科研

Last updated: 2026-07-27

For a complete list of publications, please see my Google Scholar profile.

1. Mass Spectrometry Imaging

1.1 Introduction

Mass spectrometry imaging (MSI) is a label-free analytical technique that maps the identity, relative abundance, and spatial distribution of molecules directly in biological samples. Unlike histochemical staining, MSI does not require preselected targets, antibodies, or chemical labels. Its ability to combine chemical specificity with intuitive spatial visualization has made it increasingly popular.

The most widely used MSI platforms are matrix-assisted laser desorption/ionization (MALDI), desorption electrospray ionization (DESI), and secondary ion mass spectrometry (SIMS). Although they differ in spatial resolution, chemical coverage, and acquisition speed, all scan a probe across the sample surface while recording a mass spectrum at each location (Fig. 1).

After acquisition, the intensity of a selected m/z value is extracted from each spectrum and displayed as a pseudo-color image. This image shows the spatial distribution of the corresponding ion, which may be assigned to a specific compound. Because an image can be generated for every detected m/z peak, MSI is both untargeted and highly multiplexed, producing tens to thousands of molecular images in a single experiment. These images can also be overlaid or co-registered with optical images for detailed spatial analysis.

Schematic overview of MALDI mass spectrometry imaging
Fig. 1. Schematic overview of MALDI imaging.

1.2 Representative publications

2. Metabolomics

2.1 Introduction

Metabolomics uses analytical techniques to study small molecules, or metabolites, in biological samples. Two main strategies are commonly used:

Untargeted metabolomics aims to detect as many metabolites as possible without requiring prior knowledge of their identities. Results are usually semi-quantitative and reported as relative peak intensities or areas.

Targeted metabolomics measures a defined set of known metabolites, typically using authentic standards to determine their absolute concentrations.

2.2 Representative publications

3. Stable Isotope Labeling

3.1 Introduction

Stable isotopes have the same number of protons as common elements but differ in neutron number and mass. Consequently, labeled metabolites and their unlabeled counterparts generally behave similarly during liquid chromatography but can be distinguished by mass spectrometry. Stable isotope labeling (SIL) is widely used for metabolite identification, quantification, pathway analysis, and structural elucidation.

In global SIL, isotopes are supplied through major nutrient sources to label most endogenously produced metabolites. In tracer-based SIL, a specific labeled substrate is administered to track its incorporation, metabolic fate, and flux through selected pathways.

3.2 Representative publications

4. Chemoinformatics

4.1 Introduction

Both mass spectrometry imaging (MSI) and metabolomics studies generate increasingly complex datasets. Their comprehensive analysis requires specialized and efficient methods from chemoinformatics and statistics.

In addition to routine MSI and metabolomics data analysis, I actively develop new analytical methods and software tools for both fields (Fig. 4). I primarily use R and Python.

Overview of software tools for MSI and metabolomics
Fig. 4. Overview of my software tools.

4.2 Software I have developed

4.3 Representative publications