This proposal outlines the continued development of methodology and theory using carbon-13 magnetic resonance important in the study of biomedical problems. Theoretical work largely deals with diffusional motion of biomedical molecules and model systems required to verify the experimental methods. Spectroscopic developments include slowspinning director alignment of nematic solvents to simulate molecular orienting conditions observed in biologically ordered systems such as membranes. Spectroscopic research will use high magnetic fields to determine subtle conformational features associated with optical centers in isoprenoid molecules. Relaxation data on continuous chain alkanes, model polymers, and biomacromolecules is used to characterize molecular motions of the overall and segmental variety. Solid state NMR methods using both cross polarization (CP) and magic angle spinning (MAS) provide relatively high resolution spectra. Applications primarily to nitrogen-containing compounds, heterocycles, nucleosides, nucleic acid, etc., are planned. Subtle interactions which average in liquid samples can be frozen out in microcrystalline powders for study. Finally, work on site specific 2H/1H isotope ratios and their variations depending upon the compounds' chemical history will be pursued. The effect of various biosynthetic pathways will be explored.

Agency
National Institute of Health (NIH)
Institute
National Institute of General Medical Sciences (NIGMS)
Type
Research Project (R01)
Project #
5R01GM008521-25
Application #
3268002
Study Section
Biophysics and Biophysical Chemistry B Study Section (BBCB)
Project Start
1978-06-01
Project End
1988-05-31
Budget Start
1985-06-01
Budget End
1986-05-31
Support Year
25
Fiscal Year
1985
Total Cost
Indirect Cost
Name
University of Utah
Department
Type
Schools of Arts and Sciences
DUNS #
City
Salt Lake City
State
UT
Country
United States
Zip Code
84112
Halling, Merrill D; Orendt, Anita M; Strohmeier, Mark et al. (2010) Solid-state 13C NMR investigations of 4,7-dihydro-1H-tricyclopenta[def,jkl,pqr]triphenylene (sumanene) and indeno[1,2,3-cd]fluoranthene: Buckminsterfullerene moieties. Phys Chem Chem Phys 12:7934-41
Harper, James K; Doebbler, Jennifer A; Jacques, Elisabeth et al. (2010) A combined solid-state NMR and synchrotron X-ray diffraction powder study on the structure of the antioxidant (+)-catechin 4.5-hydrate. J Am Chem Soc 132:2928-37
Halling, Merrill D; Bell, Joshua D; Pugmire, Ronald J et al. (2010) Solid-State NMR spectra and long, intra-dimer bonding in the pi-[TTF](2)(2+) (TTF = tetrathiafulvalene) dication. J Phys Chem A 114:6622-9
Iuliucci, Robbie; Hoop, Cody L; Arif, Atta M et al. (2009) Redetermination of 1,4-dimethoxy-benzene. Acta Crystallogr Sect E Struct Rep Online 65:o251
Hoffman, Angela M; Mayer, Steven G; Strobel, Gary A et al. (2008) Purification, identification and activity of phomodione, a furandione from an endophytic Phoma species. Phytochemistry 69:1049-56
Harper, James K; Strohmeier, Mark; Grant, David M (2007) Pursuing structure in microcrystalline solids with independent molecules in the unit cell using 1H-13C correlation data. J Magn Reson 189:20-31
Heider, Elizabeth M; Harper, James K; Grant, David M (2007) Structural characterization of an anhydrous polymorph of paclitaxel by solid-state NMR. Phys Chem Chem Phys 9:6083-97
Ma, Zhiru; Halling, Merrill D; Solum, Mark S et al. (2007) Ring current effects in crystals. Evidence from 13C chemical shift tensors for intermolecular shielding in 4,7-di-t-butylacenaphthene versus 4,7-di-t-butylacenaphthylene. J Phys Chem A 111:2020-7
Harper, James K; Grant, David M; Zhang, Yuegang et al. (2006) Characterizing challenging microcrystalline solids with solid-state NMR shift tensor and synchrotron X-ray powder diffraction data: structural analysis of ambuic acid. J Am Chem Soc 128:1547-52
Li, D; Owen, N L; Perera, P et al. (1994) Structure elucidation of three triterpenoid saponins from Alphitonia zizyphoides using 2D NMR techniques. J Nat Prod 57:218-24

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