Complex formation between 5'-adenosine monophosphate (5'-AMP) and tryptamine was in­ vestigated by measuring 13C chemical shifts and spin-lattice relaxation times. The chemical shift changes observed were attributed to ring current effects originating in the stacking of the two respective aromatic moieties and to puckering changes of the AMP ribose. Differences in the magnitude of the shifts of...

In the course of the routine use of NMR as an aid for organic chemistry, a day-to-day problem is the identification of signals deriving from common contaminants (water, solvents, stabilizers, oils) in less-than-analytically-pure samples. This data may be available in the literature, but the time involved in searching for it may be considerable. Another issue is the concentration dependence of c...

Theoretical studies on anthracene and a series of its derivatives were performed using the AM1 method and DFT. Based on B3LYP/6-31G(d) optimized geometries, the electronic, IR and NMR spectra of anthracene oligomers were calculated using the Indo/Cis, AM1 and B3LYP/6-31G(d) methods, respectively. The energy gaps of the oligomers decreased and the main absorptions in the electronic spectra of th...

Conformational changes in the prion protein (PrP) seem to be responsible for prion diseases. We have used conformation-dependent chemical-shift measurements and rotational-resonance distance measurements to analyze the conformation of solid-state peptides lacking long-range order, corresponding to a region of PrP designated H1. This region is predicted to undergo a transformation of secondary s...

We describe a method for determining the torsion angle φ in peptides. The technique is based on the measurement of the relative orientation of the N-HN and CR-HR bonds, which is manifested in the rotational sideband spectrum of the sum and difference of the two corresponding dipolar couplings. The method exploits 15N-13C double-quantum and zero-quantum coherences, which evolve simultaneously un...

The monosila analogue of the C6Me7+ cation can be accessed by hydride abstraction from (pentamethylcyclopentadienyl)dimethylsilane, Cp*SiMe2H. Treatment of this material with triphenylmethylium tetrakis(pentafluorophenyl)borate in dichloromethane at -50 degrees C produced a single cationic species stable for a day or longer. The presence of a single resonance for the ring methyls and a single r...

This thesis addresses two different reaction pathways of hydrogen peroxide. The degradation pathway of hydrogen peroxide (H2O2) with sodium pyruvate elucidates the formation and breakdown of an intermediate formed during the reaction. Sodium pyruvate is a potential base for the creation of a peroxide scavenger. It readily reacts with H2O2 to yield sodium acetate, carbon dioxide and water as fin...

A band-selective aromatic-aliphatic C,C-edited four-dimensional NOESY experiment is proposed here. Its key advantage is the absence of auto-correlation signals which makes it very attractive for joint use with non-uniform sampling. It is demonstrated here that the sensitivity of the experiment is not significantly affected by utilization of selective pulses (for either aromatic-13C or aliphatic...

Four new and complementary three-dimensional triple-resonance experiments are described for obtaining complete backbone ‘H, 13C, and “N resonance assignments of proteins uniformly enriched with “C and 15N. The new methods all rely on ‘H detection and use multiple magnetization transfers through well-resolved one-bond J couplings. Therefore, the 3D experiments are sensitive and permit relatively...