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

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Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds: A Step toward Nacre Mimicry. / Nielsen, Anne Rath; Jelavic, Stanislav; Murray, Daniel; Rad, Behzad ; Andersson, Martin Peter; Ceccato, Marcel; Mitchell, Andrew C.; Stipp, Susan Louise Svane; Zuckermann, Ronald N.; Sand, Karina Krarup.

In: Crystal Growth and Design, 24.04.2020.

Research output: Contribution to journalJournal articleResearchpeer-review

Harvard

Nielsen, AR, Jelavic, S, Murray, D, Rad, B, Andersson, MP, Ceccato, M, Mitchell, AC, Stipp, SLS, Zuckermann, RN & Sand, KK 2020, 'Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds: A Step toward Nacre Mimicry', Crystal Growth and Design. https://doi.org/10.1021/acs.cgd.0c00029

APA

Nielsen, A. R., Jelavic, S., Murray, D., Rad, B., Andersson, M. P., Ceccato, M., ... Sand, K. K. (2020). Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds: A Step toward Nacre Mimicry. Crystal Growth and Design. https://doi.org/10.1021/acs.cgd.0c00029

Vancouver

Nielsen AR, Jelavic S, Murray D, Rad B, Andersson MP, Ceccato M et al. Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds: A Step toward Nacre Mimicry. Crystal Growth and Design. 2020 Apr 24. https://doi.org/10.1021/acs.cgd.0c00029

Author

Nielsen, Anne Rath ; Jelavic, Stanislav ; Murray, Daniel ; Rad, Behzad ; Andersson, Martin Peter ; Ceccato, Marcel ; Mitchell, Andrew C. ; Stipp, Susan Louise Svane ; Zuckermann, Ronald N. ; Sand, Karina Krarup. / Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds: A Step toward Nacre Mimicry. In: Crystal Growth and Design. 2020.

Bibtex

@article{cba807174622434fa5e67cf3a0315c78,
title = "Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds: A Step toward Nacre Mimicry",
abstract = "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 of the heterogeneous CaCO3 nucleation process is a necessary first step. We determined the thermodynamic and kinetic parameters for calcite nucleation on self-assembled monolayers (SAMs) of nanosheet-forming peptoid polymers and simpler, alkanethiol analogues. We used nucleation rate studies to determine the net interfacial free energy (γnet) for the peptoid–calcite interface and for SAMs terminated with carboxyl headgroups, amine headgroups, or a mix of the two. We compared the results with γnet determined from dynamic force spectroscopy (DFS) and from density functional theory (DFT), using COSMO-RS simulations. Calcite nucleation has a lower thermodynamic barrier on the peptoid surface than on carboxyl and amine SAMs. From the relationship between nucleation rate (J0) and saturation state, we found that under low-saturation conditions, i.e. <3.3 (pH 9.0), nucleation on the peptoid substrate was faster than that on all of the model surfaces, indicating a thermodynamic drive toward heterogeneous nucleation. When they are taken together, our results indicate that nanosheet-forming peptoid monolayers can serve as an organic template for CaCO3 polymorph growth.",
author = "Nielsen, {Anne Rath} and Stanislav Jelavic and Daniel Murray and Behzad Rad and Andersson, {Martin Peter} and Marcel Ceccato and Mitchell, {Andrew C.} and Stipp, {Susan Louise Svane} and Zuckermann, {Ronald N.} and Sand, {Karina Krarup}",
year = "2020",
month = "4",
day = "24",
doi = "https://doi.org/10.1021/acs.cgd.0c00029",
language = "English",
journal = "Crystal Growth & Design",
issn = "1528-7483",
publisher = "American Chemical Society",

}

RIS

TY - JOUR

T1 - Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds: A Step toward Nacre Mimicry

AU - Nielsen, Anne Rath

AU - Jelavic, Stanislav

AU - Murray, Daniel

AU - Rad, Behzad

AU - Andersson, Martin Peter

AU - Ceccato, Marcel

AU - Mitchell, Andrew C.

AU - Stipp, Susan Louise Svane

AU - Zuckermann, Ronald N.

AU - Sand, Karina Krarup

PY - 2020/4/24

Y1 - 2020/4/24

N2 - 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 of the heterogeneous CaCO3 nucleation process is a necessary first step. We determined the thermodynamic and kinetic parameters for calcite nucleation on self-assembled monolayers (SAMs) of nanosheet-forming peptoid polymers and simpler, alkanethiol analogues. We used nucleation rate studies to determine the net interfacial free energy (γnet) for the peptoid–calcite interface and for SAMs terminated with carboxyl headgroups, amine headgroups, or a mix of the two. We compared the results with γnet determined from dynamic force spectroscopy (DFS) and from density functional theory (DFT), using COSMO-RS simulations. Calcite nucleation has a lower thermodynamic barrier on the peptoid surface than on carboxyl and amine SAMs. From the relationship between nucleation rate (J0) and saturation state, we found that under low-saturation conditions, i.e. <3.3 (pH 9.0), nucleation on the peptoid substrate was faster than that on all of the model surfaces, indicating a thermodynamic drive toward heterogeneous nucleation. When they are taken together, our results indicate that nanosheet-forming peptoid monolayers can serve as an organic template for CaCO3 polymorph growth.

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

UR - https://pubs.acs.org/doi/10.1021/acs.cgd.0c00029

U2 - https://doi.org/10.1021/acs.cgd.0c00029

DO - https://doi.org/10.1021/acs.cgd.0c00029

M3 - Journal article

JO - Crystal Growth & Design

JF - Crystal Growth & Design

SN - 1528-7483

ER -

ID: 241644650