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Systematic method optimisation approach for small molecule imaging on the SELECT SERIES MALDI MRT - Drug mapping in
Rohith Krishna1, James Langridge2, Emmanuelle Claude2
1Centre for Mass Spectrometry Imaging (The Sheffield Multimodal Imaging Centre), Biomolecular Sciences Research Centre, Sheffield Hallam University, Sheffield, UK.
Analytica Chimica Acta
|April 19, 2025
Summary
Matrix Assisted Laser Desorption Ionisation time-of-flight Mass Spectrometry (MALDI-TOF MS) enhances fingerprint analysis for forensic investigations. This study optimized MALDI-MSI parameters, significantly improving image resolution for identifying trace chemicals and biometric data in fingerprints.
Area of Science:
- Forensic Science
- Analytical Chemistry
- Mass Spectrometry
Background:
- Molecular fingerprinting using Matrix Assisted Laser Desorption Ionisation time-of-flight Mass Spectrometry profiling (MALDI-MSP) and Imaging (MALDI-MSI) offers valuable biometric and lifestyle insights from fingermarks.
- MALDI-MSP and MALDI-MSI are crucial tools for police investigations, necessitating continuous improvements in the quality and scope of forensic intelligence derived from them.
- Advancements in molecular fingerprinting are being explored using a state-of-the-art SELECT SERIES MALDI-MRT mass spectrometer, noted for its sub-ppm mass measurement accuracy and 15 μm spatial resolution.
Purpose of the Study:
- To optimize the performance of the SELECT SERIES MALDI-MRT mass spectrometer for imaging small molecules within fingerprints.
- To systematically determine optimal laser parameters, source voltage, quadrupole MS profile, transfer gas, and RF voltage settings for enhanced fingerprint analysis.
- To improve image resolution for both latent fingerprint imaging and the detection of antipsychotics-contaminated fingerprints.
Main Methods:
- A systematic optimization approach was employed for the MALDI-MRT mass spectrometer.
- Key parameters investigated included laser settings, source voltage, quadrupole MS profile, transfer gas, and RF voltage.
- The developed method was applied to analyze latent fingerprints and fingerprints contaminated with antipsychotics.
Main Results:
- The study successfully determined optimized parameters for the SELECT SERIES MALDI-MRT mass spectrometer.
- The developed method resulted in a significant improvement in image resolution compared to default instrument settings.
- Enhanced molecular fingerprinting capabilities were demonstrated for both latent and contaminated fingerprints.
Conclusions:
- The optimized method significantly enhances the spatial resolution of MALDI-MSI for fingerprint analysis.
- This advancement improves the potential for extracting detailed forensic intelligence from fingermarks.
- The findings support the continued development of MALDI-MSI as a powerful tool in forensic investigations.

