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The Adhesion Mechanism of Marine Mussel Foot Protein: Adsorption of L-Dopa on α- and β-Cristobalite Silica Using Density Functional Theory
Joint Authors
Mian, Shabeer Ahmad
Khan, Younas
Source
Issue
Vol. 2017, Issue 2017 (31 Dec. 2017), pp.1-6, 6 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2017-01-15
Country of Publication
Egypt
No. of Pages
6
Main Subjects
Abstract EN
Marine mussels strongly adhere to various surfaces and endure their attachment under a variety of conditions.
In order to understand the basic mechanism involved, we study the adsorption of L-dopa molecule on hydrophilic geminal and terminal isolated silanols of silica (001) surface.
High content of modified amino acid L-dopa is found in the glue-like material secreted by the mussels through which it sticks to various surfaces under water.
To understand the adsorption behavior, we have made use of periodic Density Functional Theory (DFT) study.
The L-dopa molecule adheres to silica surfaces terminated with geminal and terminal silanols via its catechol part.
In both cases, the adhesion is achieved through the formation of 4 H-bonds.
A binding energy of 29.48 and 31.67 kcal/mol has been estimated, after the inclusion of dispersion energy, for geminal and terminal silanols of silica, respectively.
These results suggest a relatively stronger adhesion of dopa molecule for surface with terminal isolated silanols.
American Psychological Association (APA)
Mian, Shabeer Ahmad& Khan, Younas. 2017. The Adhesion Mechanism of Marine Mussel Foot Protein: Adsorption of L-Dopa on α- and β-Cristobalite Silica Using Density Functional Theory. Journal of Chemistry،Vol. 2017, no. 2017, pp.1-6.
https://search.emarefa.net/detail/BIM-1172516
Modern Language Association (MLA)
Mian, Shabeer Ahmad& Khan, Younas. The Adhesion Mechanism of Marine Mussel Foot Protein: Adsorption of L-Dopa on α- and β-Cristobalite Silica Using Density Functional Theory. Journal of Chemistry No. 2017 (2017), pp.1-6.
https://search.emarefa.net/detail/BIM-1172516
American Medical Association (AMA)
Mian, Shabeer Ahmad& Khan, Younas. The Adhesion Mechanism of Marine Mussel Foot Protein: Adsorption of L-Dopa on α- and β-Cristobalite Silica Using Density Functional Theory. Journal of Chemistry. 2017. Vol. 2017, no. 2017, pp.1-6.
https://search.emarefa.net/detail/BIM-1172516
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1172516