UG Summer Placement 2025 - University of Southampton
TSN ROKSApplied crystallisation with chaperones: a pathway for structurally characterising challenging samples using X-ray- and Electron-Diffraction
Location: The National Crystallography Service, University of Southampton
Supervised by: Dr James Orton
Duration: 8 weeks
Rate of pay: £12.60 per hour
Knowledge of three-dimensional molecular structure is fundamental to understanding much of modern chemistry, and it is absolutely vital for developing materials within electronic, catalytic and energy storage applications. The Crystal Sponge (CS) method offers an innovative pathway for structural characterisation of challenging samples, nominally considered to be beyond the scope of traditional crystallography, due to being uncrystallisable or on ultra small scale, etc. This approach involves the introduction of a guest compound (the challenging analyte) into a porous host, often a crystalline Metal Organic Framework (MOF). With sufficient affinity for the host, the guest aligns within the framework and then a single-crystal X-ray analysis of the combined host/guest material enables the direct structural elucidation of the accommodated analyte.
We are also developing co-crystal approaches to complement our efforts with porous materials. Akin to CS, intentionally designed co-crystallisation agents (‘chaperones’), have also enabled the structural characterisation of “uncrystallisable” analyte by acting as binders to them. Understanding the factors which influence analyte affinity is key to the effective use of chaperones. What specific molecule – molecule interactions determine this process, and how can chaperones be modified to tailor these interactions for various, different analyte classes.
The successful applicant will be preparing co-crystallisation experiments in the laboratory and then analysing them within our world-class facility. They will be assisted in combining information from literature with their own experimental outcomes, then designing and undertaking further rounds of experiments. This project will help us understand the use such crystal chaperones, as well as begin to explore and identify the factors which influence their action.
Learning Outcomes
The applicant will be embedded within NCS’ highly skilled and knowledgeable team; offering a unique and varied blend of learning opportunities, skill acquisition and hands-on experience. The successful applicant will learn about the many moving parts required to deliver our analytical service, both to our domestic and international academic users and to industry. From sample management and scheduling, instrument operation and maintenance to administration, procurement, outreach and publications.
The mainstay of the project will focus on the systematic study of the crystal chaperone materials. We envisage the acquisition of several novel crystal structures to result from this work (which may well contribute towards a publication). We also expect that this study to inform us of promising new future directions to take this research into these crystal chaperone materials.
By the end of the internship, the student will be able to/have knowledge of:
- the successful running of a busy analytical facility
- crystalline sample analysis by diffraction experiments
- solve and understand routine single crystal diffraction data
- produce and interpret suitable COSHH and Chemical Risk Assessment documentation
- conduct co-crystallisation experiments
- identify and recommend the application of additional analytical techniques (e.g. pXRD, MS, NMR, DSC)
- identify features of promising chaperone materials from structural database and literature searches