Hexagonal ice in pure water and biological NMR samples

J Biomol NMR. 2017 Jan;67(1):15-22. doi: 10.1007/s10858-016-0080-7. Epub 2016 Dec 27.

Abstract

Ice, in addition to "liquid" water and protein, is an important component of protein samples for NMR spectroscopy at subfreezing temperatures but it has rarely been observed spectroscopically in this context. We characterize its spectroscopic behavior in the temperature range from 100 to 273 K, and find that it behaves like pure water ice. The interference of magic-angle spinning (MAS) as well as rf multiple-pulse sequences with Bjerrum-defect motion greatly influences the ice spectra.

Keywords: Dynamics; Fibrils; Ice: protein; MAS; NMR; Polarization-transfer; Water.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Ice / analysis*
  • Magnetic Resonance Spectroscopy* / methods
  • Models, Chemical
  • Models, Molecular
  • Molecular Conformation
  • Water / chemistry*

Substances

  • Ice
  • Water