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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 (? net) 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 ? net 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 (J 0) 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.

SUBMITTER: Nielsen AR

PROVIDER: S-EPMC7660692 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature

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

Nielsen Anne R AR Jelavić Stanislav S Murray Daniel D Rad Behzad B Andersson Martin P MP Ceccato Marcel M Mitchell Andrew C AC Stipp Susan L S SLS Zuckermann Ronald N RN Sand Karina K KK

Crystal growth & design 20200424 6

The production of novel composite materials, assembled using biomimetic polymers known as peptoids (N-substituted glycines) to nucleate CaCO<sub>3</sub>, can open new pathways for advanced material design. However, a better understanding of the heterogeneous CaCO<sub>3</sub> 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 a ...[more]

PMID: 33192182

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Project description:Herein, a novel imprinted solid-phase extraction cartridge was fabricated to investigate the kinetic, thermodynamic, and isothermal parameters for the selective adsorption of Bisphenol A (BPA). The imprinted polymeric cartridges (BMC) for the BPA adsorption were fabricated in the presence of a template and functional monomer using the in situ polymerization technique. To prove the efficiency and selectivity of BMC, the nonimprinted polymeric cartridges (BNC) and the empty polymeric cartridges (EC) were also fabricated with and without functional monomer using the same manner for the preparation of BMC. The characterization of cartridges was performed by elemental analysis, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET) surface area measurements, and swelling tests. BPA removal studies were performed by analyzing some parameters such as temperature, BPA concentration, flow rate, salt type, and concentration. The highest capacity was determined as 103.2 mg BPA/g polymer for a 0.75 mL/min flow rate of 0.75 M (NH4)2SO4 containing 200 mg/L BPA solution at 50 °C. NaOH (1.0 M) was used as a desorption agent. The reusability performance was examined by performing 10 consecutive cycles. The solid-phase extraction (SPE) performance was also checked to determine the enrichment and extraction recovery factors for tap water and synthetic wastewater samples. Temkin, Langmuir, Freundlich, and Dubinin-Radushkevich isotherm models were applied to BPA adsorption data examining the adsorption mechanism, surface properties, and adsorption degree. The most suitable isotherm model for BPA adsorption was determined as the Langmuir isotherm model. The thermodynamic parameters (ΔG°, ΔH°, and ΔS°) were investigated to reveal the thermodynamics of adsorption. Adsorption thermodynamic parameters (ΔH°, ΔS°, and ΔG°) were calculated using the thermodynamic equilibrium constant (thermodynamic equilibrium constant, K°) values that change with temperature. It was determined that BPA adsorption was spontaneous (ΔG° < 0) and endothermic (ΔH° > 0) and entropy increased (ΔS° > 0) at the temperatures studied in the BPA adsorption process. The rate control step in the adsorption process was examined by applying pseudo-first-order and pseudo-second-order kinetic models to the adsorption data for the investigations of BPA adsorption kinetics, and the pseudo-second-order kinetic model was found to be more suitable for describing BPA adsorption kinetics. In examining the selectivity of cartridges, structural analogues of hydroquinone, phenol, β-estradiol, and 8-hydroxyquinoline were tested.

Dataset Information

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

Publications

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

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