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  Home > JCE Print > Journal of Chemical Education > Issues > 2008  > January  >
In the Laboratory
Introducing Chemometrics to the Analytical Curriculum: Combining Theory and Lab Experience
Michael K. Gilbert, Robert D. Luttrell, David Stout, and Frank Vogt
Department of Chemistry , University of Tennessee, Knoxville, TN 37996
Cover
January 2008
Vol. 85 No. 1
p. 135
Abstract
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.
Supplement
Student and instructor material as well as a detailed discussion of CLS and PCR, which provide material for preparatory lectures, and details for software development are available.
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Contents
  JCE2008p0135W.pdf
 
JCE2008p0135W.zip
Folder JCE2008p0135W conatining JCE2008p0135W_1.doc and JCE2008p0135W_2.doc (Microsoft Word)
More Information
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Citation
Gilbert, Michael K.; Luttrell, Robert D.; Stout, David; Vogt, Frank. J. Chem. Educ. 2008, 85, 135.
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Keywords
Analytical Chemistry; Calibration; Chemometrics; Graduate Education / Research; Hands-On Learning / Manipulatives; IR Spectroscopy; Laboratory Instruction; Liquids; Quantitative Analysis; Upper-Division Undergraduate
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History
Created:
Last Updated:
12/4/2007
12/12/2007
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