Molecular simulation study of water interactions with oligo (ethylene glycol)-terminated alkanethiol self-assembled monolayers

Langmuir : the ACS Journal of Surfaces and Colloids
Jie ZhengShaoyi Jiang

Abstract

Molecular simulations were performed to study a system consisting of protein (e.g., lysozyme) and self-assembled monolayers (SAMs) terminating with different chemical groups in the presence of explicit water molecules and ions. Mixed SAMs of oligo (ethylene glycol) [S(CH2)4(OCH2CH2)4OH, (OEG)] and hydroxyl-terminated SAMs [S(CH2)4OH] with a mole fraction of OEG at chiOEG = 0.2, 0.5, 0.8, and 1.0 were used in this study. In addition, methyl-terminated SAMs [S(CH2)11CH3] were also studied for comparison. The structural and dynamic behavior of hydration water, the flexibility and conformation state of SAMs, and the orientation and conformation of protein were examined. Simulation results were compared with those of experiments. It appears that there is a correlation between OEG surface resistance to protein adsorption and the surface density of OEG chains, which leads to a large number of tightly bound water molecules around OEG chains and the rapid mobility of hydrated SAM chains.

References

Dec 11, 1999·Journal of Biomaterials Science. Polymer Edition·D LeckbandA Halperin
Dec 26, 2001·Chemical Reviews·H TakanoM D Porter
Oct 9, 2002·Journal of Computational Chemistry·Grant D SmithDmitry Bedrov
Mar 20, 2004·Quarterly Reviews of Biophysics·Jan Norberg, Lennart Nilsson

❮ Previous
Next ❯

Citations

Sep 29, 2011·Journal of Biomolecular NMR·Tairan YuwenNikolai R Skrynnikov
Aug 19, 2011·Langmuir : the ACS Journal of Surfaces and Colloids·Tao WeiIgal Szleifer
Apr 16, 2014·ACS Applied Materials & Interfaces·Harihara S SundaramShaoyi Jiang
Oct 28, 2011·The Journal of Chemical Physics·Yi HeShaoyi Jiang
Feb 8, 2013·The Journal of Chemical Physics·Jens SmiatekLifeng Chi
Feb 16, 2010·The Journal of Chemical Physics·Yun XieShaoyi Jiang
Nov 15, 2006·The Journal of Chemical Physics·Jie ZhengShaoyi Jiang
Sep 1, 2008·Biointerphases·Mark J Stevens, Gary S Grest
Dec 15, 2015·ACS Applied Materials & Interfaces·Yu Cai, Daniel K Schwartz
Apr 5, 2011·Materials Science & Engineering. C, Materials for Biological Applications·Aparna Raman, Ellen S Gawalt
Sep 12, 2009·Colloids and Surfaces. B, Biointerfaces·Yangjun CaiBi-min Zhang Newby
Sep 30, 2008·Colloids and Surfaces. B, Biointerfaces·Hao-Jen HsuRuey-Yug Tsay
Oct 5, 2006·Journal of Computational Chemistry·Yu Sun, Robert A Latour
Jun 7, 2011·Macromolecular Rapid Communications·Cesar Rodriguez-EmmeneggerWilhelm T S Huck
Jan 30, 2013·Journal of Biomedical Materials Research. Part B, Applied Biomaterials·Hong-Ru Lin, Pei-Csang Chang
Sep 16, 2010·IEEE Transactions on Nanobioscience·Shih-Wei HungChing-Chang Chieng
Mar 18, 2016·Langmuir : the ACS Journal of Surfaces and Colloids·Hong ChenJie Zheng
Jan 21, 2015·Journal of Chromatography. a·Linling YuYan Sun

❮ Previous
Next ❯

Related Feeds

Bacterial Cell Wall Structure (ASM)

Bacterial cell walls are made of peptidoglycan (also called murein), which is made from polysaccharide chains cross-linked by unusual peptides containing D-amino acids. Here is the latest research on bacterial cell wall structures.

Bacterial Cell Wall Structure

Bacterial cell walls are made of peptidoglycan (also called murein), which is made from polysaccharide chains cross-linked by unusual peptides containing D-amino acids. Here is the latest research on bacterial cell wall structures.