Computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis
Yan, Chunhui and Fyfe, Calum and Minty, Laura and Barrington, Henry and Jamieson, Craig and Reid, Marc (2023) Computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis. Chemical Science, 14 (42). pp. 11872-11880. ISSN 2041-6539 (https://doi.org/10.1039/d3sc01383a)
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Abstract
We report a strategy for the camera-enabled non-contact colourimetric reaction monitoring and optimisation of amide bond formation, mediated by coupling reagents. For amide bond formation in solution phase, investigation of reactions mediated by HATU, PyAOP, and DIC/Oxyma evidenced correlations between colour parameters extracted from video data and conversion to amide product measured by off-line HPLC analysis of concentration. These correlations, supported by mutual information analysis, were further investigated using video recordings of solid phase peptide synthesis (SPPS), co-analysed by off-line HPLC to track remaining unreacted substrate in solution. An optimisation method of coupling time in SPPS was derived from ΔE (a measurement of colour contrast), giving comparable isolated peptide yield and purity at 65–95% reduced overall reaction time. The same colour data enabled data-rich monitoring of reaction rate attenuation, consisted with computationally-derived measures of amino acid steric bulk. These findings provide a foundation for exploring the use of camera technology and computer vision towards automated and online mechanistic profiling of SPPS.
ORCID iDs
Yan, Chunhui, Fyfe, Calum, Minty, Laura, Barrington, Henry, Jamieson, Craig ORCID: https://orcid.org/0000-0002-6567-8272 and Reid, Marc ORCID: https://orcid.org/0000-0003-4394-3132;-
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Item type: Article ID code: 86975 Dates: DateEvent21 November 2023Published10 October 2023Published Online4 October 2023Accepted15 March 2023SubmittedSubjects: Science > Chemistry Department: Faculty of Science > Pure and Applied Chemistry Depositing user: Pure Administrator Date deposited: 17 Oct 2023 11:39 Last modified: 27 Sep 2024 01:28 URI: https://strathprints.strath.ac.uk/id/eprint/86975