b'Impact of the Electrostatic Attraction of Dications on the Vibrational Energy Levels of the Acetic Acid molecule: a Molecular Modeling StudyChloe E. Ward, Shelby Raybon, Thomas J. Mancil, Thomas Rideau,Guillermo Sanchez, and Grant McReadySponsor: Dr. ManningAcetic acid is a well-studied small molecule that has a high electron density centered on its carboxylic acid group. The presence of several dications (i.e. Cu(II), Fe(II), Ca(II), Mg(II), Ni(II), etc. can cause a shift in the electron density and dipole moment which results in a shift in the vibrational energy level, which is reflected in the Infrared spectra. This study uses molecular mechanics and semi empirical calculations to model this electrostatic interaction between the +2 charged cations and the weak acid. Trends are sought that related to the dipole moment, TPSA and IR spectra and the charge density of the cations.Purification of Aquaporin Proteinfrom the Sea Lettuce Ulva lactucaGrant T. McReady, Shelby K. Raybon, and Arbrianna S. GoolsbySponsor: Dr. GosnellIn many places across the globe, fresh water is in short supply.Desalination of seawater and brackish water can aid in boosting the fresh water available.An approach that is in the early stages of development is to use aquaporin proteins embedded in membranes to effect desalination.The current project is part of an ongoing overarching project to develop novel desalination membranes that employ aquaporins from sea plant sources.The specific goal of the current project is to purify aquaporin from Ulva lactuca, which is grown and maintained in the laboratory.Membrane proteins in general can be difficult to purify and analyze.Here, a two-phase partitioning technique is used to isolate the plasma membrane.This is followed by a urea-NaOH treatment to recover the hydrophobic aquaporins.Utilizing Intercalation Concepts Towardsthe Development of Functional Two-Dimensional MaterialsDaeshe R. McCoySponsor: Dr. SalamiIntercalation is the reversible inclusion or insertion of molecules or ions(guests) into a layered material(host). The host typically retains its structure, and, in some cases, the guest-host complex is slightly altered. The most important property of layered materials is their tunable inter-layer space. Guest molecules depending on their size will expand the hosts lattice along the stacking axis. The ability of the host to interact with the guest using simple chemistry such as ion-exchange, acid-base interactions and intermolecular interactions has made intercalation an attractive method of trapping molecules in the interstices of layered materials. Intercalation has been applied in sensor development, drug delivery, catalysis, ion-exchange just to mention a few. In our research, we are using the intercalation process to trap halochromic dyes into a layered compound by expanding/exfoliating the layered compounds with tertiary amines. Our poster will showcase data collected to support the successful intercalation of various tertiary amines into layered zirconium phosphate and the insertion of Crystal Violet (dye).26'