NDLI: Polarization at metal–biomolecular interfaces in solution

Please wait, while we are loading the content...

Contrasts between organic participation in apatite biomineralization in brachiopod shell and vertebrate bone identified by nuclear magnetic resonance spectroscopy

Effect of different modes of viral spread on the dynamics of multiply infected cells in human immunodeficiency virus infection

Limited interactions in flocks: relating model simulations to empirical data

Year: 2011, Volume: 8, Issue: 54

Year: 2010, Volume: 7

Year: 2009, Volume: 6

Year: 2008, Volume: 5

Year: 2007, Volume: 4

Year: 2006, Volume: 3

Year: 2005, Volume: 2

Year: 2004, Volume: 1

Polarization at metal–biomolecular interfaces in solution

Content Provider	PubMed Central
Author	Heinz, Hendrik Jha, Kshitij C. Luettmer-strathmann, Jutta Farmer, Barry L. Naik, Rajesh R.
Copyright Year	2010
Abstract	Metal surfaces in contact with water, surfactants and biopolymers experience attractive polarization owing to induced charges. This fundamental physical interaction complements stronger epitaxial and covalent surface interactions and remains difficult to measure experimentally. We present a first step to quantify polarization on even gold (Au) surfaces in contact with water and with aqueous solutions of peptides of different charge state (A3 and Flg-Na3) by molecular dynamics simulation in all-atomic resolution and a posteriori computation of the image potential. Attractive polarization scales with the magnitude of atomic charges and with the length of multi-poles in the aqueous phase such as the distance between cationic and anionic groups. The polarization energy per surface area is similar on aqueous Au {1 1 1} and Au {1 0 0} interfaces of approximately −50 mJ m−2 and decreases to −70 mJ m−2 in the presence of charged peptides. In molecular terms, the polarization energy corresponds to −2.3 and −0.1 kJ mol−1 for water in the first and second molecular layers on the metal surface, and to between −40 and 0 kJ mol−1 for individual amino acids in the peptides depending on the charge state, multi-pole length and proximity to the surface. The net contribution of polarization to peptide adsorption on the metal surface is determined by the balance between polarization by the peptide and loss of polarization by replaced surface-bound water. On metal surfaces with significant epitaxial attraction of peptides such as Au {1 1 1}, polarization contributes only 10–20% to total adsorption related to similar polarity of water and of amino acids. On metal surfaces with weak epitaxial attraction of peptides such as Au {1 0 0}, polarization is a major contribution to adsorption, especially for charged peptides (−80 kJ mol−1 for peptide Flg-Na3). A remaining water interlayer between the metal surface and the peptide then reduces losses in polarization energy by replaced surface-bound water. Computed polarization energies are sensitive to the precise location of the image plane (within tenths of Angstroms near the jellium edge). The computational method can be extended to complex nanometre and micrometer-size surface topologies.
Related Links	http://dx.doi.org/10.1098/rsif.2010.0318
Ending Page	232
Page Count	13
Starting Page	220
File Format	PDF
ISSN	17425689
e-ISSN	17425662
Journal	Journal of the Royal Society Interface
Issue Number	55
Volume Number	8
Language	English
Publisher	The Royal Society
Publisher Date	2011-02-06
Access Restriction	Open
Rights Holder	The Royal Society
Subject Keyword	Biotechnology Biophysics Biochemistry Bioengineering Biomaterials Biomedical Engineering Research in Higher Education
Content Type	Text
Resource Type	Article
Subject	Biochemistry Biomaterials Biophysics Bioengineering Biomedical Engineering Biotechnology

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Polarization at metal–biomolecular interfaces in solution

Temperature-responsive intelligent interfaces for biomolecular separation and cell sheet engineering

Introduction. Biomolecular simulation

Biomolecular simulation and modelling: status, progress and prospects

Mechanically driven accumulation of microscale material at coupled solid–fluid interfaces in biological channels

Broadband and polarization reflectors in the lookdown, Selene vomer

A beetle-inspired solution for underwater adhesion

Design of biomimetic fibrillar interfaces: 1. Making contact.

Human foetal osteoblastic cell response to polymer-demixed nanotopographic interfaces

Polarization at metal–biomolecular interfaces in solution

Similar Documents

Polarization at metal–biomolecular interfaces in solution

Temperature-responsive intelligent interfaces for biomolecular separation and cell sheet engineering

Introduction. Biomolecular simulation

Biomolecular simulation and modelling: status, progress and prospects

Mechanically driven accumulation of microscale material at coupled solid–fluid interfaces in biological channels

Broadband and polarization reflectors in the lookdown, Selene vomer

A beetle-inspired solution for underwater adhesion

Design of biomimetic fibrillar interfaces: 1. Making contact.

Human foetal osteoblastic cell response to polymer-demixed nanotopographic interfaces

Polarization at metal–biomolecular interfaces in solution