Other Chemistry Commons^™

Diffusion Of A Salt In An Aqueous Media, Aldaly Pineda Hernandez

Chemical Engineering Undergraduate Honors Theses

Diffusion is defined as the net transfer of a molecule from a high concentration region to a low concentration region. The concept of diffusion is used in a very important process called "desalination." Desalination is a separation process used to reduce the salt content dissolved in brackish water to make it suitable for human consumption, irrigation, and industrial use.

In desalination plants, it is important to monitor the constantly changing salt content of water, partly due to the diffusive effect. The main purpose of this experiment was to study the diffusion of NaCl in water at two NaCl concentrations. The …

Predicting The Hydration Free Energy Of Small Alkanes And Alcohols From Custom, Electronic Structure-Based Force Fields, T. Ryan Rogers

Graduate Theses and Dissertations

Mathematical theories reveal the fundamental physics involved in experimentalphenomena. Computer models of such theories are routinely used to corroborate or explain experiments and predict properties of chemical systems. Therefore, an important effort in computational chemistry is the development of more accurate and efficient chemical models. Current-generation models are only beginning to approach experimental-quality predictions of hydration free energies (HFEs).Using computations of quantum mechanical (QM) forces and classical simulations based on these forces, I investigate models to predict several properties of solutes and solutions. This dissertation is a collection of projects exemplifying methods used to gain insight into chemical systems.

Simulations …

Effect Of Charged Lipids On The Ionization Behavior Of Glutamic Acid Containing Transmembrane Helices, Brooke Nunn

Chemistry & Biochemistry Undergraduate Honors Theses

Transmembrane proteins make up critical components of living cells. Protein function can be greatly impacted by the charged state of its respective components, the side chains of amino acid residues. Thus far, in the lipid membrane, little is known about the properties of residues such as glutamic acid. To explore these properties, I have included glutamic acid in a suitable model peptide-lipid system for fundamental biophysical experiments. Within the system, I have placed a glutamic acid residue instead of leucine in the L14 position of the helical hydrophobic peptide GWALP23 (acetyl-GGALWLALALALAL¹⁴ALALWLAGA-amide). Substitutions of glutamine and aspartic acid serve …

Staphylococcal Nuclease And Ubiquitin Local Folding Energies And Rates Using Peps-Hdx-Esi-Ms, Julie Rhee

Chemistry & Biochemistry Undergraduate Honors Theses

In this study, Protein Equilibrium Population Snapshot Hydrogen-Deuterium Exchange Electrospray Ionization Mass Spectrometry (PEPS-HDX-ESI-MS) was applied to study the local regions of model proteins, staphylococcal nuclease and ubiquitin. The hydrogen deuterium exchange (HDX) has become a key technique for studying the structural and dynamic aspects of proteins in solution. This technique creates a rapid exchange between all of the exchangeable hydrogen ions with deuterium when the protein is exposed to a solvent. The PEPS method is an equilibrium-based method used to determine the populations of the closed native and open denatured states of a protein. By combining the applications of …

Regulation Of The Reaction Between Cytochrome C And Cytochrome Oxidase, Jennifer Silva-Nash

Chemistry & Biochemistry Undergraduate Honors Theses

Irreversible brain damage is commonly seen in patients that have suffered strokes, cardiac arrest, or other brain ischemia events. The hypoxic conditions result in neuron death, and previous studies have shown that additional damage occurs when blood flow is restored. It is thought that the lack of energy production during post-ischemia events also causes severe brain damage, as the brain heavily depends on oxidative phosphorylation. Cytochrome c (Cyt c) plays a crucial role in this energy production by means of the electron transport chain (ETC), transferring electrons between complexes ΙΙΙ (cytochrome bc1) and ΙV (cytochrome c oxidase, CcO). Mitochondrial …

Fenske-Hall Approximate Molecular Orbital Analysis Of The Chelating Carbene Complex Eta5-Cp'(Co)Mn{C(Oet)Ch2pph2}, John P. Graham

Journal of the Arkansas Academy of Science

The novel three legged piano stool chelating carbene complex, Cp'(CO)Mn{C(OEt)CH2PPh2}, 1, exhibits interesting structural, spectroscopic and electrochemical properties. It also readily undergoes reaction with CO to produce the three legged piano stool complex Cp'(CO)2{PPh2C(OEt)=CH2}, 2. This is in contrast to the analogous non-chelating complex Cp(CO)(PPh3)Mn{C(OMe)CH2CH3}, 3, which does not react with CO. This paper discusses the results of Fenske-Hall approximate molecular orbital calculations on model complexes for 1 and 3. The differences in spectroscopic and electrochemical properties are explained using molecular orbital analysis. Possible reasons for the enhanced reactivity of 1are also presented.

S-H Stretching Frequencies In Ruthenium Mercaptan Complexes And The Crystal And Molecular Structures Of [Cpru(Pph3)2(S-C4h, Haengsoon Park, David Minick, Mark Draganjac, Joey W. Crump, A. W. Cordes, Elizabeth M. Holt

Journal of the Arkansas Academy of Science

No abstract provided.

Specific Gravities And Fluidity Factors Of Glaze Slips, E. S. Amos

Journal of the Arkansas Academy of Science

No abstract provided.

Simple Ignition Furnaces, L. B. Roberts, J. C. Hackney

Journal of the Arkansas Academy of Science

No abstract provided.

Some Useful Devices For The Chemical Laboratory, L. B. Roberts

Journal of the Arkansas Academy of Science

No abstract provided.