These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: An experimental and theoretical study of the 13C and 31P chemical shielding tensors in solid O-phosphorylated amino acids.
    Author: Potrzebowski MJ, Assfeld X, Ganicz K, Olejniczak S, Cartier A, Gardiennet C, Tekely P.
    Journal: J Am Chem Soc; 2003 Apr 09; 125(14):4223-32. PubMed ID: 12670244.
    Abstract:
    A series of l and dl forms of O-phosphorylated amino acids (serine, threonine, tyrosine) have been studied by using solid-state multinuclear NMR spectroscopy and ab initio calculations. Principal elements of the (13)C and (31)P chemical shielding tensors have been measured and discussed in relation to zwitterionic structures and intermolecular contacts. DFT calculations have been compared with experimental data showing their ability to reproduce experimentally obtained tensor values in this challenging class of compounds. The changes of orientation of (31)P chemical shielding tensor with respect to the molecular frame in the presence of hydrogen bonds have been revealed and discussed on the ground of theoretical calculations. The measurements of internuclear P...P distances, based on Zeeman magnetization exchange between (31)P spins with differing chemical shielding tensor orientations, were exploited for a clear distinction between enantiomers and racemates.
    [Abstract] [Full Text] [Related] [New Search]