An Exercise Demonstrating the Selection of Greener Compounds for a Specified Application

Autor/inn/en	Vanderveen, Jesse R.; Jessop, Philip G.
Titel	An Exercise Demonstrating the Selection of Greener Compounds for a Specified Application
Quelle	In: Journal of Chemical Education, 98 (2021) 7, S.2341-2346 (6 Seiten)Infoseite zur Zeitschrift PDF als Volltext Verfügbarkeit
Zusatzinformation	ORCID (Jessop, Philip G.)
Sprache	englisch
Dokumenttyp	gedruckt; online; Zeitschriftenaufsatz
ISSN	0021-9584
DOI	10.1021/acs.jchemed.1c00128
Schlagwörter	Teaching Methods; Decision Making; Chemistry; Hazardous Materials; Undergraduate Students; Vignettes; Conservation (Environment); Safety; Health; Molecular Structure; Computer Software; Prediction; Design; Computer Simulation; Critical Thinking; Science Instruction; Laboratory Experiments + Suchen Sie Ihr Suchwort? Teaching method; Lehrmethode; Unterrichtsmethode; Decision-making; Entscheidungsfindung; Chemie; Hazardous substance; Gefahrstoff; Conservation; Environment; Konservierung; Bewahung; Umwelt; Sicherheit; Gesundheit; Vorhersage; Computergrafik; Computersimulation; Kritisches Denken; Teaching of science; Science education; Natural sciences Lessons; Naturwissenschaftlicher Unterricht; Laboratory work; Laborarbeit
Abstract	Selecting less hazardous chemicals is a core tenet of green chemistry but is difficult to teach in practice. The upper-year undergraduate or graduate level exercise described here empowers students to make such decisions themselves. Students are tasked with finding the greenest chemical for a specific purpose described in a hypothetical scenario, although the scenario provided in the example could easily be replaced by a scenario related to the instructor's interests or expertise. The scenario specifies the class of chemical (e.g., a trialkylamine), a performance requirement, a safety requirement, and two environmental or health impacts to consider. To complete the exercise, students must generate a library of structures using free molecular structure library-building software and predict the properties of those chemicals using quantitative structure-activity relationship (QSAR) software. Finally, the students review the predicted properties for select compounds that best match the design criteria. This exercise familiarizes students with QSARs and the concept of virtual screening and presents an opportunity for them to think critically about the selection of the greenest chemical for an application. (As Provided).
Anmerkungen	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
Erfasst von	ERIC (Education Resources Information Center), Washington, DC
Update	2024/1/01