WS-01 Characterization of natural DOM-techniques and solutions
 
 
 
Poster
Molecular fingerprint database and platform: an exciting path to push frontiers in DOM research
Tuesday 10th @ 1610-1730 , Conference Room 7
WS-01-04
Wednesday 11th @ 1610-1750 Exhibition Hall
Ding He* , Department of Ocean Science and the Southern Marine Science and Engineering Guangdong Laboratory (Guangzhou), The Hong Kong University of Science and Technology, Hong Kong, Hong Kong SAR, China
Yuanbi Yi, Department of Ocean Science and the Southern Marine Science and Engineering Guangdong Laboratory (Guangzhou), The Hong Kong University of Science and Technology, Hong Kong, Hong Kong SAR, China
Chen He, State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Beijing, China
Tongcun Liu, School of Mathematics and Computer Science, Zhejiang A&F University, Hangzhou, China
Penghui Li, School of Marine Sciences, Sun Yat-Sen University, Zhuhai, China
Yulin Qi, Institute of Surface-Earth System Science, School of Earth System Science, Tianjin University, Tianjin, China
Hongyan Bao, State Key Laboratory of Marine Environmental Science, College of Ocean and Earth Sciences, Xiamen University, Xiamen, China
Siliang Li, Institute of Surface-Earth System Science, School of Earth System Science, Tianjin University, Tianjin, China
Thorsten Dittmar, Marine Geochemistry, Institute for Chemistry and Biology of the Marine Environment, Carl von Ossietzky University, Oldenburg, Germany
Quan Shi, State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Beijing, China
Presenter Email: dinghe@ust.hk
[E-poster]

As one of the most effective tools to acquire dissolved organic matter (DOM) molecular information, Fourier ion cyclotron resonance mass spectrometry (FT-ICR MS) is currently widely used in DOM studies, which facilitates understanding DOM in various ecosystems, including rivers, lakes and reservoirs, estuaries, oceans and so on. However, the existing molecular studies are usually independent, and it remains a poor understanding of how DOM is transported along the land-ocean continuum and transformed within various ecosystems. To address this challenge, we combined more than 1500 FT-ICR MS data from the China University of Petroleum (Beijing) across various ecosystems, including lakes, soils, sediments, rivers, estuaries, coasts and oceans, to build a molecular fingerprint database. 

In this database, the sample numbers of different ecosystems, like rivers, soils, lakes and reservoirs, estuaries, and oceans, are over 100 and well separately distributed across China. Currently, the database is composed of ca. 43096 molecular formulas, and the lakes and reservoirs have the highest diversity with the most formulas, 27465, followed by soils with 20270 formulas. Around 6000 formulas persisted in various ecosystems and were mainly distributed in the refractory carboxyl-rich alicyclic molecule (CRAM) area. Besides, we design an online molecular fingerprint platform (MFP) to serve as a foundation for future DOM research. This platform contains data uploading, regulation, comparison and analysis functions, allowing users to upload their data and compare it with our database online to test or motivate their hypothesis in a comprehensive perspective. Collectively, by introducing the molecular fingerprint database and platform, we aim to (1) provide a potential path to ensure existing findings can be somehow comparable; (2) help the community generate a more comprehensive understanding based on case studies; (3) explore unknown but critical DOM “stories” with the help of big data technologies, such as the machine learning and deep learning.