Secondary Ion Mass Spectrometry
3D OrbiSIMS
A Time of Flight Secondary Ion Mass Spectrometer (ToF-SIMS) with hybrid OrbiTrapTM functionality, the '3D OrbiSIMS' is the first of its kind in an academic setting. Based on the prototype at the National Physical Laboratory (NPL) the instrument combines the function of the two hybridised components to facilitate an unprecedented level of mass spectral molecular analysis for a range of materials (hard and soft matter, biological cells and tissues). The dual functionality of this hybrid system underpins spatial and mass resolution improvements in chemical identification and imaging that revolutionize mass spectrometry imaging. Most notably the capacity to identify unknown organic species in complex solid samples is dramatically improved. Importantly, the facility is complemented by high pressure freezing cryo-preparation facilities that enable biological samples to be maintained close to their native state. Complemented by the more commonly applied (but more disruptive) freeze drying and sample fixation the 3D OrbiSIMS facility is ideally targeted at soft matter analyses and enables label free molecular analysis. However when the exceptional surface sensitivity (1-3nm) and high mass/spatial resolution are combined with a depth profiling sputtering beam, the instrument becomes an extremely powerful tool for 3D chemical analysis on a multitude of sample types.
Key Features
- High mass resolution spectrometry (>240,000 and 11,000 amu for the OrbiTrap and the ToF, respectively.
- High spatial resolution chemical imaging (<70 nm).
- Gas cluster ion beam sputtering for controlled depth profile analysis of organics.
- Cryogenic sample preparation facility, including high pressure freezing, freeze drying, cryo-ultramicrotomy and more.
- Category 2 preparation facilities for cell/tissue analysis.
Research Highlights
3D MS imaging using dual beam and dual spectrometer (mode 10) of single rat alveolar macrophage cell incubated in media with the drug amiodarone

(a) Sequence of 30 keV Bi3+ (~300-nm resolution) ToF-SIMS images of total ion counts at ~400-nm depths as the cell is sputtered away. (b) As in a, color overlay of phosphocholine marker (m/z 184), gray, nuclear marker (m/z 157), magenta and amiodarone [M+H]+ (m/z 646), green (c) 3D rendering of the cell with phosphocholine marker, (m/z 184, gray, opacity 0.40), nuclear marker (m/z 157, magenta) and amiodarone [M+H]+ (m/z 646), green.
The 3D OrbiSIMS - Label-Free Metabolic Imaging with Sub-cellular Lateral Resolution and High Mass Resolving Power, Passarelli et al., Nature Methods, DOI 10.1038/nmeth.4504
Publications
Development of nanoparticle loaded microneedles for drug delivery to a brain tumour resection site, Muresan P., McCrorie P., Smith F., Vasey C., Taresco V., Scurr D. J., Kern S., Smith S., Gershkovich P., Rahman R., Marlow M., European Journal of Pharmaceutics and Biopharmaceutics, 182, 53-61, 2023.
Identifying new biomarkers of aggressive Group 3 and SHH medulloblastoma using 3D hydrogel models, single cell RNA sequencing and 3D OrbiSIMS imaging, Linke F., Johnson J. E. C., Kern S., Bennett C. D., Lourdusamy A., Lea D., Clifford S. C., Merry C. L. R., Stolnik S., Alexander M. R., Peet A. C., Scurr D. J., Griffiths R. L., Grabowska A. M., Kerr I. D., Coyle B., Acta Neuropathologica Communications, 11, 6, 2023.
Single-Cell Metabolic Profiling of Macrophages Using 3D OrbiSIMS: Correlations with Phenotype, Suvannapruk W., Edney M. K., Kim D.-H., Scurr D. J., Ghaemmaghami A. M., Alexander M. R., Analytical Chemistry, 94, 26, 9389-9398, 2022.
Elucidating the molecular landscape of the stratum corneum, Starr N. J., Khan M. H., Edney M. K., Scurr D. J., PNAS, 119 (12) e2114380119, 2022.
Molecular Formula Prediction for Chemical Filtering of 3D OrbiSIMS Datasets, Edney M. K., Kotowska A. M., Spanu M., Trindade G. F., Wilmot E., Reid J., Barker J., Aylott J. W., Shard A. G., Alexander M. R., Snape C. E., Scurr D. J., Analytical Chemistry, 94, 11, 4703-4711, 2022.
Efficacy of antimicrobial and anti-viral coated air filters to prevent the spread of airborne pathogens, Watson R., Oldfield M., Bryant J. A., Riordan L., Hill H. J., Watts J. A., Alexander M. R., Cox M. J., Stamataki Z., Scurr D. J., de Cogan F., Scientific Reports, 12, 2803, 2022.
Developing Novel Biointerfaces: Using Chlorhexidine Surface Attachment as a Method for Creating Anti-Fungal Surfaces, Bryant J. A., Riordan L., Watson R., Nikoi N. D., Trzaska W., Slope L., Tibbatts C., Alexander M. R., Scurr D. J., May R. C., de Cogan F., Global Challenges, 2100138, 2022.
Detection of Label-Free Drugs within Brain Tissue using Orbitrap Secondary Ion Mass Spectrometry as a Complement to Neuro-Oncological Drug Delivery, McCrorie P., Rowlinson J., Scurr D. J., Marlow M., Rahman R., Pharmaceutics, 14(3), 571, 2022.
A Multifaceted Ferrocene Interlayer for Highly Stable and Efficient Lithium Doped Spiro-OMeTAD-based Perovskite Solar Cells, Webb T., Liu X., Westbrook R. J. E., Kern S., Sajjad M. T., Jenatsch S., Imalka Jayawardena K. D. G., Hashini K. Perera W., Marko I. P., Sathasivam S., Li B., Yavari M., Scurr D. J., Alexander M. R., Macdonald T. J., Haque S. A., Sweeney S. J., Zhang W., Advanced Energy Materials, 12, 26, 2200666, 2022.
The Effect of Temperature on the Molecular Compositions of External and Internal Gasoline Direct Injection Deposits, Edney M. K., Smith E. F., Wilmot E., Reid J., Barker J., Alexander M. R., Snape C. E., Scurr D. J., SAE International, 2021.
A New Particle Mounting Method for Surface Analysis, Dundas A. A., Kern S., Cuzzucoli Crucitti V., Scurr D. J., Wildman R., Irvine D. J., Alexander M. R., Surface and Interface Analysis, 54, 4, 374-380, 2021.
Residual Polymer Stabiliser causes Anisotropic Electrical Conductivity during Inkjet Printing of Metal Nanoparticles, Trindade G. F., Wang F., Im J., He Y., Balogh A., Scurr D., Gilmore I., Tiddia M., Saleh E., Pervan D., Turyanska L., Tuck C. J., Wildman R., Hague R., Roberts C. J., Communications Materials, 2, 47, 2021.
Sequential Orbitrap Secondary Ion Mass Spectrometry and Liquid Extraction Surface Analysis-Tandem Mass Spectrometry-Based Metabolomics for Prediction of Brain Tumor Relapse from Sample-Limited Primary Tissue Archives, Meurs J., Scurr D. J., Lourdusamy A., Storer L. C. D., Grundy R. G., Alexander M. R., Rahman R., Kim D.-H., Analytical Chemistry, 2021.
Direct Immobilization of Engineered Nanobodies on Gold Sensors, Simões B., Guedens W. J., Keene C., Kubiak-Ossowska K., Mulheran P., Kotowska A. M., Scurr D. J., Alexander M. R., Broisat A., Johnson S., Muyldermans S., Devoogdt N., Adriaensens P, Mendes P. M., ACS Applied Materials & Interfaces, 13(15), 17353-17360, 2021.
The use of nanovibration to discover specific and potent bioactive metabolites that stimulate osteogenic differentiation in mesenchymal stem cells, Hodgkinson T., Tsimbouri P. M., Llopis-Hernandes V., Campsie P., Scurr D., Childs P. G., Phillips D., Donnelly S., Wells J. A., O'Brien F. J., Salmeron-Sanchez M., Burgess K., Alexander M., Vassalli M., Oreffo R. O. C., Reid S., France D. J., Dalby M. J., Science Advances, 7(9), eabb7921, 2021
Internal Diesel Injector Deposit Chemical Speciation and Quantification Using 3D OrbiSIMS and XPS Depth Profiling, Lamb J. S., Barker J., Wilmot E., Scurr D. J., Snape C. E., Smith E. F., Alexander M. R., Reid J.,SAE International Journal of Advances and Current Practices in Mobility, 3, 349-364, 2020.
Protein Identification by 3D OrbiSIMS to Facilitate in situ Imaging and Depth Profiling, Kotowska A. M., Trindade G. F., Mendes P. M., Williams P. M., Aylott J. W., Shard A. G., Alexander M. R., Scurr D. J., Nature Communications, 11(5832), 2020
Mechanisms of Lipid Preservation in Archaeological Clay Ceramics Revealed by Mass Spectrometry Imaging, Hammann S., Scurr D. J., Alexander M. R., Cramp L. J. E., Proceedings of the National Academy of Sciences of the United States of America (PNAS), 117(26), 14688-14693, 2020
Immune Modulation by Design: Using Topography to Control Human Monocyte Attachment and Macrophage Differentiation, Vassey M. J., Figueredo G. P., Scurr D. J., Vasilevich A. S., Vermeulen S., Carlier A., Luckett J., Beijer N. R. M., Williams P., Winkler D. A., de Boer J., Ghaemmaghami A. M., Alexander M. R., Advanced Science, 7(11), 2020
Cryo-OrbiSIMS for 3D Molecular Imaging of a Bacterial Biofilm in its Native State, Zhang J., Brown J., Scurr D. J., Bullen A., MacLellan-Gibson K., Williams P., Alexander M. R., Hardie K. R., Gilmore I. S., Rakowska P. D., Analytical Chemistry, 92(13), 9008-9015, 2020
Spatially Resolved Molecular Compositions of Insoluble Multilayer Deposits Responsible for Increased Pollution from Internal Combustion Engines, Edney M. K., Lamb J. S., Spanu M., Smith E. F., Steer E., Wilmot E., Reid J., Barker J., Alexander M. R., Snape C. E., Scurr D. J., ACS Applied Materials & Interfaces, 12(45), 51026-51035, 2020