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Functional Complementation Analysis FCA: A Laboratory Exercise Designed and Implemented to Supplement the Teaching of Biochemical Pathways
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Activity: Teaching Coding in R through Discipline-Focused Problem-Solving in an Analytical Chemistry Course.

Simon D Weaver1, G Alex Ambrose2, Rebecca J Whelan3

  • 1Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States; Integrated Biomedical Sciences Graduate Program, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Journal of Chemical Education
|September 24, 2025
PubMed
Summary

This study introduces coding skills to chemistry students using R and RStudio, addressing a critical gap in data analysis for the chemical industry. Students learned valuable programming techniques applicable to future scientific research and projects.

Keywords:
Analytical ChemistryBioanalytical ChemistryChromatographyComputer-Based LearningGraduate Education/ResearchInquiry-Based/Discovery LearningMass SpectrometryProteins/PeptidesUpper-Division Undergraduate

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Area of Science:

  • Chemistry Education
  • Computational Chemistry
  • Bioanalytical Chemistry

Background:

  • Undergraduate chemistry curricula often lack formal computer programming training.
  • Graduating chemistry students frequently lack essential coding skills for data acquisition, analysis, and presentation.
  • This skills gap disadvantages students in data-intensive chemical industry and research settings.

Purpose of the Study:

  • To integrate coding instruction into the analytical chemistry curriculum in an accessible, discipline-focused manner.
  • To develop coding tasks adaptable for novice programmers, focusing on existing code.
  • To equip chemistry students with practical data analysis and statistical programming skills using R.

Main Methods:

  • Developed an educational activity using R and RStudio, a statistical programming environment.
  • Employed peptide charge as a central bioanalytical chemistry topic across four modules.
  • Incorporated applications relevant to chromatography and mass spectrometry.
  • Structured tasks with increasing difficulty, building upon foundational concepts.

Main Results:

  • The activity was successfully implemented with advanced undergraduate and graduate students.
  • Pre-activity surveys indicated limited prior experience with R or coding among students.
  • Post-activity surveys showed high student satisfaction, reporting the activity as enjoyable, efficient, effective, and easy to use.
  • A majority of students expressed intent to utilize R/RStudio for future scientific projects.

Conclusions:

  • Coding skills can be effectively introduced into analytical chemistry curricula.
  • Adapting existing code provides an accessible entry point for novice programmers in chemistry.
  • The R/RStudio activity enhances students' data analysis capabilities and preparedness for scientific careers.
  • Students perceive R/RStudio as a valuable tool for both chemistry and non-chemistry related scientific endeavors.