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              <p>The management of substances present in food contact materials represents a major challenge for integrated safety assessment. In the French national project PackSafe, a generic safety assessment method involving several toxicological parameters was developed. A key hurdle in the toxicological analysis of food packaging extracts is that the solvents typically used for polymer extraction cannot be employed in bioassays due to incompatibility. To address this, a solvent exchange into biocompatible solvents such as ethanol, dimethyl sulfoxide (DMSO), or water is required. However, differences in solvent properties can alter the solubility of extracted molecules, potentially impacting the fidelity of the extract composition. To overcome this challenge, a new method was developed to ensure accurate solvent exchange while preserving the composition of the original extract. The strategy involved adding the biocompatible solvent either before or after the evaporation of the initial extraction solvent. The fidelity of the composition before and after the exchange was assessed using chemometric tools, particularly principal component analysis (PCA) conducted with the Workflow4Metabolomics (W4M) platform. This approach confirmed that adding the biocompatible solvent (DMSO) before evaporation preserved all molecules effectively. Once the solvent exchange was validated, chemical fingerprints of numerous extracts in biocompatible solvents were analyzed to classify them based on their similarity. A wavelet-transform-based signal processing method was applied, allowing the identification of key ions and the creation of unique chemical fingerprints for each sample. This classification system provides a rapid means to distinguish normal extracts from those with atypical compositions, potentially signaling excessive contamination. The developed method offers a reliable and efficient tool for both ensuring solvent exchange fidelity and monitoring food packaging extract safety.</p>
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