Institute of Analytical Chemistry, Johannes Kepler University Linz, Altenberger Strasse 69, 4040, Linz, Austria.
Anal Bioanal Chem. 2020 Mar;412(8):1817-1824. doi: 10.1007/s00216-020-02429-7. Epub 2020 Jan 22.
Investigations into the interaction of xenobiotics with plants (and in particular edible plants) have gained substantial interest, as water scarcity due to climate-change-related droughts requires the more frequent use of reclaimed wastewaters for irrigation in agriculture. Non-steroidal anti-inflammatory drugs are common contaminants found in wastewater treatment plant effluents. For this reason, the interaction of nine edible plants with diclofenac (DCF), a widely used representative of this group of drugs, was investigated. For this purpose, plants were hydroponically grown in a medium containing DCF. For the detection of unknown DCF-related metabolites formed in the plant upon uptake of the parent drug' a new workflow based on the use of HPLC coupled to drift-tube ion-mobility quadrupole time-of-flight/mass spectrometry (DTIM QTOF-MS) was developed. Thereby' for chromatographic peaks eluting from the HPLC, drift times were recorded, and analytes were subsequently fragmented in the DTIM QTOF-MS to provide significant fragments. All information available (retention times, drift times, fragment spectra, accurate mass) was finally combined' allowing the suggestion of molecular formulas for 30 DCF-related metabolites formed in the plant, whereby 23 of them were not yet known from the literature.
对植物（特别是可食用植物）与外来化合物相互作用的研究引起了广泛关注，因为气候变化引起的干旱导致水资源短缺，需要更频繁地使用再生废水进行农业灌溉。非甾体抗炎药是废水中常见的污染物。出于这个原因，研究了九种可食用植物与双氯芬酸（DCF）的相互作用，DCF 是该类药物的广泛代表。为此，植物在含有 DCF 的营养液中进行水培生长。为了检测植物在吸收母体药物后形成的未知 DCF 相关代谢物，开发了一种基于使用高效液相色谱法（HPLC）与漂移管离子迁移四极杆飞行时间/质谱（DTIM QTOF-MS）联用的新工作流程。通过这种方法，记录了从 HPLC 洗脱的色谱峰的漂移时间，并在 DTIM QTOF-MS 中对分析物进行碎片化，以提供重要的碎片。最终将所有可用信息（保留时间、漂移时间、碎片谱、精确质量）结合起来，提出了 30 种在植物中形成的与 DCF 相关的代谢物的分子公式，其中 23 种在文献中尚不清楚。
