Jožef Stefan Institute, Department of Environmental Sciences, Jamova 39, Ljubljana, Slovenia.
Water and Soil Quality Research Group, Department of Environmental Chemistry, Institute of Environmental Assessment and Water Research (IDAEA-CSIC), Jordi Girona 18-26, E-08034 Barcelona, Spain.
Sci Total Environ. 2018 Jan 1;610-611:892-904. doi: 10.1016/j.scitotenv.2017.08.061. Epub 2017 Aug 19.
This study aims to identify (bio)transformation products of vincristine, a plant alkaloid chemotherapy drug. A batch biotransformation experiment was set-up using activated sludge at two concentration levels with and without the addition of a carbon source. Sample analysis was performed on an ultra-high performance liquid chromatograph coupled to a high-resolution hybrid quadrupole-Orbitrap tandem mass spectrometer. To identify molecular ions of vincristine transformation products and to propose molecular and chemical structures, we performed data-dependent acquisition experiments combining full-scan mass spectrometry data with product ion spectra. In addition, the use of non-commercial detection and prediction algorithms such as MZmine 2 and EAWAG-BBD Pathway Prediction System, was proven to be proficient for screening for transformation products in complex wastewater matrix total ion chromatograms. In this study eleven vincristine transformation products were detected, nine of which were tentatively identified.
本研究旨在鉴定长春新碱(一种植物生物碱化疗药物)的(生物)转化产物。采用两个浓度水平的活性污泥进行批量生物转化实验,分别在有无添加碳源的情况下进行。采用超高效液相色谱-高分辨率混合四极杆-轨道阱串联质谱仪对样品进行分析。为了鉴定长春新碱转化产物的分子离子,并提出分子和化学结构,我们进行了数据依赖型采集实验,将全扫描质谱数据与产物离子谱相结合。此外,使用非商业性的检测和预测算法,如 MZmine 2 和 EAWAG-BBD 途径预测系统,被证明能够熟练地筛选复杂废水基质总离子色谱中的转化产物。在本研究中,检测到 11 种长春新碱转化产物,其中 9 种为暂定鉴定。