ERIC Number: EJ1444282
Record Type: Journal
Publication Date: 2023-Jul
Pages: 10
Abstractor: As Provided
ISBN: N/A
ISSN: ISSN-0021-9584
EISSN: EISSN-1938-1328
Antioxidant Potential of Anthocyanidins: A "Healthy" Computational Activity for High School and Undergraduate Students
Journal of Chemical Education, v100 n7 p2591-2600 2023
Molecules and Computer: Chemistry Calculations in Class (MC[superscript 4]) is a computational laboratory intended for final-year high school or undergraduate students. The topic is the antioxidant potential of anthocyanidins, which is chemically related to their radical scavenging action via the mechanism of hydrogen atom transfer (HAT). This laboratory combines (bio)chemical and nutraceutical concepts with organic chemical reactions involving radical species. It allows students to apply important physicochemical (thermodynamic) concepts, such as Gibbs free energy of reaction and solvation. Finally, the procedure can easily be tailored to the resources at hand as well as the knowledge of the students. In fact, when computing facilities are not available, the whole set of molecular structures and energy data are provided as well as a simple datasheet required for their analysis. Alternatively, the whole protocol and useful scripts are provided so that students can generate their own results by experiencing the approach to computational chemistry.
Descriptors: Chemistry, Science Instruction, Undergraduate Students, High School Students, Computer Science Education, Laboratory Experiments, Organic Chemistry, Scientific Concepts, Concept Formation, Thermodynamics, Molecular Structure, Energy
Division of Chemical Education, Inc. and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education; Postsecondary Education; High Schools; Secondary Education
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A
Grant or Contract Numbers: N/A