DOI: 10.1002/jbm.a.10360. Theoretical analysis of adsorption thermodynamics for charged peptide residues on SAM surfaces of varying functionality

Theoretical analysis of adsorption thermodynamics for charged peptide residues on SAM surfaces of varying functionality

10.1002/jbm.a.10360

Crossref journal-article

Wiley

Journal of Biomedical Materials Research Part A (311)

Abstract

AbstractCellular response to an implant is largely controlled by protein adsorption because cells directly interact with the adsorbed protein rather than the implant surface. Protein adsorption will occur when the change in Gibbs free energy (ΔG) of the system decreases during the adsorption process. Electrostatic interactions between charged peptide residues presented by a protein's surface and surface functional groups greatly contribute to the ΔG of protein adsorption. In this study, semiempirical molecular orbital calculations were used to theoretically determine the adsorption enthalpy between charged peptide residues [aspartic acid (−1), glutamic acid (−1), and arginine (+1)] and functionalized SAM surfaces [methyl, hydroxyl, amine (+1), and carboxylic acid (−1)]. Additional enthalpic and entropic contributions attributed to water restructuring effects were then approximated based on literature values for functional group solvation and considered along with the calculated enthalpy values to estimate the change in ΔG for each residue/surface system as a function of surface separation distance. The results predict long‐range attraction and repulsion to the opposite and same‐charge residue/surface systems, respectively, followed by strong short‐range repulsion caused by functional group dehydration. Short‐range repulsion alone was predicted for the charged residues on the methyl and hydroxyl surfaces. These results provide a theoretical quantitative description of fundamental mechanisms governing protein adsorption behavior and provide a basis for the development of a knowledge‐based surface design approach to control biological response. © 2002 Wiley Periodicals, Inc. J Biomed Mater Res 64A: 120–130, 2003

Bibliography

Basalyga, D. M., & Latour, R. A. (2002). Theoretical analysis of adsorption thermodynamics for charged peptide residues on SAM surfaces of varying functionality. Journal of Biomedical Materials Research Part A, 64A(1), 120â130. Portico.

Authors 2

Dina M. Basalyga (first)
Robert A. Latour (additional)

References 42 Referenced 26

10.1080/09205063.1991.9756659
{'key': 'e_1_2_5_3_2', 'first-page': '1', 'volume-title': 'Proteins at interfaces. II. Fundamentals and applications', 'author': 'Brash JL', 'year': '1995'} / Proteins at interfaces. II. Fundamentals and applications by Brash JL (1995)
{'key': 'e_1_2_5_4_2', 'series-title': 'Encyclopedic handbook of biomaterials and bioengineering', 'first-page': '305', 'author': 'Lu RD', 'year': '1995'} / Encyclopedic handbook of biomaterials and bioengineering by Lu RD (1995)
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{'key': 'e_1_2_5_19_2', 'first-page': '201', 'article-title': 'Adsorption enthalpy for peptidyl residues adsorbed onto modeled self‐assembled monolayer surfaces', 'author': 'Latour RA', 'year': '1999', 'journal-title': 'Trans Soc Biomater'} / Trans Soc Biomater / Adsorption enthalpy for peptidyl residues adsorbed onto modeled self‐assembled monolayer surfaces by Latour RA (1999)
{'key': 'e_1_2_5_20_2', 'first-page': '8', 'volume-title': 'Introduction to protein structure', 'author': 'Branden C', 'year': '1991'} / Introduction to protein structure by Branden C (1991)
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{'key': 'e_1_2_5_23_2', 'first-page': '32', 'volume-title': 'Intermolecular and surface forces', 'author': 'Israelachvili JN', 'year': '1992'} / Intermolecular and surface forces by Israelachvili JN (1992)
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10.1016/B978-008042692-1/50128-X

Dates

Type	When
Created	22 years, 8 months ago (Dec. 16, 2002, 8:53 a.m.)
Deposited	1 year, 10 months ago (Oct. 16, 2023, 9:49 a.m.)
Indexed	1 year, 10 months ago (Oct. 16, 2023, 10:10 a.m.)
Issued	22 years, 9 months ago (Nov. 26, 2002)
Published	22 years, 9 months ago (Nov. 26, 2002)
Published Online	22 years, 9 months ago (Nov. 26, 2002)
Published Print	22 years, 8 months ago (Jan. 1, 2003)

Funders 0

None

BibTeX

@article{Basalyga_2002, title={Theoretical analysis of adsorption thermodynamics for charged peptide residues on SAM surfaces of varying functionality}, volume={64A}, ISSN={1552-4965}, url={http://dx.doi.org/10.1002/jbm.a.10360}, DOI={10.1002/jbm.a.10360}, number={1}, journal={Journal of Biomedical Materials Research Part A}, publisher={Wiley}, author={Basalyga, Dina M. and Latour, Robert A.}, year={2002}, month=nov, pages={120–130} }

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