyna Mikuła-Pacholczyk for the technical support and the Polish Committee for Scientific Research, MEiN, grant no. 3T 09A 173 27 for financial support.