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Use of Uncertainty Calculation Software as a Didactic Tool to Improve the Knowledge of Chemistry Students in Analytical Method Validation

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Title: Use of Uncertainty Calculation Software as a Didactic Tool to Improve the Knowledge of Chemistry Students in Analytical Method Validation
Authors: Maria Cerrato-Alvarez (ORCID 0000-0002-4057-4493), Samuel Frutos-Puerto (ORCID 0000-0002-2026-9205), Eduardo Pinilla-Gil (ORCID 0000-0001-5873-7580)
Source: Journal of Chemical Education. 2024 101(1):104-112.
Availability: Division of Chemical Education, Inc. and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc
Peer Reviewed: Y
Page Count: 9
Publication Date: 2024
Document Type: Journal Articles
Reports - Descriptive
Education Level: Higher Education
Postsecondary Education
Descriptors: Computation, Computer Software, Teaching Methods, Knowledge Level, Chemistry, Science Instruction, Validity, Undergraduate Students, Science Laboratories, Science Experiments, Laboratory Experiments
DOI: 10.1021/acs.jchemed.3c00102
ISSN: 0021-9584
1938-1328
Abstract: Calculating analytical uncertainties as a part of method validation is a relevant aspect of field and laboratory practices in instrumental analytical chemistry subjects, which usually require complex algorithms. This work describes the development and didactic use of an automatic and straightforward informatics tool, implemented in an Excel macro, for calculating and interpreting the uncertainty of an analytical method against a reference method on field measurements. The software was initially developed for field testing of low-cost air quality monitoring analytical methods against reference methods, and the present work shows its adaptation to a didactic environment. The uncertainty calculation software was implemented through an Excel macro based on Visual Basic as a graphical user interface. It finds a best-fit line that describes the relation between concentrations determined by the candidate and reference methods. The software generates the analytical validation results (slope and intercept with their respective confidence limits, and expanded uncertainty of a concentration determined by the candidate method), hiding the intermediate functions and calculations. The Excel interface eases uncertainty calculations for undergraduate students, although the background mathematics can be quickly unveiled to students for didactic purposes. This tool has been applied to a laboratory exercise focused on validating experimental results obtained in the measurement of ozone levels in ambient air by passive sampling and spectrophotometric detection. The uncertainty calculation software has proved valuable by providing the student a resource to check the analytical quality of the data generated in the laboratory, while assimilating the fundamentals behind the calculations.
Abstractor: As Provided
Entry Date: 2024
Accession Number: EJ1444511
Database: ERIC
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  Data: Use of Uncertainty Calculation Software as a Didactic Tool to Improve the Knowledge of Chemistry Students in Analytical Method Validation
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  Data: <searchLink fieldCode="AR" term="%22Maria+Cerrato-Alvarez%22">Maria Cerrato-Alvarez</searchLink> (ORCID <externalLink term="https://orcid.org/0000-0002-4057-4493">0000-0002-4057-4493</externalLink>)<br /><searchLink fieldCode="AR" term="%22Samuel+Frutos-Puerto%22">Samuel Frutos-Puerto</searchLink> (ORCID <externalLink term="https://orcid.org/0000-0002-2026-9205">0000-0002-2026-9205</externalLink>)<br /><searchLink fieldCode="AR" term="%22Eduardo+Pinilla-Gil%22">Eduardo Pinilla-Gil</searchLink> (ORCID <externalLink term="https://orcid.org/0000-0001-5873-7580">0000-0001-5873-7580</externalLink>)
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  Data: Division of Chemical Education, Inc. and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc
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  Data: Calculating analytical uncertainties as a part of method validation is a relevant aspect of field and laboratory practices in instrumental analytical chemistry subjects, which usually require complex algorithms. This work describes the development and didactic use of an automatic and straightforward informatics tool, implemented in an Excel macro, for calculating and interpreting the uncertainty of an analytical method against a reference method on field measurements. The software was initially developed for field testing of low-cost air quality monitoring analytical methods against reference methods, and the present work shows its adaptation to a didactic environment. The uncertainty calculation software was implemented through an Excel macro based on Visual Basic as a graphical user interface. It finds a best-fit line that describes the relation between concentrations determined by the candidate and reference methods. The software generates the analytical validation results (slope and intercept with their respective confidence limits, and expanded uncertainty of a concentration determined by the candidate method), hiding the intermediate functions and calculations. The Excel interface eases uncertainty calculations for undergraduate students, although the background mathematics can be quickly unveiled to students for didactic purposes. This tool has been applied to a laboratory exercise focused on validating experimental results obtained in the measurement of ozone levels in ambient air by passive sampling and spectrophotometric detection. The uncertainty calculation software has proved valuable by providing the student a resource to check the analytical quality of the data generated in the laboratory, while assimilating the fundamentals behind the calculations.
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