Nuclear magnetic resonance solution structure

Billeter, M., et al. Determination of the nuclear magnetic resonance solution structure of an Antennapedia home-odomain DNA complex. /. Mol. Biol. 234 1084-1097, 1993. 

Nuclear magnetic resonance solution structure of Hirudin(l-51) and comparison with corresponding three-dimensional structures determined using the complete 65-residue Hirudin polypeptide chain PDB ID IHIC... 

B. E., Gorin, A., Basu, A.K., and Broyde, S. (1998) Nuclear magnetic resonance solution structures of covalent aromatic amine-DNA adducts and their mutagenic relevance. Chem. Res. 

Schurter, E.J., Sayer, J.M., Oh-hara, T., Yeh, H.J., Yagi, H., Luxon, B.A., Jerina, D.M., and Gorenstein, D.G. (1995) Nuclear magnetic resonance solution structure of an undecanucleotide duplex with a complementary thymidine base opposite a 10R adduct derived from... 

J. W. Lenz and J. P. Heeschen, The application of nuclear magnetic resonance to structural studies of carbohydrates in aqueous solution, J. Polymer Sci., 51 (1961) 247-261. 

Wiithrich, K. Protein structure determination in solution by nuclear magnetic resonance spectroscopy. Science 243 45-50, 1989. 

The pKa values of 4-hydroxypyridine 1-oxide (51 52) and the methylated derivatives of both tautomeric forms indicate that the parent compound exists as a mixture containing comparable amounts of both forms in aqueous solution. Nuclear magnetic resonance spectra support this conclusion, but the ultraviolet spectra of the tautomeric compound and both alkylated derivatives are too similar to give information concerning the structural nature of the former. ... 

The proton spin-lattice relaxation-rate (R,) is a well established, nuclear magnetic resonance (n.m.r.) parameter for structural, configurational, and conformational analysis of organic molecules in solution. " As yet, however, its utility has received little attention in the field of carbohydrate chemistry,... 

Isab, A.A. and Sadler, P.J. (1981) Hydrogen-1 and carbon-13 nuclear magnetic resonance studies of gold(I) thiomalate (Myocrisin) in aqueous solution. Dependence of the solution structure on pH and ionic strength. Journal of the Chemical Society, Dalton Transactions, (7), 1657-1663. 

T. Iwashita, Y. Mino, H. Naoki, Y. Suguira, and K. Nomoto, High-resolution proton nuclear magnetic resonance analysis of solution structures and conformational properties of muguneic acids and its metal complexes. Biochemistry 22 4842 (1983). 

Because of the conformational restraints imposed on the cycloamyloses by their looped arrangement, it is reasonable to assume that the structural features derived for the crystalline state will be retained in solution. This has been confirmed in recent years by means of a variety of spectroscopic techniques. Nuclear magnetic resonance (Rao and Foster, 1963 Glass,... 

In order to co clarify the role of complex formation, the new data on stability constants should be accumulated, being collected at strictly similar conditions. It should be also mentioned that any analysis of equilibrium in solutions involving anions of polybasic hydroxy carboxylic acids requires the data on the deprotonation constants of the acid in question. This information would be crucial for conclusions regarding the presence and stability of mixed complexes in the system. Valuable knowledge about the structure of complex compounds present in solutions (and in precursors as well, see later) may be gained by means of vibrational spectroscopy (IR and Raman spectra) and nuclear magnetic resonance. 

Nuclear magnetic resonance (NMR) spectroscopy in pharmaceutical research has been used primarily in a classical, organic chemistry framework. Typical studies have included (1) the structure elucidation of compounds [1,2], (2) investigating chirality of drug substances [3,4], (3) the determination of cellular metabolism [5,6], and (4) protein studies [7-9], to name but a few. From the development perspective, NMR is traditionally used again for structure elucidation, but also for analytical applications [10]. In each case, solution-phase NMR has been utilized. It seems ironic that although —90% of the pharmaceutical products on the market exist in the solid form, solid state NMR is in its infancy as applied to pharmaceutical problem solving and methods development. 

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