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Computational Evaluation of the Sulfonyl Radical as a Universal Leaving Group for RAFT Polymerisation

Abstract (Expand)

The present study investigates the performance of the sulfonyl radical, i.e. •SO2Ph, as a universal leaving group in reversible addition–fragmentation chain-transfer (RAFT) polymerisation. The sulfonyl … radical is widely used as a radical initiator and has already been proved successful as a leaving group in an atom-transfer radical polymerisation. Our results, obtained using high-level ab initio computational methodology under relevant experimental conditions, indicate superior performance of the sulfonyl compared with a reference cyanoisopropyl group in controlling RAFT of a wide range of monomers. Importantly, the presence of sulfonyl chain ends in the polymers so formed opens attractive possibilities for further functionalisation. Potential synthetic routes to the R-sulfonyl RAFT agents are discussed.

Authors: Ganna Gryn'ova, Tamaz Guliashvili, Krzysztof Matyjaszewski, Michelle L. Coote

Date Published: 2013

Publication Type: Journal

Conformational diversity and ligand tunnels of mammalian cytochrome P450s

Abstract

Not specified

Authors: Xiaofeng Yu, Vlad Cojocaru, Rebecca C. Wade

Date Published: 2013

Publication Type: Journal

Treating Conformational Flexibility in Protein-Protein Docking

Abstract

Not specified

Authors: Mykhaylo Berynskyy, Rebecca C. Wade

Date Published: 2013

Publication Type: Journal

An Algorithmic Approach to Peptidomimetics

Abstract

Not specified

Author: Priyanka Banerjee

Date Published: 2013

Publication Type: Master's Thesis

Uso di inhibitori della Pteridina Reduttasi per la prevenzione e/o il trattamento di infezioni parassitarie

Abstract

Not specified

Authors: M. Paola Costi, Rosaria Luciani, Erika Nerini, Guerrieri D., Stefania Ferrari, Alberto Venturelli, Sandra Lazzari, Rebecca C. Wade, Stefan Henrich, D. Motiejunas

Date Published: 2013

Publication Type: Misc

Uncertainty quantification in complex simulation models using ensemble copula coupling

Abstract

Not specified

Authors: Roman Schefzik, Thordis L. Thorarinsdottir, Tilmann Gneiting

Date Published: 2013

Publication Type: Journal

Probabilistic wind vector forecasting using ensembles and Bayesian model averaging

Abstract

Not specified

Authors: J M Sloughter, Tilmann Gneiting, A E Raftery

Date Published: 2013

Publication Type: Journal

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