Polarization at metal-biomolecular interfaces in solution.

Journal of the Royal Society, Interface
Hendrik HeinzRajesh R Naik

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...Continue Reading

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Citations

Apr 12, 2012·Journal of the Royal Society, Interface·Senem DonatanMustafa Urgen
Jan 30, 2016·Quarterly Reviews of Biophysics·Musa OzboyaciRebecca C Wade
Feb 18, 2016·The Journal of Physical Chemistry Letters·Tao WeiAiichiro Nakano
Feb 9, 2016·Interface Focus·Lewis MartinSerdar Kuyucak
Nov 15, 2013·Langmuir : the ACS Journal of Surfaces and Colloids·Santosh Kumar Meena, Marialore Sulpizi
Jan 2, 2013·Langmuir : the ACS Journal of Surfaces and Colloids·Hendrik HeinzFateme S Emami
Apr 8, 2014·Journal of Chemical Theory and Computation·Marta RosaRosa Di Felice
Sep 1, 2015·Chemical Science·Louise B WrightTiffany R Walsh
Oct 20, 2012·Chemical Society Reviews·Chin-Yi ChiuYu Huang
Dec 23, 2014·Journal of Physics. Condensed Matter : an Institute of Physics Journal·R DarkinsD M Duffy
Jul 28, 2016·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Kshitij C JhaMesfin Tsige
Apr 8, 2020·Communications Materials·Sebastian ScherbErnst Meyer
May 28, 2014·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Hendrik Heinz
Jun 7, 2014·Nanoscale·Thomas J RousselJordi Faraudo
Dec 12, 2017·Physical Chemistry Chemical Physics : PCCP·Dongyue LiangQiang Cui
Sep 23, 2019·The Journal of Chemical Physics·Hodaka Mori, Nobuyuki Matubayasi
Dec 23, 2017·Physical Chemistry Chemical Physics : PCCP·Hui-Min GaoZhong-Yuan Lu
Mar 12, 2013·Journal of Chemical Theory and Computation·Louise B WrightTiffany R Walsh
May 14, 2013·Journal of Chemical Theory and Computation·Thomas J Roussel, Lourdes F Vega
Dec 24, 2018·Journal of Chemical Theory and Computation·Olga A PerfilievaAlexander A Lomzov
Mar 31, 2017·Langmuir : the ACS Journal of Surfaces and Colloids·Zak E HughesTiffany R Walsh
Nov 13, 2018·Journal of the American Chemical Society·Oliver LinnenbergKirill Yu Monakhov
Dec 13, 2018·Journal of Chemical Theory and Computation·Zdenek Futera, Jochen Blumberger

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