Researchers unlock new way to map molecular structure on surfaces

3 minute read

Scientists at NPL, with the University of Surrey, University of Oxford, the Francis Crick Institute and IONTOF GmbH, have developed a technique to distinguish and map molecules that share the same chemical formula and mass but have different structures and functions. The research is published today (19 October) in Nature Communications. 

Using Orbitrap Secondary Ion Mass Spectrometry (OrbiSIMS), a technique innovated at NPL, the team exploited structure-dependent ion dissociation and gas-phase effects during ion transmission to create a new analytical dimension, which provided structure-sensitive molecular imaging directly from surfaces, without additional sample preparation. The researchers validated the method by distinguishing the isomeric trisaccharides raffinose, maltotriose and melezitose. 

Because small structural differences govern molecular recognition, biological activity and material behaviour, the capability opens opportunities in glycomics, lipid and metabolite imaging, biomaterials and biointerfaces. 

The advance supports NPL’s Life Sciences and Health route to impact by strengthening national infrastructure for trusted, comparable molecular-level data. It could accelerate biomarker, drug and therapy discovery and validation, underpin consistent measurements across instruments, sites and workflows, and provide evidence to de-risk diagnostics, treatments, delivery systems and interfaces as they move towards adoption in NHS care. 

By combining isomer identification with spatial localisation, OrbiSIMS can reveal how functionally distinct biomolecules are organised in complex systems, supporting deeper biological insight and, ultimately, earlier diagnosis and more effective, personalised treatment.

View the paper here

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