Good vibrations Spring 2025: The newsletter of the ISIS Molecular Spectroscopy User Group
03 Jul 2025
We are pleased to welcome Damien Cevaer, who has joined the Vesuvio instrument team to work on his master’s thesis as part of the Erasmus Mundus MaMaSELF+ master’s program. And Piotr Radomski, who joined the Vesuvio instrument team for an internship to expand competencies and skills under the Polish Minister of science's program, realised within European Funds for Social Development 2021-2027.
News
UK catalysis Hub III launches
The catalysis hub launched on 3 March with £12.5 million EPSRC grant. Ian Silverwood from molecular spectroscopy is a co-I. As part of the hub BAG access for QENS was awarded. It is especially aimed at first time QENS users, support is provided from proposal writing to data analysis. The proposals are accessed by an internal hub panel. Successful proposals are awarded up to 24 h. First experiments were run 7 -10 March.
The application of neutron imaging to examine ethene hydrogenation over a carbon-supported palladium catalysis
Members of the Molecular Spectroscopy Group, in collaboration with Prof David Lennon (Glasgow University) and staff at Johnson Matthey, have ventured across to IMAT to try neutron imaging in the study of heterogeneous catalysts. They have been developing the capability to measure and analyse data recorded for a catalytic reactor in-situ, successfully probing ethene adsorption and hydrogenation on a Pd/C catalyst. They have just published their most recent results in Scientific Reports.
Selective ion transport through hydrated micropores in polymer membranes
Research led by Drs. Qilei Song and Anqi Wang (Imperial College London) has been published in Nature including neutron scattering studies led by Dr. Fabrizia Foglia (University College London). Using QENS measurements from the LET and Iris instruments the authors studied the water dynamics in a new generation of synthetic polymer membranes with intrinsic microporosity, tailoring pore size to optimize transport properties in these industrially important materials.
Data Analysis & Software
Mantid 6.12 is now available on IDAaaS. Improved versions of abINS and abINS2D interfaced with GAUSSIAN16 are now available. We are extending the automated data reduction facility for all MSG instruments and it is already available for Iris, Osiris, Tosca and Vesuvio. Apart from visualising online, these autoreduced data are readily available for analysis on IDAaaS. An improved graphical users interface for MDANSE 2.0 (alpha) complete with documentations and tutorials is available to download. All tutorial files regarding QENS analysis using molecular dynamics presented in the CCP5BioSim workshop and in the MDANSE school 2024 are available here. Online tutorials on QENS and INS experiments and analysis are available on Totara. We welcome feedback on these tutorials.
The next MolSpec user meeting will be on the 8th and 9th September 2025 in Abingdon Save the date!
Next ISIS Call for Proposals LET will not be available this call. TS1&TS2 Deadline: 17:00 16th April 2025 Advice on proposal writing can be found here
Please send any feedback for our group, to our User Group representatives , Maria-Paula Marques and Matthew Pottter.
Upcoming events
https://indico.uis.no/event/52/
https://www.ntnu.edu/web/europacat2025/europacat2025
Science Highlights
Please inform us of your publications arising from ISIS related work. Remember to include ISIS staff as co-authors, when
deemed appropriate, to cite instruments and software, and include a DOI for your experiment.