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  Automated Flow Synthesis: In-Line Reaction Monitoring and Machine Learning for the Optimisation of Continuous Flow Photocatalytic Reactions


   School of Engineering & Physical Sciences

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  Dr Ai-Lan Lee, Dr F Vilela, Dr Joao Mota  Applications accepted all year round  Funded PhD Project (UK Students Only)

About the Project

This 3.5-year funded PhD opportunity will be a collaborative project with Vapourtec Ltd in the Lee, Vilela and Mota research groups at Heriot-Watt University, Edinburgh, on Synthetic Organic Chemistry, Flow Chemistry and Machine Learning.

Please contact Dr Ai-Lan Lee ([Email Address Removed]) for further details

This 3.5-year studentship is a collaborative project on synthetic organic chemistry, flow chemistry, and machine learning. It will be co-supervised by Dr Ai-Lan Lee, Dr Filipe Vilela and Dr Joao Mota at Heriot-Watt University, Edinburgh, in collaboration with Duncan Guthrie at Vapourtec Ltd. The PhD studentship includes the opportunity for up to 6 months industrial placement at Vapourtec Ltd. in Cambridgeshire.

The project will utilise in-line benchtop NMR and/or UV-vis monitoring of continuous flow photocatalytic radical decarboxylation reactions, exploiting real time data analytics in a digital feedback-loop to optimise several reaction parameters. Photocatalytic direct C-H Minisci functionalisations of heterocycles will be developed and optimised in this way, as these scaffolds are highly relevant to drug discovery programmes. Our system will enable technology for more efficient photocatalytic reactions including scale up processes compared to batch reactions.

Lee Group website: https://leegroup.site.hw.ac.uk/

Funding notes: 

Candidates should have a strong background in Synthetic Chemistry and have obtained a 1st or 2:1 MChem (Hons) or equivalent degree by August 2023. Knowledge of a high-level programming language like Matlab or Python as well as a good mathematical background are desirable, but not necessary.

The 3.5 year studentship includes a stipend (of minimum £17,668 per year, untaxed) and all tuition fees. A 1st October 2023 start date is preferred, or soon thereafter, latest by Jan 2024.

Applications

Informal enquiries should be directed to Dr Ai-Lan Lee: [Email Address Removed]

Formal applications should be made via Heriot-Watt University’s online application form:

https://www.hw.ac.uk/study/apply/uk/postgraduate.htm

When applying through the Heriot-Watt on-line system please ensure you provide the following information:

(a) in ‘Study Option’

You will need to select ‘Edinburgh’ and ‘Postgraduate Research’. ‘Programme’ presents you with a drop-down menu. Choose Chemistry PhD and select October 2023 for study option (this can be updated at a later date if required)

(b) in ‘Research Project Information’

You will be provided with a free text box for details of your research project. Enter Title and Reference number of the project for which you are applying and also enter the supervisor’s name. This information will greatly assist us in tracking your application.

Please note that once you have submitted your application, it will not be considered until you have uploaded your CV and transcripts.

Chemistry (6) Computer Science (8)

Funding Notes

Funding has been secured for 42 months. This includes a stipend (of minimum £17,668 per year, untaxed) and all tuition fees at “home” rates. Stipend increase every year, typically with inflation, based on UKRI rates.

References

Examples of papers on photocatalytic decarboxylative radical reactions from the Lee Group:
1) D. T. Mooney, P. R. Moore and A.-L. Lee Org. Lett., 2022, 24, 8008.
2) E. B. McLean, D. T. Mooney, D. J. Burns, A.-L. Lee Org. Lett. 2022, 24, 686.
3) D. R. Sutherland, M. Veguillas, C. L. Oates, A.-L. Lee, Org. Lett., 2018, 20, 6863.
Examples of flow chemistry papers from Lee/Vilela Groups:
1) C. G. Thomson, C. Banks, M. Allen, G. Barker, C. R. Coxon, A.-L. Lee and F. Vilela J. Org. Chem. 2021, 86, 14079.
2) C. G. Thomson, C. M. S. Jones, G. M. Rosair, D. Ellis, J. Marques-Hueso, A.-L. Lee and F. Vilela, J. Flow. Chem., 2020, 10, 327.
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