Lysozyme adsorption at a silica surface using simulation and experiment: effects of pH on protein layer structure

Physical Chemistry Chemical Physics : PCCP
Karina Kubiak-OssowskaPaul A Mulheran

Abstract

Hen Egg White Lysozyme (HEWL) is a widely used exemplar to study protein adsorption on surfaces and interfaces. Here we use fully atomistic Molecular Dynamics (MD) simulations, Multi-Parametric Surface Plasmon Resonance (MP-SPR), contact angle and zeta potential measurements to study HEWL adsorption at a silica surface. The simulations provide a detailed description of the adsorption mechanism and indicate that at pH7 the main adsorption driving force is electrostatics, supplemented by weaker hydrophobic forces. Moreover, they reveal the preferred orientation of the adsorbed protein and show that its structure is only slightly altered at the interface with the surface. This provides the basis for interpreting the experimental results, which indicate the surface adsorbs a close-packed monolayer at about pH10 where the surface has a large negative zeta potential and the HEWL is positively charged. At higher pH, the adsorption amount of the protein layer is greatly reduced due to the loss of charge on the protein. At lower pH, the smaller zeta potential of the surface leads to lower HEWL adsorption. These interpretations are complemented by the contact angle measurements that show how the hydrophobicity of the surface is greatest ...Continue Reading

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Citations

Sep 23, 2016·The Journal of Physical Chemistry. B·Karina Kubiak-OssowskaPaul A Mulheran
Mar 30, 2017·The Journal of Physical Chemistry. B·Karina Kubiak-OssowskaPaul A Mulheran
Feb 25, 2017·Physical Chemistry Chemical Physics : PCCP·B A RussellY Chen
Mar 11, 2018·Journal of Molecular Modeling·Marjan A Nejad, Herbert M Urbassek
Oct 28, 2019·Physical Chemistry Chemical Physics : PCCP·Shivam TiwariK Anki Reddy
Oct 28, 2018·International Journal of Molecular Sciences·Evangelos LiamasPaul A Mulheran
Feb 3, 2021·International Journal of Molecular Sciences·Paulina KomorekBarbara Jachimska
Jan 21, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Chikashi OtaKazufumi Takano
Dec 1, 2020·ACS Omega·Jan M Antosiewicz, Maciej Długosz
May 23, 2021·International Journal of Biological Macromolecules·Bo Kyeong YoonJoshua A Jackman
Aug 6, 2019·The Journal of Physical Chemistry. B·Mahreen AroojRicardo L Mancera
Sep 15, 2018·The Journal of Physical Chemistry. C, Nanomaterials and Interfaces·Silvia HiltJohn C Voss
Aug 23, 2021·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Binbin LiRunguang Sun
Nov 20, 2018·Langmuir : the ACS Journal of Surfaces and Colloids·F M BoubetaM Tagliazucchi
Nov 26, 2021·Physical Chemistry Chemical Physics : PCCP·Daniel L Z CaetanoSidney J de Carvalho

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