(241h) Matlab Based Applications As Accessible and Interactive Educational Modules to Advance Spectroscopic Understanding

Spectroscopic techniques are unquestionably valuable for understanding structural and compositional changes in complex chemical, biochemical and biological systems. Consequently, spectroscopic techniques are increasingly incorporated to undergraduate/graduate curricula to prepare the next generation of engineers for successful careers in industry and academia where applications include reaction monitoring, quality control, and process control etc. Spectroscopic pedagogy excels in theory and interpretation of spectra and some educators are shifting towards programming-based lessons to introduce certain topics. The interactivity and exposure of computer science in the field of chemistry are advantageous in a future scientist’s career.

Among the challenges in traditional spectroscopic pedagogy, two stand out: the practical aspect of collecting meaningful and reproducible data along with the relevant and necessary pre-processing prior to any interpretation. Lab-based sessions are expensive and certain techniques may be prohibitively long or sensitive for students to broach topics such as instrumental parameters or background drifts. Through programming-based modules developed for education, these topics can be introduced earlier to make higher education level students aware of the reality of spectroscopic techniques in addition to the theory. We have developed an extensible MATLAB program which allows students to explore Raman instrument parameters to maximize signal to noise ratio while minimizing collection time. Current efforts are focused in extending a MATLAB module to interactively showcase preprocessing techniques with the intent to feed into chemometric interpretation and modelling. Spectral preprocessing is applied in nearly every publication, but justification is often neglected despite the negative impact of incorrect choices in interpretation and modelling. Finally, the benefits and pitfalls of developing MATLAB for the chemical engineering educator is discussed.