Chemometrics for Quantitative Determination of Terpenes Using Attenuated Total Reflectance–Fourier Transform Infrared Spectroscopy: A Pedagogical Laboratory Exercise for Undergraduate Instrumental Analysis Students (Record no. 44885)
[ view plain ]
| 000 -LEADER | |
|---|---|
| fixed length control field | 02808nam a22002657a 4500 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20231116105641.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 231020b ||||| |||| 00| 0 eng d |
| 022 ## - INTERNATIONAL STANDARD SERIAL NUMBER | |
| ISSN | 0021-9584 |
| 037 ## - SOURCE OF ACQUISITION | |
| Source of stock number/acquisition | RIEBPL Library |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 540.7 |
| 100 ## - MAIN ENTRY--AUTHOR NAME | |
| Personal name | Gerard G. Dumancas et al... |
| 245 ## - TITLE STATEMENT | |
| Title | Chemometrics for Quantitative Determination of Terpenes Using Attenuated Total Reflectance–Fourier Transform Infrared Spectroscopy: A Pedagogical Laboratory Exercise for Undergraduate Instrumental Analysis Students |
| Remainder of title | (Journal Article) |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) | |
| Place of publication | USA |
| Name of publisher | :American Chemical Society |
| Year of publication | August 2023 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Number of Pages | 3050-3060 P. |
| 490 ## - SERIES STATEMENT | |
| Series statement | American Chemical Society, Volume 100, Issue 8 |
| 505 ## - FORMATTED CONTENTS NOTE | |
| Formatted contents note | ***______{For Hard Copy, Please visit Library.}________*** |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc | Abstract<br/> <br/>Chemometric techniques such as partial least-squares (PLS) regression have been applied with huge success to a wide array of chemical problems including multicomponent analysis of analytes in complex mixtures. Despite this, there are few examples of laboratory pedagogical exercises that involve students in the acquisition of chemical data from infrared spectroscopic-based instrumentation, followed by quantitative chemometric analysis using PLS. In this article, we present a computational activity that introduces undergraduate students in an instrumental analysis laboratory setting to data acquisition using attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy followed by data analysis using PLS. The first part of the activity involved students creating mixture designs of binary terpene components consisting of p-cymene and limonene. These mixtures were then analyzed using an ATR-FTIR spectrometer, where students became familiarized with the instrument and were shown how to characterize and differentiate the aforementioned terpenes using their generated FTIR spectra. The second part of the activity involved preprocessing the acquired FTIR spectral data from the first part followed by the simultaneous quantitative determination of the prepared terpenes using PLS. On the basis of student surveys, it can be concluded that this convenient and inexpensive activity was ultimately successful in introducing students to the use of chemometrics for quantitative analysis of terpenes using an ATR-FTIR. This easy-to-do two-week activity can be used as a standalone for instrumental analysis laboratory classes and can even be integrated in advanced courses in applied spectroscopy and chemometrics.<br/><br/><br/> |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical Term | upper-division undergraduate |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical Term | analytical chemistry |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical Term | computer-based learning |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical Term | chemometrics IR |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical Term | spectroscopy spectroscopy |
| 856 ## - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | https://pubs.acs.org/doi/epdf/10.1021/acs.jchemed.3c00358 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | Periodicals |
| Lost status | Damaged status | Home library | Current library | Date acquired | Full call number | Koha item type |
|---|---|---|---|---|---|---|
| RIE BPL Library | RIE BPL Library | 16.11.2023 | 540.7 | Periodicals |