HYPERCHEM PROGRAM MAKES CHEMISTRY HYPER COOL
FOR IMMEDIATE RELEASE
March 31, 2000
Fairbanks, Alaska - A new molecular modeling software program aimed at animating structures– and the imagination of students that study them– has been implemented in the chemistry and biochemistry department at the University of Alaska Fairbanks. The Hyperchem modeling program is used by scientists and students to predict the structure and function of a molecule, according to UAF professor John Keller, who currently utilizes the program to teach organic chemistry and in his biotechnology research.
Keller and other professors use software to develop themes that tie together different disciplines of chemistry. The program at UAF is laying groundwork for a proposal to the National Science Foundation to equip chemistry labs at the University of Alaska's major academic units with workstations, copies of the molecular modeling software and "smart classroom" components.
Hyperchem has already become one of the leading molecular modeling packages in the nation, used widely by chemistry researchers. However, UAF is one of just a handful of schools that allow students to independently use the software for their own research projects and as a study aid.
"Today's students have for the most part been brought up in a video environment, so visualization software really helps emphasize the link between molecular structure and function," Keller said.
Taking a leading role in using innovative teaching techniques is nothing new for Keller and other faculty with UAF's Chemistry and Biochemistry Department. As the only university in the state to have its curriculum accredited by the American Chemical Society, UAF's undergraduate and graduate programs in chemistry, biochemistry, molecular biology and environmental chemistry rank among the most competitive in the Pacific Northwest.
The new Hyperchem software will complement the department's well-equipped laboratories, which house instrumentation for nuclear magnetic resonance spectroscopy, gas chromatography, infrared, ultraviolet/visible and atomic absorption spectrophotometry, mass spectrometry and amino acid analysis.
UAF scientists and students use molecular modeling in day-to-day research to comprehend both simple structures, such as the carbon dioxide humans exhale, and complex molecules, such as the double-helical DNA structure that holds the encryption for genetic coding.
By using a computer to calculate in seconds what used to take hours– and even days or weeks for some complex structures– to determine by hand, Keller and his students can more easily predict where atoms are located in a structure, how the structure is shaped, the bond lengths between its different atoms, and their electronic densities, among other facts.
Understanding a molecule's structure makes it easier to relate to its function– information especially useful for advances Keller and students under his tutelage have made in biotechnology research. For example, Keller used molecular modeling while researching a protein that acts as a genetic "switch" to control gene expression. He received two patents for this genetic switch, and research is ongoing to determine whether these regulators can be used as universal switches to control any gene's expression, whether in bacteria or plants.
Modeling programs like Hyperchem will provide a faster route towards biotechnical breakthroughs by focusing on the chemistry and directing the computer to do calculations, Keller said. The personal computers currently used to run Hyperchem molecular predictions are fast, but Keller hopes to increase the speed of the prediction by using a direct connection to supercomputers at the Arctic Region Supercomputing Center. The goal is for the Hyperchem software to link supercomputing facilities in Fairbanks to scientists and students from around the state within the next year, Keller said.
"The Hyperchem software was chosen because of its versatility," Keller said. "It can perform molecular predictions quickly on a personal computer, but can also offload calculations to a faster supercomputer that can interactively predict large molecule structures or provide a more detailed look at smaller ones."
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CONTACT: Professor John Keller, UAF Chemistry and Biochemistry Department, (907) 474-6042 or by email: ffjwk@uaf.edu.
JCS/3-31-00/00-064