Influence of solvent and salt concentration on the alignment properties of acrylamide copolymer gels for the measurement of RDC

Magn Reson Chem. 2012 Dec:50 Suppl 1:S29-37. doi: 10.1002/mrc.3889.

Abstract

The dependence of molecular alignment with solvent nature and salt concentration has been investigated for mechanically stretched polyacrylamide copolymer gels. Residual dipolar couplings (RDCs) were recorded for D(2)O, DMSO-d(6), and DMSO-d(6)/D(2)O solutions containing different proportions of the solvents and different sodium chloride concentrations. Alignment tensors were determined by fitting the experimental RDCs to the DFT-computed structure of N-methylcodeinium ion. Analysis of the tensors shows that the degree of alignment decreases with the proportion of DMSO-d(6) as well as with the concentration of sodium chloride, most likely due to enhanced ion-pair aggregation. Furthermore, rotation of the alignment tensor is observed when increasing the salt concentration.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acrylamide / chemistry*
  • Algorithms*
  • Deuterium Oxide / chemistry
  • Dimethyl Sulfoxide / chemistry
  • Gels / chemistry
  • Nuclear Magnetic Resonance, Biomolecular*
  • Polymers / chemistry*
  • Quantum Theory
  • Sodium Chloride / chemistry*
  • Solvents / chemistry

Substances

  • Gels
  • Polymers
  • Solvents
  • Acrylamide
  • Sodium Chloride
  • Deuterium Oxide
  • Dimethyl Sulfoxide