title: Dynamic nuclear polarization with a water-soluble rigid biradical.
abstract: A new biradical polarizing agent, bTbtk-py, for dynamic nuclear polarization (DNP) experiments in aqueous media is reported. The synthesis is discussed in light of the requirements of the optimum, theoretical, biradical system. To date, the DNP NMR signal enhancement resulting from bTbtk-py is the largest of any biradical in the ideal glycerol/water solvent matrix, ε = 230. EPR and X-ray crystallography are used to characterize the molecule and suggest approaches for further optimizing the biradical distance and relative orientation.
authors.affiliation: Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
authors.forename: Matthew K
authors.initials: MK
authors.lastname: Kiesewetter
authors.forename: Björn
authors.initials: B
authors.lastname: Corzilius
authors.forename: Albert A
authors.initials: AA
authors.lastname: Smith
authors.forename: Robert G
authors.initials: RG
authors.lastname: Griffin
authors.forename: Timothy M
authors.initials: TM
authors.lastname: Swager
mesh_terms: D018360:Crystallography, X-Ray; D004578:Electron Spin Resonance Spectroscopy; D009682:Magnetic Resonance Spectroscopy; D012995:Solubility; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water