Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds: A Step toward Nacre Mimicry

• DOI: 10.1021/acs.cgd.0c00029
• Publication Date: 2020-04-24T11:13:04Z
• Authors: Anne R. Nielsen; Stanislav Jelavić; Daniel Murray; Behzad Rad; Martin P. Andersson; Marcel Ceccato; Andrew C. Mitchell; Susan L. S. Stipp; Ronald N. Zuckermann; Karina K. Sand
• Keywords: Peptoid

The production of novel composite materials, assembled using biomimetic polymers known as peptoids (N-substituted glycines) to nucleate CaCO3, can open new pathways for advanced material design. However, a better understanding the heterogeneous CaCO3 nucleation process is necessary first step. We determined thermodynamic and kinetic parameters calcite on self-assembled monolayers (SAMs) nanosheet-forming peptoid simpler, alkanethiol analogues. used rate studies determine net interfacial free energy (γnet) peptoid-calcite interface SAMs terminated with carboxyl headgroups, amine or mix two. compared results γnet from dynamic force spectroscopy (DFS) density functional theory (DFT), COSMO-RS simulations. Calcite has lower barrier surface than SAMs. From relationship between (J0) saturation state, we found that under low-saturation conditions, i.e. <3.3 (pH 9.0), substrate was faster all model surfaces, indicating drive toward nucleation. When they are taken together, our indicate serve an organic template polymorph growth.