Theoretical and Experimental Studies in Nuclear Magnetic Resonance

Nuclear magnetic resonance (NMR) is a tool used to probe the physical and chemical environments of specific atoms in molecules. This research explored small molecule analogues to biological materials to determine NMR parameters using ab initio computations, comparing the results with solid-state NMR measurements. Models, such as dimethyl phosphate (DMP) for oligonucleotides or CuCl for the active site of the protein azurin, represented computationally unwieldy macromolecules. 31P chemical shielding tensors were calculated for DMP as a function of torsion angles, as well as for the phosphate salts, ammonium dihydrogen phosphate (ADHP), diammonium hydrogen phosphate, and magnesium dihydrogen phosphate. The computational DMP work indicated a problem with the current standard 31P reference of 85% H3PO4(aq.). Comparison of the calculations and experimental spectra for the phosphate salts indicated ADHP might be a preferable alternative as a solid state NMR reference for 31P. Experimental work included magic angle spinning experiments on powder samples using the UNL chemistry department’s Bruker Avance 600 MHz NMR to collect data to determine chemical shielding anisotropies. For the quadrupolar nuclei of copper and scandium, the electric field gradient was calculated in diatomic univalent metal halides, allowing determination of the minimal level of theory necessary to compute NMR parameters for these nuclei.

Nebraska Adolescents' HIV/Aids Attitudes, Knowledge and Related Practices: 1989

This Prevention Center Paper (No. 22) describes the HIV/AIDS related knowledge, attitudes and practices of a random sample of 1240 Nebraska adolescents in grades 9-12. The data were gathered in 1989. Data were gathered by staff of Health Education, Inc., a Nebraska-based nonprofit research and development corporation, as part of a contract with the Nebraska Department of Education. The Nebraska Department of Education has a major HIV /AIDS cooperative agreement with the U.S. Centers for Disease Control (CDC) in Atlanta, Georgia. Schools were selected at random from each of the six classifications of Nebraska schools established by the Nebraska Department of Education. Two to three classrooms for each grade 9-12 were then randomly selected within each sampled school. All students in the classes on the day of the survey voluntarily completed CDC's HIV / AIDS adolescent survey. All responses were anonymous. Classroom teachers and school administrators 'were not involved in the data collection in any way. A data collection protocol was followed to ensure validity in this self-report survey. This report is divided into four parts: Part 1 deals with students' acceptance of HIV/AIDS instruction and of people with HIV / AIDS. Part 2 describes students' access to HIV / AIDS information: Part 3 is about students ' knowledge of HIV / AIDS, and Part 4 discusses Nebraska adolescents' practices that increase the risk of HIV/AIDS.