The A.R. Smith Department of Chemistry

Overview of Faculty Research Interests

Fall 2006

Dr. Eric Allain

As the resident biochemist in the ASU chemistry department, Dr. Allain seeks to introduce students to this exciting and rapidly progressing field through the teaching of biochemistry lecture and laboratory classes. Dr. Allain joined the ASU faculty in July of 2005 following ten years of R & D in the biotechnology industry. He holds a PhD in biochemistry granted from the University of Illinois. His thesis research was conducted in the laboratory of Dr. Lowell Hager and was concerned with the use of enzymes for organic synthesis. Dr. Allain’s background and expertise is in the very broad area of applied biochemistry and biotechnology. Currently, the Allain lab is focusing on studying the oldest biotechnological process: the production of ethanol via fermentation. A majority of this effort is concerned with the fuel alcohol industry where students in the Allain lab are researching ways to improve the economy of ethanol production from renewable resources. In particular, research is focusing on the idea of ‘cell-free’ ethanol production where ethanol is made without yeast using only the enzymes involved in the conversion of glucose to ethanol. Modeling work has indicated that ethanol can be made much faster and thus more economically using such a process. Current work is focusing on validating these findings in the lab.

Dr. Carol Babyak

Dr. Babyak teaches Introductory, Analytical, and Environmental Chemistry classes at Appalachian State University. She holds a Ph.D. in Analytical Chemistry from West Virginia University (WVU) under the guidance of Dr. Ronald B. Smart. Her research involved the development of electrochemical methods for the detection mercury emitted from coal-burning power plants. Prior to her work at WVU, Dr. Babyak was an AmeriCorps member, and worked with coal mine drainage in southwestern Pennsylvania. Dr. Babyak received her Bachelor’s degree from Saint Vincent College, in Latrobe, PA, where she was mentored by Dr. Caryle Fish. Dr. Babyak has been at Appalachian since August, 2004.

Research in Dr. Babyak’s group centers around environmental analytical chemistry and environmental monitoring. Local sites which are being monitored by students include headwater streams near the Parkway, Boone Creek which flows through campus, and Ore Knob, an abandoned copper mine in Jefferson, NC. Students are also developing analytical methods to analyze environmental samples. Dr. Babyak is looking for students to continue these projects, and to start new projects related to rain and storm water analysis and/or detection of endocrine disruptors in wastewater. Research ideas suggested by students are also welcomed and encouraged.

Dr. Nicole Bennett

Dr. Bennett teaches Organic Chemistry I and II and Fundamentals of Organic Chemistry. After receiving a B.S. in Chemistry at UNC-Chapel Hill, she earned a Ph.D. in Organic Chemistry from the University of Wisconsin- Madison in 1996 under the supervision of Edwin Vedejs. Dr. Bennett wrote her graduate thesis on Probing the Origins of Stereoselectivity for the Wittig Reaction of Stabilized Ylides. Following graduate school, Dr. Bennett taught Organic Chemistry at Hope College in Holland, MI for many years. She happily left the mid-west to become a professor at Appalachian in the Fall of 2002.

Dr. Bennett has three ongoing research projects that involve synthesis of small molecules that may have important pharmacological properties. They are as follows: 1) Total synthesis of taxane diterpenes using π-allyl palladium chemistry. 2) Microwave-induced preparation of substituted pyridines and 3) Formation of allylic ethers using the inverse electron-demand Diels-Alder Reaction.

Dr. Claudia Cartaya

Dr. Claudia Cartaya-Marin is an organic synthetic chemist interested in developing synthetic methods and in the total synthesis of natural products that possess anti-cancer properties. She obtained her B.S. in Chemistry from Universidad Simon Bolivar in Caracas, Venezuela, and then came to the United States, where she got her Masters at Northeastern University, working on organo-metallic chemistry. She then joined the lab of Dr. Barry Snider at Brandeis University, in Waltham, MA, where, for her Ph.D. degree, she accomplished the total synthesis of (+)-nitramine, a proposed neurotoxin. She also studied Lewis acid-catalyzed reactions of aldehydes, and developed a novel cyclization reaction. After completing her Ph.D., she accepted a post-doctoral position in the Chemistry Department at Cornell University, where she worked on the total synthesis of biosynthetic intermediates of the shikimic acid pathway. Since arriving at Appalachian in 1986, she has extended her research to include the one pot synthesis of 5,7-diphenyl-2,3-Dihydro-1 H-pyrrolizine; the study of the reactions of sodium hydrogen selenide witha,b-unsaturated compounds and the synthesis of enaminones using Lewis acids as activators. Her teaching responsibilities have included Biochemistry, Advanced Organic Chemistry, Organic Synthesis, and Organic Chemistry I and II lectures and laboratories. She is currently teaching Fundamentals of Organic Chemistry.

Currently, Dr. Cartaya-Marin is studying the nucleophilic aromatic substitution reaction of trihalogenated benzenes with cyclic amines, as well as the use of microwaves to enhance organic reactions. She is also collaborating with Dr. Ece Karatan from the Biology Department on a project that involves the synthesis of cyclic-diguanylic acid and using this acid to find the cylic-diguanylic acid (c-di-GMP) regulated signal transduction pathways in vibrio cholerae.

Students in her lab obtain experience performing literature searches; learn proper research notebook keeping and the use modern synthetic techniques. They use chromatographic techniques to separate and purify products and use NMR and IR spectroscopy and GC/MS to characterize the compounds that they synthesize.

Dr. Cassandra Eagle

Dr. Eagle(Professor) is an inorganic chemist who earned her Ph.D. from the University of Toledo in 1986. Dr. Eagle then worked under the direction of F. A. Cotton at Texas A&M University from 1987 – 1988. Dr. Eagle was a Camille and Henry Dreyfus Foundation Scholar at Trinity University during the 1988-1989 academic year. From 1989 – 1992, Dr. Eagle was an assistant professor of Chemistry before joining the faculty at Appalachian State University in 1992. Dr. Eagle has taught the following courses: Introductory Chemistry, Women in Chemistry, Introduction to Solid State Chemistry, Inorganic Chemistry, Introduction to Chemical Research, and Senior Research.

Dr. Eagle’s technical research is in the area of solid state chemistry. Specifically, she is investigating the parameters which influence the solid state synthesis of semiconducting clusters. The knowledge garnered in this research is also applicable to the synthesis and utilization of quantum dots. This research encompasses inorganic synthesis, the use of inert atmosphere techniques, and characterization of complexes produced using solution and solid state methodologies.

Dr. Grant Holder

Area

Oenology, Viticulture, & Natural Product Research

Program

Appalachian State Oenology Group

Description

The activity of the group is three fold: 1) direct service to growers and winemakers. This entails the use of the Mobile Wine Service Laboratories (WISELAB), designed to perform basic analyses in marketable, quality control parameters for the grape, wine, and natural products industry. 2) Involves the use of state-of-the-art equipment (HPLC-MS, NIR, GC-MS) in the investigation of active principles and beneficial qualities of wine, grapes, and natural products, including their antioxidant levels, free- radical scavenging capacities, aromatic qualities, and (believe it or not) taste! 3) Pattern recognition, to determine the relationships between properties, practices, and preferences that can be correlated to instrumental readings.

This activity works very closely with growers and winemakers in helping them develop new markets overseas, working on special projects for extra distinction, and answering their basic questions about quality management. Threats are assessed and quantified, on demand.

Personnel

You will be working closely with our Enologist, Prof. Lucian Georgescu, Visiting Faculty from Romania, who has multiple degrees in this subject. You will also work with our new post-doctoral assistant, who will be fundamentally responsible for the WISELAB operation.

Benefits for you

All our research is market-driven; in other words, cross-disciplinary skills are a necessity. Travel, training, and connections for future career options are open to discussion. Appalachian is developing exciting new degree programs in this subject, both as stand alone modules and with our Educational partners in France, Italy, and Portugal. Your project can be designed to suit your interests; there is much to do!

Dr. Libby Puckett

Dr. Puckett has been teaching Introductory, Analytical, and Forensic Chemistry classes at Appalachian State University since the fall of 2004. She holds a Ph.D. in Bioanalytical Chemistry from the University of Kentucky under the guidance of Dr. Leonidas G. Bachas and Dr. Sylvia Daunert. Her research involved the development of sensing systems for clinical and pharmaceutical applications. Dr. Puckett received her Bachelor’s degree from Eastern Kentucky University in Forensic Science in 1996.

Although she is a bioanalytical chemist by training, her research looks at problems from different perspectives. Her research crosses many disciplines, including forensic science, molecular biology, and electrical engineering, but ultimately utilizes analytical chemistry as the unifying science. The current research projects in her laboratory have two main concentrations – forensic analysis and biological applications. Currently, there are three different instruments being used to study forensic samples. The first project involves using capillary electrophoresis (CE) to separate compounds of forensic interest, including drugs, explosives, and inks/dyes. The second project entails the comparison of solid phase extraction techniques (activated charcoal strips (ACS), solid phase microextraction (SPME) “needles”, and the Gerstel Twister) for the analysis of arson accelerants. Comparisons will be performed on the gas chromatograph (GC). The final project utilizes the gas chromatograph-mass spectrometer (GC-MS) for the detection and quantification of cocaine on U.S. and foreign currency.

There are currently two projects for the analysis of biological entities. The first project involves using a custom-made capillary electrophoresis system in conjunction with chemiluminescence detection for the determination of enzyme kinetics. The second project is the creation of a homogeneous protein-based assay for the detection of organophosphates, which are found in pesticides and chemical warfare agents.

Dr. Michael Ramey

Dr. Ramey teaches a variety of organic chemistry classes at Appalachian State University. He holds a Ph.D. in organic chemistry from the University of Florida under the guidance of Dr. John Reynolds. His research involved the synthesis and characterization of water-soluble conjugated polymers for light emission applications. Prior to his work at UF, Dr. Ramey attended Virginia Polytechnic and State University where he worked with Dr. Judy Riffle on high temperature polymers. Following graduate studies, he worked as a researcher for the Air Force Research Laboratories at Wright-Patterson AFB, Dayton, Ohio, until his appointment at Appalachian in August 2002.

Currently, Dr. Ramey’s research centers around the use of organic synthetic techniques to construct molecules for light emission and the assembly of charged species for ionic conduction. The materials developed have potential applications in the fields of photovoltaics, light emitting diodes (LED’s), and fuel cell/battery membranes. Students are exposed to three principles of research: self-discipline, in-depth synthetic knowledge / planning, followed by experimental design and execution. Input and new ideas from the students are always encouraged and expected.

Dr. Al Schwab

Dr. Schwab received his Ph.D. in Polymer Science from The University of Akron and his B.S. in Materials Science and Engineering from the University of Illinois at Urbana-Champaign. His main research interests include the development of metallic nanoparticles as broadly applicable photocatalysts, computational studies of nanometer-scale self-assembly, and the development of novel rubber materials.

When illuminated with laser radiation, metallic nanoparticles have the ability to enhance light intensity at the surface of the particle. When these particles are dispersed in a system of photochemical reagents, the light intensity enhancement can lead to an overall increase in the reaction rate. Like conventional catalysts, the nanoparticles would not be consumed in the course of the resulting chemical reaction. Unlike conventional catalysts, the nanoparticles can catalyze any photochemical reaction rather than reactions involving specific reactants. A student project in this area involves the synthesis of metal nanoparticles, characterization of particles with electron microscopy, and quantification of photochemical rates upon laser exposure.

Self-assembly, a process wherein molecules assemble into larger-scale objects is an important component of biological structure formation as well as a vital tool in the burgeoning field of nanotechnology. In general, intermolecular attractive interactions drive molecular assembly and entropy counters assembly. One quickly realizes, however, that these thermodynamic counterparts are rather limited in their ability to control the overall size of any given assembly. To address these issues of assembly size control, computational studies will be implemented to determine the limits of thermodynamic size control and to devise assembly design strategies using computational evolution algorithms. A student project in this area will involve programming of Monte Carlo simulations and computer analyses of simulation results.

Rubber materials are typically composed of long chain molecules that are covalently cross-linked to one another. These covalent cross-links impart the material with the ability to reversibly stretch to great lengths, but also remove the material’s ability to be recycled. By altering the chemical nature of the cross-links between the polymer chain molecules, these materials can be made recyclable. The unique cross-linking chemistry also offers several possibilities for developing rubber materials that act as sensors to various stimuli. A student project in this area will include the synthesis of new polymeric materials and their subsequent optical and mechanical characterization.

Dr. Dale Wheeler

Dr. Wheeler teaches introductory and inorganic chemistry classes at Appalachian State University. He holds a Ph.D. in inorganic chemistry from the University of Idaho under the guidance of Dr. Leszek Czuchajowski. His research involved the synthesis and characterization of organometallic salts as model systems for nonlinear optical materials. Prior to his work at UI, Dr. Wheeler attended Kansas State University where he worked with Dr. Eric Maatta on vanadium imido complexes. Following graduate studies, he completed a postdoctoral fellowship at Berea College as a Henry and Camille Dreyfus Fellow and then was a faculty member at the University of Wisconsin – Parkside until his appointment at Appalachian in August 1998.

Currently, Dr. Wheeler’s research centers around the use of organic and air-sensitive organometallic synthetic techniques to create molecules that are potential nonlinear optical materials. The noncentrosymmetric crystallization of these chromophores is an essential requirement for efficient second-order nonlinear optical properties. The research has applications for optical and electro-optical devices in the telecommunications and optical data-processing industries. Research students learn synthesis and purification techniques, characterization methods, and how to formulated experimental design.

Dr. Steve Williams

Chemistry is controlled by the behavior of the electrons in materials. Since the early 1930’s the equations that describe the motions of electrons have been known, and the solution of these equations should allow accurate prediction of almost every aspect of chemical behavior, including properties of individual molecules, thermochemistry (DH, DS, and DG) and kinetics of chemical reactions, and even the behavior of solutions and other types of chemically interesting bulk matter. Unfortunately, while the equations are known, their exact solutions are not. This means that the prediction of chemical behavior must be based on approximate solutions. The equations come from detailed treatments of atoms, molecules, and bulk matter using the methods of quantum mechanics. The approximate solutions come from numerical computations carried out on large computers with sophisticated computer programs.

In the recent past students who have worked on computational projects with Dr. Williams have studied such diverse subjects as boron and aluminum halides, aromatic nucleophilic substitution reactions, rhodium dimer homogeneous catalysts, relativistic effects in rhodium acetate, and Raman spectroscopy. These studies have resulted in publications and presentations at regional and national professional meetings.

The computational projects of most current interest are related to the chemistry of combustion, which is a very large and technologically important field. There is a quite peculiar bit of chemistry that occurs in the initial (low temperature) combustion of most fuels: “negative temperature coefficient.” In the vast majority of chemical reactions, an increase in temperature causes an increase in reaction rates. However, in many combustion reactions the opposite occurs over a small temperature range. If the rate is plotted as a function of temperature the onset of the negative temperature coefficient (NTC) regime appears as a local maximum in the plot.