高分辨质谱-互联网-地理信息系统三元融合技术绘制中国农药残留地图

如何获得海量农药残留检测结果数据并将其直观、实时地展现在地图上,是当前大数据时代背景下农药残留分析领域的重要研究内容。经过10多年的深入研究,在建立气相色谱-四极杆-飞行时间质谱(GC-Q-TOF/MS)485种和液相色谱-四极杆-飞行时间质谱(LC-Q-TOF/MS)525种农药精确质谱库的基础上,研究开发了非靶向、高通量GC-Q-TOF/MS和LC-Q-TOF/MS联用农药残留检测技术,可适用于1 200种残留农药检测。这使得农药残留检测效率得到了飞跃性的提高,为获得准确可靠的海量农药残留检测结果奠定了基础。文章将海量农药残留检测结果数据与互联网和地理信息技术相结合,研究建立了农药残留可视化系统,该系统由两部分构成:(1)在线制图系统。与Web-GIS技术相结合,并应用数据统计分析方法,创新性地以专题地图的形式,综合使用形象直观的地图、统计图表、报表等表达方式,多形式、多视角、多层次地呈现我国农药残留现状;(2)纸质地图。采用系统的思想集成表达了农药残留的空间分布、农药种类、农产品类型、残留量、毒性、超标情况等多种维度的信息。目前,农药残留可视化系统已经应用于2012—2015年采集于全国31省会/直辖市284县区638个采样点的22 278批水果和蔬菜样品的高分辨质谱农药残留筛查结果中。结果表明,基于三元融合技术构建的农药残留可视化系统,可以直观、实时展现海量农药残留数据,实现了农药残留结果的地图可视化,并将成为我国食品安全风险监控的强有力的工具。这项研究将为"十三五"国家战略发展规划中提出的实现"农药零增长"和"推进健康中国建设"提供技术和科学数据的支撑。

Tri-element Integrated Technology of High Resolution MS, Internet, and Geographical Information System Draw A Map of Pesticide Residues in China

Against the background of big data age, it is important in the research of pesticide residue to find out how to get a huge mass of pesticide residue data and visualize them on the map in real time. After 10 years of in-depth study, a high-throughput high resolution mass spectrometry technique for screening of 1200 pesticide residues by gas chromatography quadrupole time of flight mass spectrometry (GC-QTOF/MS) combined with liquid chromatography quadrupole time of flight mass spectrometry (LC-Q-TOF/MS) was developed based on the accurate database and spectral library of 485 and 525 pesticides by GC-Q-TOF/MS and LC-Q-TOF/MS, respectively. This has improved the detection efficiency of pesticide residue dramatically, and also laid the foundation for obtaining massive pesticide residues detection results accurately and reliably. In this study, a pesticide residue visualization system is established by combining the massive results of pesticide residue with internet and geographic information technology (GIS). The system contains two parts:online cartography system and printed atlas. Online cartography system presents the situations of pesticide residues in China in multi-forms, multi-perspectives, and multi-levels, combining WebGIS technology with applied data statistical analysis methods, and innovatively create a web cartography system integrated using expressions such as thematic maps, statistical charts, and so on. Printed atlas illustrates the multi-dimensional information such as the spatial distribution of pesticide residues, pesticide categories, fruit and vegetable types, residues, toxicities, and excessive situation. At present, the pesticide residue visualization system has been applied to the screening results of pesticide residue of 22,278 fruit and vegetable samples collected from 638 sampling points in 284 counties within 31 provincial capitals/municipalities across the country from 2012 to 2015. It is turned out that the visualization system based on the tri-element integrated technology could show massive pesticide residue data intuitively in real time. This would be a potential and powerful tool for monitoring the risk of food safety in China. And even more important, this research will provide technical support and basic data for the implementation of the state programs of "Zero Increase of Pesticide Use" and "Boosting the Construction of Healthy China" in 13th Five-Year Plan.