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Updated: Jun 22, 2026

Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain
Published on: March 13, 2020
Modelling the kinetics of ethyl formate sorption by wheat using batch experiments.
James Darby1, Tracy Willis, Katherine Damcevski
1Cooperative Research Centre for National Plant Biosecurity, LPO Box 5012, Bruce ACT 2617, Australia. james.darby@csiro.au
A new model predicts ethyl formate (EF) concentrations in grain and air, ensuring effective pest control and food safety. This approach helps determine optimal fumigation strategies for grain disinfestation using EF as a methyl bromide alternative.
Area of Science:
- Agricultural Science
- Chemical Engineering
- Food Science
Background:
- Ethyl formate (EF) is a potential replacement for methyl bromide in grain disinfestation.
- Rapid sorption of EF by grain can lead to insufficient fumigation and unacceptable residues.
- A sorption kinetics model is needed for safe and effective EF fumigation.
Purpose of the Study:
- To develop a model for ethyl formate sorption kinetics in wheat.
- To identify mass transport processes influencing EF sorption.
- To enable optimized fumigation strategies for disinfestation and food safety.
Main Methods:
- Literature review and experimental data to identify mass transport processes.
- Modeling of EF sorption kinetics, including reaction losses (first-order kinetics) and gas/solid phase transport.
- Determination of model coefficients using batch experimental data and novel gaseous breakdown data.
Main Results:
- Identified key mass transport processes in EF sorption by wheat.
- Developed a model incorporating reaction losses and diffusion.
- Measured novel gaseous breakdown data for EF, confirming first-order kinetics.
Conclusions:
- The model accurately predicts EF concentrations in air and grain for disinfestation and residue assessment.
- The model's framework is adaptable to other fumigant-grain systems.
- It accounts for diffusion and reaction kinetics relevant to industrial fumigation.
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