1. Physical Chemistry Faculty Research Interests

2. Prof. Mark Campbell Chemical Education Research My recent research interests lately have involved reliability of multiple choice exams and different methods of decreasing the effect of guessing on exam scores. Another area of interest I have is the effect of question order and answer order on exam scores. Over the past two years the plebe chemistry course has used two different versions of the common exams to ensure exam integrity. The two different versions used a different order for both the questions and responses. It was assumed that the different versions would have a negligible difference in average score and individual question scores. I would like to analyze the exam data to determine whether there are any statistical differences between the exam and question averages. Results of this project will be compared to previous literature on the subject.

3. My research efforts involve molecular dynamics simulations of shock waves and detonation. Computer simulation of molecular motion in solid model systems is used to investigate the onset of detonation. The goal is to incorporate realistic bond-breaking and bond-forming processes so that the simulation can successfully model chemical effects in detonation, such as the role of impurities, voids, molecular orientation, and exothermicity, on the speed and stability of detonation wave propagation. A simulation of the detonation of solid acetylene is shown below. Recently I have been focusing on the role of strain energy in shock waves. A strained hydrocarbon system such as cubane (above) can release large amounts of energy on impact, comparable to the energy release in a conventional explosive. Conversely, an endothermic isomerization reaction could be used to absorb energy during shock impact of armor material. Prof. Mark Elert

4. Prof. Robert F. Ferrante - Spectroscopy - We utilize spectroscopy (chiefly FT-IR) of samples at very low temperatures (10K – 140K) to examine two types of systems: - Small stable molecules that form ices on the surfaces of comets, outer solar system bodies, or interstellar dust particles to help identify them and their irradiation products in astronomical spectra. - Very unstable molecules, like reaction intermediates, to determine their structure, bonding and reactions Current Projects: 1) Optical Properties of Hydrocarbon Ices: (NASA/GSFC) - developing a spectroscopic database of the “optical constants” of simple ices (e.g. C 2 H 6, C 2 H 4, etc) and ice mixtures (CH 4 /N 2, etc.) which exist in comets and outer solar system objects. May also involve ice density measurements by quartz crystal microbalance (at USNA). This data is used by astronomers in modeling the composition of these objects. 2) Raman Spectroscopy of Ices: (USNA) testing the ability of a simple Raman spectrometer to distinguish and identify thin ice coatings on mineral samples. This will help probe the feasibility of proposed application of Raman on a Mars lander. 3) Spectroscopy of Nitrenes and Nitrides: (USNA) working on a unique way to make these extremely unstable intermediates, and to study them spectroscopically. CONTACT ME FOR MORE INFORMATION!

5. Prof. Judith A. Harrison Overview: We examine the atomic-scale origins of friction and wear of hydrocarbon-based materials using computer simulations (i.e., molecular dynamics) which utilize a potential energy function developed at USNA. Also, we use computer models to examine thermodynamic and transport properties of alternative fuels over a broad temperature and pressure range.. Projects: 1) Simulating chemical reactions: Students learn how to write molecular dynamics computer codes for simulating the movement of atoms on computers. Skills needed: Willingness to learn basic FORTRAN and some UNIX. 2) Computing the properties of Alternative Fuels This project will develop a computer model that is capable of predicting the properties of alternative fuels of any composition even near the critical point. Compare results to experiments carried out in Chemistry Department and literature data. Collaborators: Prof. Luning Prak Skills needed: Willingness to learn basic FORTRAN and some UNIX. 3) Using molecular dynamics simulations to examine adhesion, friction, and wear in diamond and diamondlike carbon (DLC) and self- assembled monolayers). The effects of tip shape, chemical composition, roughness, temperature, and environment must all be considered. Experimental Collaborators: Univ. of Pennsylvannia Skills needed: Willingness to learn FORTRAN and UNIX. Past students: L. Herman, J. Williams, P. Lombard, R. Willingham, B. Lassen, B. Sweeney, M. Gustafson 1993 1998 2008 60 sec HRD Biodiesel seawater Fuel tank 5 component fuel

6. Assoc Prof Roy McClean Overview Potential energy surfaces of transition metal (TM) reactions TM + NO → Products Objective Understand the reactions at the molecular level Method Computational chemistry / density functional theory (quantum mechanical calculations) Gaussian 09 suite of programs Cr + N-O Cr - N - O N - Cr - O Current students Midn Paris Bess Mn + NO → Products Midn Alexis Gamarra Fe + NO → Products Possible Projects TM + NO → Products TM + CO 2 → Products Prior Knowledge SC345 - Thermodynamics & Kinetics SC346 - Quantum Chemistry & Spectroscopy Need to Learn Gaussian 09 Some UNIX PE rxn coordinate

7. Asst. Prof. Melonie Teichert Chemistry Education DBER: Discipline-Based Education Research – Expertise in discipline (chemistry) – Rigorous study of teaching and learning (cognitive science, educational psychology, learning sciences) Research Emphasis: The Design and Assessment of Effective Learning Environments (lecture and lab) Projects – Inquiry labs for Plebe Chemistry: current focus is spectroscopy lab (Beer’s Law), collaboration with Monroe CC; Current Student: 1/C Diana Jacinto – Guided Discovery lecture activities: for plebe chem or upper division courses (P-Chem?) – In-depth analysis of context-dependence of bond energy understanding (plebe chem, bio, and biochem effects) – Investigation of USNA faculty use of innovative teaching practices: (Big DBER focus) – Design your own project! (Study of IL learning? Gender effects? NAPS? Let’s talk!)

8. Assistant Professor Elizabeth Yates eyates@usna.edu Biophysical Chemistry BIOPHYSICAL CHEMISTRY ELECTIVE – SPRING 2017 OVERVIEW: My research focus is aimed at studying amyloidogenic proteins associated with neurodegenerative diseases (Alzheimer's disease, Parkinson's disease, etc.). These diseases are related to the rearrangement of specific proteins to non-native conformations. Such rearrangements promote aggregation and deposition within tissues and/or cellular compartments. Understanding the role of amyloidogenic protein interaction at surfaces may provide valuable insight into the toxic mechanism between cellular surfaces and amyloids. PROJECTS: 1. Utilize and develop a biosensing colorimetric assay to study amyloidogenic proteins associated with disease and measure protein interaction with lipid membranes. A biomimetic, vesicle-binding assay to investigate the interactions of protein aggregates with lipid membranes. Vesicles have varied colorimetric responses when exposed to proteins depending on the extent of the protein-lipid interaction. Current Research Students: M. Dorsey, C. Villareal 2. Atomic force microscopy: Experimentation of amyloid proteins on surfaces State of the art Atomic force microscope (AFM) training and MATLAB programming. The aggregation of each protein in free solution and on various surfaces will be studied and evaluated using an AFM. 3. Determine the effect of amyloidogenic protein aggregation and surface activity on lipid monolayer behavior. Surface potential measurements and protein insertion into a lipid monolayer will be measured using a Langmuir-Blodgett trough. Surface chemistry is measured by compressing the monolayer. The potential created across the interface when amyloidogenic proteins are added now provides a measure of the surface interaction of the protein that is independent of surface pressures. If you are interested in biophysics, nanoscience, or medical applications of chemistry, please see me for more information! No interaction Protein interaction Protein insertion AFM image of β -amyloid