Automated Chemical Profiling of Wine by Solution NMR Spectroscopy: A Demonstration for Outreach and Education

Profiling complex chemical mixtures provides a unique opportunity for outreach and education. Here, we develop a teaching module using one-dimensional <sup>1</sup>H nuclear magnetic resonance (NMR) spectroscopy to study wine. The demonstration is delivered at the Georgia Tech NMR Center during the Atlanta Science Festival to 127 visitors from diverse backgrounds, including families with K-12 children. Participants interact with wine samples through cognitive and sensory experiences. Visitors engage with a live demonstration of a high-field NMR spectrometer, including real-time measurement and automated analysis of <sup>1</sup>H NMR spectra for 14 wines. The module enables instructors to showcase how an NMR spectrometer works, quantify 70 wine metabolites, and discuss how chemical composition relates to wine characteristics. Practical examples highlight how <sup>1</sup>H NMR can detect wine fraud. An exit survey suggests that the module increases public interest and excitement for research. Adults report learning factors affecting wine characteristics and the basics for how NMR is applied to research. K-12 students retain information about wine composition and enjoy sensory aspects of the activity. A description of the demonstration's design and implementation is provided to facilitate its adoption in outreach efforts and introductory chemistry courses.

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Publication Details

Journal
Journal of Chemical Education
Published
2026-01-06
DOI
https://doi.org/10.1021/acs.jchemed.5c00652
Primary Topic
Metabolomics and Mass Spectrometry Studies
Type
article
Field-Weighted Citation Impact
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article

Automated Chemical Profiling of Wine by Solution NMR Spectroscopy: A Demonstration for Outreach and Education

Andrew C. McShan, Mary Elizabeth Peek, Johannes Leisen, Hongwei Wu et al.
Journal of Chemical Education
Metabolomics and Mass Spectrometry Studies
article

Automated Chemical Profiling of Wine by Solution NMR Spectroscopy: A Demonstration for Outreach and Education

Andrew C. McShan, Mary Elizabeth Peek, Johannes Leisen, Hongwei Wu, Ruoqing Jia, Miriam K. Simma, Elizabeth A. Corbin, Lily Capeci, F. N. U. Vidya
article en

Abstract

Profiling complex chemical mixtures provides a unique opportunity for outreach and education. Here, we develop a teaching module using one-dimensional <sup>1</sup>H nuclear magnetic resonance (NMR) spectroscopy to study wine. The demonstration is delivered at the Georgia Tech NMR Center during the Atlanta Science Festival to 127 visitors from diverse backgrounds, including families with K-12 children. Participants interact with wine samples through cognitive and sensory experiences. Visitors engage with a live demonstration of a high-field NMR spectrometer, including real-time measurement and automated analysis of <sup>1</sup>H NMR spectra for 14 wines. The module enables instructors to showcase how an NMR spectrometer works, quantify 70 wine metabolites, and discuss how chemical composition relates to wine characteristics. Practical examples highlight how <sup>1</sup>H NMR can detect wine fraud. An exit survey suggests that the module increases public interest and excitement for research. Adults report learning factors affecting wine characteristics and the basics for how NMR is applied to research. K-12 students retain information about wine composition and enjoy sensory aspects of the activity. A description of the demonstration's design and implementation is provided to facilitate its adoption in outreach efforts and introductory chemistry courses.

Journal of Chemical EducationVol. 103(2)
Georgia Institute of Technology (US)
Quality Education
Openalex Percentile: Top 95%
Metabolomics and Mass Spectrometry Studies
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