Exploring green methods for extracting nitroexplosives from plant matrices: a chemometric strategy and comparison of enzymatic and conventional methods.

The contamination of agricultural soils with military-grade explosives such as 2,4,6-trinitrotoluene (TNT), 1,3,5-trinitro-1,3,5-triazaccyclohexane (RDX) and 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclohexane (HMX) is an emerging concern in post-conflict regions, where food crops may take up these compounds. This study presents a novel analytical approach for detecting explosive residues in wheat (Triticum aestivum L.) grown on contaminated substrates. The method combines enzyme-assisted extraction, conventional organic solvents, and QuEChERS-based purification to recover target analytes from plant tissues while minimizing matrix effects. This is the first reported use of QuEChERS for nitroexplosive analysis in edible plants. Extraction parameters were optimized using response surface methodology supported by artificial intelligence. Flavourzyme® enabled effective extraction of TNT and RDX under extended conditions, while Viscozyme and Alcalase showed limited extraction efficiency. As a reference point, experiments were also conducted using conventional solvents: acetonitrile (recovery = 100 %) and methanol. This method is an environmentally friendly, sensitive and reliable tool for assessing the presence of hazardous residues in crops, which is important for food safety and agricultural risk management in conflict-affected areas. Additionally, it indicates the potential for using enzymatic extraction to analyse explosive residues and may be the first step towards optimising green analytical methods.