García-Cansino Laura, Caballero-Casero Noelia, García María Ángeles, Marina María Luisa, Rubio Soledad
Departamento de Química Analítica, Química Física E Ingeniería Química, Universidad de Alcalá, Ctra. Madrid-Barcelona Km. 33.600, Alcalá de Henares, Madrid, 28871, Spain.
Department of Analytical Chemistry, Institute of Chemistry for Energy and the Environment, Universidad de Córdoba, Anexo Marie Curie, Campus de Rabanales, 14071, Córdoba, Spain.
Mikrochim Acta. 2025 Jun 3;192(7):398. doi: 10.1007/s00604-025-07216-8.
Only a minimal fraction of the food contact chemicals (FCCs) estimated to be present in food contact materials (FCMs) have been ever detected (~ 3000 out of 100,000). Identifying as many FCCs as possible is imperative for evaluating their impact on human health. Supramolecular solvent (SUPRAS)-based all-in-one extractions are proposed for the first time for sample treatment of FCMs and combined with liquid chromatography high-resolution mass spectrometry for developing comprehensive suspect screening of FCCs. SUPRASs featuring inverted hexagonal and sponge-like nanostructures were investigated for this purpose. Those produced from 1-decanol in ethanol-water media, behaving as restricted access materials for macromolecules, showed excellent performance in terms of interference removal, reproducibility and number of features detected. Sample treatment was simple (only vortex-shaking and centrifugation is required), fast (FCC extraction and FCM cleanup were integrated in a single step) and sustainable (only 100 µL of SUPRAS per sample is required). An in-house suspect list containing 1389 chemicals was developed for FCCs identification. The approach developed was applied to determine 18 plastic- and Tetra-Brik-based FCMs. Twenty-nine FCCs (9 intentionally and 20 non-intentionally added substances; IAS/NIAS) belonging to eight chemical classes were identified. These FCCs featured a wide polarity range (log P - 5.2 to 9.8), thus proving the ability of SUPRASs to develop comprehensive extraction of FCCs and increase the chance of raising the number of FCCs identified (e.g., 18 out of the 29 FCCs found in this study have not been previously reported in FCMs).
据估计，食品接触材料（FCM）中存在的食品接触化学品（FCC）中，仅有极小一部分被检测到（100000种中约3000种）。尽可能多地识别FCC对于评估它们对人类健康的影响至关重要。首次提出基于超分子溶剂（SUPRAS）的一体化萃取用于FCM的样品处理，并与液相色谱高分辨率质谱联用，以开展FCC的全面可疑物筛查。为此，研究了具有反相六角形和海绵状纳米结构的SUPRAS。那些在乙醇 - 水介质中由1 - 癸醇制备的SUPRAS，对大分子表现出受限进入材料的特性，在去除干扰、重现性和检测到的特征数量方面表现出色。样品处理简单（仅需涡旋振荡和离心）、快速（FCC萃取和FCM净化在一步中完成）且可持续（每个样品仅需100 μL SUPRAS）。开发了一份包含1389种化学品的内部可疑物清单用于FCC识别。所开发的方法应用于测定18种基于塑料和利乐包装的FCM。鉴定出了属于八个化学类别的29种FCC（9种有意添加物质和20种非有意添加物质；IAS/NIAS）。这些FCC具有很宽的极性范围（log P为 -5.2至9.8），从而证明了SUPRAS能够开展FCC的全面萃取，并增加识别出更多FCC的机会（例如，本研究中发现的29种FCC中有18种此前未在FCM中报道过）。
