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.

Traces, Patterns, Texture: In Search of Aesthetic Teaching/Learning Encounters

This inquiry reveals the crucial guidance of teachers toward surveying the capacity and needs of students, the formation of ideas, acting upon ideas, fostering connections, seeing potential, making judgments, and arranging conditions. Each aesthetic trace causes me to wonder how teachers learn to create experiences that foster student participation in the world aesthetically. The following considerations surface: • Given the emphasis in schools on outcomes and results, how do we encourage teachers to focus on acts of mind instead of end products in their work with students? • Given the orientations toward technical rationality, to fixed sequence, how do we help teachers experience fluid, purposeful learning adventures with students in which the imagi¬nation is given room to play? • Given the tendency to conceive of planning in teaching as the deciding of everything in advance, how do we help teachers and students become attuned to making good judgments derived from within learning experiences? • How do we help teachers build dialogical multivoiced conversations instead of monolithic curriculum? • What do we do to recover the pleasure dwelling in subject matter? How do we get teachers and students to engage thoughtfully in meaningful learning as opposed to covering curriculum7 • A capacity to attend sensitively, to perceive the complexity of relationships coming together in any teaching/learning experience seems critical. How do we help teachers and students attend to the unity of a learning experience and the play of meanings that arises from such undergoing and doing? The traces, patterns, and texture evidenced locate tremendous hope and wondrous possibilities alive within aesthetic teaching/learning encounters. It is such aliveness I encountered in the grade 4 art classroom that opened this account and continues to compel my attention. Possibilities for teaching, learning, and teacher education emerge. I am convinced they are most worthy of continued pursuit.