The motions of carbon-chain backbone in n-undecance and n-dodecane dissolved in CDCl3 are investigated by 13C NMR relaxation study. For this purpose a model of C - C backbone motions for these molecules is introduced that takes into account the cooperativities between rotations about two $\beta$-coupled C - C bonds. In this model it is assumed that the major conformational interconversions occurring in the inner part of the chain involve the type II jumps only, although at terminal part of the chain both type II and type III motions are assumed to take place. Information of the rate constants of these conformational transitions could be extracted by comparing the T1's calculated on the basis of the assumed model with those observed over the temperature range of 248 - 308 K. The calculations were performed according to the method proposed by Wittebort and Szabo. The activation energies, ranging from ca 12 to 20 kJ/mol, could be obtained from the Arrhenius plots of these calculated rate constants.

Drawn polyethylene was studied by 13C cross polarization magic angle spinning techniques. Solid-solid phase transition from orthorhombic to monoclinic crystalline phase by drawing was observed. In addition, using a synchronized magic angle spinning 2 dimension technique, we confirmed that macroscopic ordering of the polyethylene was produced by drawing.

The cross peak intensities versus mixing times of 2D NOESY spectrum for a corepressor L-trp were simulated for the case of a ligand exchanging between free (AX) and bound (A'X') forms in protein/DNA complex. The direct NOE (I(AX)) of the free ligand exhibited a small positive intensity indicative of the strong dominant influence of the bound ligand. The exchange-mediated NOE peak (I(AX')) was very sensitive to corepressor exchange. However, both diagonal (I(A'A')) and direct NOE (I(A'X')) intensities of the bound ligand were not affected much at initial stage. Both peaks were severely influenced by exchange at mixing times of greater than 100 ms. In conclusion, since the NOE intensity is a function of exchange rate, the exchange effect should be considered to properly extract accurate distance information for bound ligand in the presence of conformational exchange.

A linear undecapeptide, Substance P (SP) is involved in a wide variety of physiological processes such as pain, inflammation, salivation, and hypertension. Tertiary structure of SP in dodecylphosphocholine (DPC) micelles has been investigated by CD, NMR spectroscopy, and DGII calculation. CD spectrum of SP in the presence of 7.5 mM DPC micelles does not show any favorable secondary structure. The tertiary structure determined by NMR spectroscopy and DGII calculation shows that the Phe7-Phr8-Gly9-Leu10 region adopts a turn structure, while the N-terminal region is quite flexible. Both prolines in SP exist preferentially as the trans isoforms and the aromatic ring of Phe7 protrudes outward. Conformation of SP may be restrained by the contact of the Phe7 aromatic ring with the hydrophobic side chains of the DPC micelles and this interaction induces a turn structure. Structure of SP in aqueous solution in the presence of DPC micelles can represent a good model to study the conformation recognized by the receptor near neutral membrane.

The systematic chirality investigations were made on the basic of the fact that zinc-binding tallysomycin (ZnTLMA) could have chiral centers (Zn, NC3, C6) at possible 4-, 5-, and 6-coordination models. Although our NMR data exhibit that the ligation sites are ${\beta}$-aminoalanine, ${\beta}$-hydroxyhistidine, and pyrimidine moiety, all possible coordination modes were tested out to see what kind of chiralities on NC3-C6 are favorable to each coordination mode. Tests were also made that take into account the specific configuration of functional groups, including ${\beta}$-aminoalanine, sugar ring, and ${\beta}$-hydroxyhistidine. Tests were finally extended to zinc-water binding and specific conformational studies by introducing various hydrogen bonding networks associated with the propionamide side chain and the carbamide group of mannose. Results of systematic chirality investigations exhibit that the S-S configuration of NC3-C6 is favorable to all of coordination models, but the R-S configuration, if exists at all, should have internal strain on C6 chiral center.

The correction of image artifacts due to misadjustment in tuning of RF coils (tip angle) and in the RF single sideband spectrometer was investigated using phase cycling of the $\pi$/2 and $\pi$ pulses in spin-echo sequences. A general procedure was developed for the systematic design of phase cycles that select desirable coherence transfer pathways. To analyze a phase cycling sequence, changes in the coherence level and phase factor for each RF pulse in the spin-echo cycle must be determined. Four different phase cycling schemes (FIXED, ALTERNATE, FORWARD, REVERSED) to suppress unwanted signal components such as mirror and ghost images were evaluated using two signal acquisitions. When the receiver phase factor is cycled counter-clockwise (REVERSED), these artifacts are completely removed.

Study on spin-rotation relaxation of nuclear spins located on a methyl group can reveal valuable dynamic information related to the internal rotation of methyl group itself. Toward this end we have measured methyl carbon-13 spin-rotation of methyl group itself. Toward this end we have measured methyl carbon-13 spin-rotational relaxation rate in toluene and 2-chloro-p-xylene over the temperature range of 179-363K. To interpret the temperature dependence of measured spin-rotational relaxation rate we have revised the temperature dependence of measured spin-rotational relaxation rate we have revised the expression derived thus far by other authors and reproduced experimental data on the basis of the newly derived expression. The results confirmed that our expression leads to better agreement with experimental data than the previous one over observed temperature range, especially at high temperature.