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Computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis
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 betw...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10619640/ https://www.ncbi.nlm.nih.gov/pubmed/37920332 http://dx.doi.org/10.1039/d3sc01383a |
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author | Yan, Chunhui Fyfe, Calum Minty, Laura Barrington, Henry Jamieson, Craig Reid, Marc |
author_facet | Yan, Chunhui Fyfe, Calum Minty, Laura Barrington, Henry Jamieson, Craig Reid, Marc |
author_sort | Yan, Chunhui |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-10619640 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-106196402023-11-02 Computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis Yan, Chunhui Fyfe, Calum Minty, Laura Barrington, Henry Jamieson, Craig Reid, Marc Chem Sci Chemistry 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. The Royal Society of Chemistry 2023-10-10 /pmc/articles/PMC10619640/ /pubmed/37920332 http://dx.doi.org/10.1039/d3sc01383a Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/ |
spellingShingle | Chemistry Yan, Chunhui Fyfe, Calum Minty, Laura Barrington, Henry Jamieson, Craig Reid, Marc Computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis |
title | Computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis |
title_full | Computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis |
title_fullStr | Computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis |
title_full_unstemmed | Computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis |
title_short | Computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis |
title_sort | computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10619640/ https://www.ncbi.nlm.nih.gov/pubmed/37920332 http://dx.doi.org/10.1039/d3sc01383a |
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