Journal Highlight: Comparative chemometric analysis for classification of acids and bases via a colorimetric sensor array

Skip to Navigation

Ezine

  • Published: Nov 13, 2017
  • Author: spectroscopyNOW
  • Channels: Chemometrics & Informatics
thumbnail image: Journal Highlight: Comparative chemometric analysis for classification of acids and bases via a colorimetric sensor array

An 8 sensor colorimetric array was used to analyze acid and basic samples to determine whether PCA, HCA, or LDA is the best chemometric method for classification quantification of analytes within clusters.

Comparative chemometric analysis for classification of acids and bases via a colorimetric sensor array

Journal of Chemometrics, 2017, online
Michael J. Kangas, Raychelle M. Burks, Jordyn Atwater, Rachel M. Lukowicz, Billy Garver and Andrea E. Holmes

Abstract: With the increasing availability of digital imaging devices, colorimetric sensor arrays are rapidly becoming a simple, yet effective tool for the identification and quantification of various analytes. Colorimetric arrays utilize colorimetric data from many colorimetric sensors, with the multidimensional nature of the resulting data necessitating the use of chemometric analysis. Herein, an 8 sensor colorimetric array was used to analyze select acid and basic samples (0.5 – 10 M) to determine which chemometric methods are best suited for classification quantification of analytes within clusters. PCA, HCA, and LDA were used to visualize the data set. All three methods showed well-separated clusters for each of the acid or base analytes and moderate separation between analyte concentrations, indicating that the sensor array can be used to identify and quantify samples. Furthermore, PCA could be used to determine which sensors showed the most effective analyte identification. LDA, KNN, and HQI were used for identification of analyte and concentration. HQI and KNN could be used to correctly identify the analytes in all cases, while LDA correctly identified 95 of 96 analytes correctly. Additional studies demonstrated that controlling for solvent and image effects was unnecessary for all chemometric methods utilized in this study.

  • This paper is free to view for all users registered on spectroscopyNOW.com until the end of January 2018.
    After this time, you can purchase it using Pay-Per-View on Wiley Online Library.

Follow us on Twitter!

Social Links

Share This Links

Bookmark and Share

Microsites

Suppliers Selection
Societies Selection

Banner Ad

Click here to see
all job opportunities

Most Viewed

Copyright Information

Interested in separation science? Visit our sister site separationsNOW.com

Copyright © 2017 John Wiley & Sons, Inc. All Rights Reserved