A supramolecular cavitand for selective chromatographic separation of peptides using LC-MS/MS: a combined in silico and experimental approach

The effective separation of a mixed peptide sample has been achieved via a computational strategy towards the bespoke design of a new silica bound supramolecular host capable of selectively interacting with different peptides via their morphology and amino acid functionalities. The experimental and...

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Published inNew journal of chemistry Vol. 45; no. 1; pp. 141 - 146
Main Authors Mekapothula, Subbareddy, Wonanke, A. D. Dinga, Addicoat, Matthew A., Wallis, John D., Boocock, David J., Cave, Gareth W. V.
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 07.01.2021
Subjects
Chromatography
Column chromatography
High performance liquid chromatography
Mass spectrometry
Morphology
Peptides
Selectivity
Separation
Silicon dioxide
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Abstract The effective separation of a mixed peptide sample has been achieved via a computational strategy towards the bespoke design of a new silica bound supramolecular host capable of selectively interacting with different peptides via their morphology and amino acid functionalities. The experimental and in silico chromatographic behaviour of a sample of mixed peptides on a new co-pillar[4+1]arene bound silica HPLC stationary phase column was compared with RP-C18 and unfunctionalized silica (normal phase) column via liquid chromatography coupled with mass spectrometry (LC-MS/MS) and demonstrates superior separation selectivity and sensitivity for the mixed peptide solution being investigated.
AbstractList The effective separation of a mixed peptide sample has been achieved via a computational strategy towards the bespoke design of a new silica bound supramolecular host capable of selectively interacting with different peptides via their morphology and amino acid functionalities. The experimental and in silico chromatographic behaviour of a sample of mixed peptides on a new co-pillar[4+1]arene bound silica HPLC stationary phase column was compared with RP-C18 and unfunctionalized silica (normal phase) column via liquid chromatography coupled with mass spectrometry (LC-MS/MS) and demonstrates superior separation selectivity and sensitivity for the mixed peptide solution being investigated.
The effective separation of a mixed peptide sample has been achieved via a computational strategy towards the bespoke design of a new silica bound supramolecular host capable of selectively interacting with different peptides via their morphology and amino acid functionalities. The experimental and in silico chromatographic behaviour of a sample of mixed peptides on a new co-pillar[4+1]arene bound silica HPLC stationary phase column was compared with RP-C18 and unfunctionalized silica (normal phase) column via liquid chromatography coupled with mass spectrometry (LC-MS/MS) and demonstrates superior separation selectivity and sensitivity for the mixed peptide solution being investigated.
Author Cave, Gareth W. V.
Wonanke, A. D. Dinga
Addicoat, Matthew A.
Boocock, David J.
Mekapothula, Subbareddy
Wallis, John D.
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Snippet The effective separation of a mixed peptide sample has been achieved via a computational strategy towards the bespoke design of a new silica bound...
The effective separation of a mixed peptide sample has been achieved via a computational strategy towards the bespoke design of a new silica bound...
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SubjectTerms Chromatography
Column chromatography
High performance liquid chromatography
Mass spectrometry
Morphology
Peptides
Selectivity
Separation
Silicon dioxide
Title A supramolecular cavitand for selective chromatographic separation of peptides using LC-MS/MS: a combined in silico and experimental approach
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