Density Functional Theory Studies on the Synthesis of Poly(α-Amino Acid)s Via the Amine-Mediated Ring Opening Polymerizations of -Carboxyanhydrides and -Thiocarboxyanhydrides.

Front Chem

MOE Key Laboratory of Macromolecular Synthesis and Functionalization, Department of Polymer Science and Engineering, Zhejiang University, Hangzhou, China.

Published: March 2021

AI Article Synopsis

  • The review focuses on synthesizing poly (α-amino acid)s (PAAs) using ring opening polymerizations (ROP) of cyclic monomers known as NCAs and NTAs.
  • It summarizes the mechanisms involved in monomer preparation and ROP, highlighting insights from density functional theory calculations alongside historical experimental observations.
  • The discussion details the normal amine mechanism and the impact of different nucleophilic groups on the selectivity of the initiators used in the process.

Article Abstract

To synthesize well-defined poly (α-amino acid)s (PAAs), ring opening polymerizations (ROP) of cyclic monomers of α-amino acid -carboxyanhydrides (NCAs) and -thiocarboxyanhydrides (NTAs) are most widely used. In this mini-review, we summarize the mechanism details of the monomer preparation and ROP. The present study used density functional theory calculations to reveal the mechanisms together with experimental phenomena in the past decades. Detailed discussion includes normal amine mechanism and the selectivity of the initiators bearing various nucleophilic groups.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8039441PMC
http://dx.doi.org/10.3389/fchem.2021.645949DOI Listing

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