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 logoORCID: https://orcid.org/0000-0002-6567-8272 and Reid, Marc ORCID logoORCID: https://orcid.org/0000-0003-4394-3132;
  • Item type:Article
    ID code:86975
    Dates:
    Date
    Event
    21 November 2023
    Published
    10 October 2023
    Published Online
    4 October 2023
    Accepted
    15 March 2023
    Submitted
    Subjects:Science > Chemistry
    Department:Faculty of Science > Pure and Applied Chemistry
    Depositing user: Pure Administrator
    Date deposited:17 Oct 2023 11:39
    Last modified:11 Nov 2024 14:07
    URI:https://strathprints.strath.ac.uk/id/eprint/86975
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