Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces

Levine, Zachary A.; Rapp, Michael V.; Wei, Wei; Mullen, Ryan Gotchy; Wu, Chun; Zerze, Gül H.; Mittal, Jeetain; Waite, J. Herbert; Israelachvili, Jacob N.; Shea, Joan-Emma

doi:10.1073/pnas.1603065113

Title: Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces

Journal Article · Mon Mar 28 00:00:00 EDT 2016 · Proceedings of the National Academy of Sciences of the United States of America

DOI:https://doi.org/10.1073/pnas.1603065113· OSTI ID:1469313

Levine, Zachary A. ^[1]; Rapp, Michael V. ^[2]; Wei, Wei ^[3]; Mullen, Ryan Gotchy ^[2]; Wu, Chun ^[4]; Zerze, Gül H. ^[5]; Mittal, Jeetain ^[5]; Waite, J. Herbert ^[6]; Israelachvili, Jacob N. ^[7]; Shea, Joan-Emma ^[1]

Univ. of California, Santa Barbara, CA (United States). Dept. of Physics. Dept. of Chemistry and Biochemistry
Univ. of California, Santa Barbara, CA (United States). Dept. of Chemical Engineering
Univ. of California, Santa Barbara, CA (United States). Materials Research Lab.
Rowan Univ., Glassboro, NJ (United States). Dept. of Chemistry and Biochemistry
Lehigh Univ., Bethlehem, PA (United States). Dept. of Chemical and Biomolecular Engineering
Univ. of California, Santa Barbara, CA (United States). Materials Research Lab. Dept. of Molecular, Cell and Developmental Biology
Univ. of California, Santa Barbara, CA (United States). Dept. of Chemical Engineering. Materials Research Lab.

Translating sticky biological molecules—such as mussel foot proteins (MFPs)—into synthetic, cost-effective underwater adhesives with adjustable nano- and macroscale characteristics requires an intimate understanding of the glue’s molecular interactions. In this paper, to help facilitate the next generation of aqueous adhesives, we performed a combination of surface forces apparatus (SFA) measurements and replica-exchange molecular dynamics (REMD) simulations on a synthetic, easy to prepare, Dopa-containing peptide (MFP-3s peptide), which adheres to organic surfaces just as effectively as its wild-type protein analog. Experiments and simulations both show significant differences in peptide adsorption on CH₃-terminated (hydrophobic) and OH-terminated (hydrophilic) self-assembled monolayers (SAMs), where adsorption is strongest on hydrophobic SAMs because of orientationally specific interactions with Dopa. Finally, additional umbrella-sampling simulations yield free-energy profiles that quantitatively agree with SFA measurements and are used to extract the adhesive properties of individual amino acids within the context of MFP-3s peptide adhesion, revealing a delicate balance between van der Waals, hydrophobic, and electrostatic forces.

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Research Organization:: Lehigh Univ., Bethlehem, PA (United States); Univ. of California, Santa Barbara, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); National Inst. of Health (NIH) (United States)

Grant/Contract Number:: SC0013979; MCB-1158577; DMR 1121053; CNS-0960316; ACI-1053575; R01 DE018468

OSTI ID:: 1469313

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Vol. 113, Issue 16; ISSN 0027-8424

Publisher:: National Academy of Sciences, Washington, DC (United States)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 69 works

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Title: Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces

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