Intelligent natural product identification, new compound discovery, construction of material basis database

1. Investigation of fragmentation pattern of different types of compounds from traditional Chinese medicines based on multistage mass spectrometry, and development of intelligent structural identification strategy through the combination of expert knowledge and artificial intelligent technology.

2. Design of new compound discovery strategy by development of high selective separation approach and deep data mining technology, and characterization of material basis in traditional Chinese medicines.

3. Construction of database regarding the material basis of Chinese medicine formulae and Chinese herbs, covering the structures, contents and related information of chemical components in traditional Chinese medicine.

Ph.D. in Analytical Chemistry, Dalian Institute of Chemical Physics, CAS, 2009/09 - 2015/07

B.S. in Chemistry, Xiamen University, 2005/09 - 2009/07

Research group leader, Dalian Institute of Chemical Physics, CAS, 2024/01 - present

Associate Professor, Dalian Institute of Chemical Physics, CAS, 2020/07 - present

Research Assistant, Dalian Institute of Chemical Physics, CAS, 2015/07 - 2020/06

1. Boquan Qu, Yanfang Liu*, Aijin Shen*, Zhimou Guo*, Long Yu, et al., Combining multidimensional chromatography-mass spectrometry and feature-based molecular networking methods for the systematic characterization of compounds in the supercritical fluid extract of Tripterygium wilfordii Hook F. Analyst, 2022, 148, 61-73.

2. Wei Si#, Lele Xiong#, Han Zhou, Aijin Shen*, Xinmiao Liang*, et al., Comprehensive characterization of ingredients in Crocus sativus L. from different origins based on the combination of targeted and nontargeted strategies. Food Chemistry, 2022, 397, 133777.

3.  Wenyi Yu#, Cai Fu#, Aijin Shen*, Yanfang Liu*, Xinmiao Liang, et al., Integrated strategy for identifying isoflavones in Belamcandae Rhizoma based on the combination of mass defect filtering and neutral-loss-triggered multistage fragmentation. Journal of Chromatography A, 2022, 1679, 463379.

4.  Aijin Shen^#, Weijia Zhou^#, Lele Xiong, Yanfang Liu^*, Xinmiao Liang, et al., Chemical profiling of Qingfei Paidu Decoction by triplex off-line two-dimensional liquid chromatography coupled with quadrupole time-of-flight mass spectrometry. Journal of Separation Science, 2022, 45, 1162-1169.

5.  Wei Si, Dongping Yu, Aijin Shen^*, Yanfang Liu^*, Xinmiao Liang, et al., A strategy for efficient enrichment of steroidal alkaloids from Fritillaria based on fluorinated reversed-phase stationary phase. Journal of Separation Science, 2021, 44, 3441-3449.

6.  Ruting Xiao^#, Aijin Shen^#, Gaowa Jin, Zhimou Guo^*, Jing Zeng^*, et al., Synthesis and chromatographic evaluation of a new stationary phase based on mild thiol-Michael addition reaction. Journal of Chromatography A, 2020, 1617.

7.  Wei Si^#, Yali Qiao^#, Zhe Liu, Aijin Shen^*, Xinmiao Liang^*, et al., Combination of multi-model statistical analysis and quantitative fingerprinting in quality evaluation of Shuang-huang-lian oral liquid. Analytical and bioanalytical chemistry, 2020, 412, 7073-7083.

8.  Aijin Shen^#, Jie Wei^#, Zhimou Guo^*, Feifang Zhang^*, Xinmiao Liang, et al., Two-dimensional solid-phase extraction strategy for the selective enrichment of aminoglycosides in milk. Journal of Separation Science, 2017, 40, 1099-1106.

9.   Jie Wei^#, Aijin Shen^#, Zhimou Guo^*, Feifang Zhang^*, Xinmiao Liang, et al., Separation analysis of macrolide antibiotics with good performance on a positively charged C18HCE column. Journal of Separation Science, 2016, 39, 1073-1081.

10.  Aijin Shen, Zhimou Guo, Xinmiao Liang^*, Development and Application of Hydrophilic Interaction Liquid Chromatographic Stationary Phases. Progress in Chemistry, 2014, 26, 10-18.

11.  Aijin Shen, Xiuling Li, Xuefang Dong, Zhimou Guo^*, Xinmiao Liang^*, et al., Glutathione-based zwitterionic stationary phase for hydrophilic interaction/cation-exchange mixed-mode chromatography. Journal of Chromatography A, 2013, 1314, 63-69.

12.  Aijin Shen, Zhimou Guo^*, Xiaoming Cai, Xingya Xue, Xinmiao Liang^*, Preparation and chromatographic evaluation of a cysteine-bonded zwitterionic hydrophilic interaction liquid chromatography stationary phase. Journal of Chromatography A, 2012, 1228, 175-182.

13.  Aijin Shen, Zhimou Guo^*, Long Yu, Liwei Cao, Xinmiao Liang^*, A novel zwitterionic HILIC stationary phase based on "thiol-ene" click chemistry between cysteine and vinyl silica. Chemical Communications, 2011, 47, 4550-4552.