Introducing Chemometrics to the Analytical Curriculum: Combining Theory and Lab Experience

Division of Chemical Education of the American Chemical Society. Subscription Department, P.O. Box 1267, Bellmawr, NJ 08099-1267. Tel: 800-691-9846; Tel: 856-931-5825; Fax: 856-931-4115; e-mail: [email protected]; Web site: http://www.jce.divched.org

Y

3

Measurement Techniques; Chemistry; Least Squares Statistics; Science Curriculum; Mathematics; Hands on Science; Spectroscopy; Laboratory Experiments; Laboratory Procedures; Science Instruction; Science Experiments; Science Activities; College Science

0021-9584

Beer's law is an ideal technique that works only in certain situations. A method for dealing with more complex conditions needs to be integrated into the analytical chemistry curriculum. For that reason, the capabilities and limitations of two common chemometric algorithms, classical least squares (CLS) and principal component regression (PCR), are explored and a method for introducing these techniques into an analytical chemistry curriculum is described. Students find that while both algorithms are a better approach to real-world situations than Beer's law, PCR is superior to CLS because fewer restrictions are imposed. In addition to learning the important role that chemometrics is able to play in analytical chemistry, students gain hands-on practice with sample preparation and experience with FTIR spectroscopic measurement techniques. Also, this exercise can be completed in one four hour laboratory period. (Contains 1 figure and 2 tables.)

As Provided

13

2009

EJ824939