Biomaterial Database

Theory of collective proton motion at interfaces with densely packed protogenic surface groups. 2013

Anatoly Golovnev, and Michael Eikerling

Department of Chemistry, Simon Fraser University, 8888 University drive, Burnaby, BC, V5A 1S6, Canada. agolovne@sfu.ca

We present a theoretical study of collective proton transport at a 2D array of end-grafted protogenic surface groups with sulfonic acid head groups. The graft positions of the surface groups form a regular hexagonal lattice. We consider the interfacial array at a high packing density of the surface groups and under minimal hydration with one water molecule added per head group. For these conditions, the stable interfacial conformation consists of a bicomponent lattice of hexagonally ordered sulfonate anions and interstitial hydronium cations. Hydronium ion motion occurs as a travelling solitary wave. We analyse the microscopic parameters of the solitons and study the influence of different potential profiles on the proton motion created by rotation and tilting of sidechains and sulfonate anions. Using soliton solutions of the equation of motion, we establish relations between the energy and mobility of the solitons and the microscopic structural and interaction parameters of the array.

UI	MeSH Term	Description	Entries
D007477	Ions	An atom or group of atoms that have a positive or negative electric charge due to a gain (negative charge) or loss (positive charge) of one or more electrons. Atoms with a positive charge are known as CATIONS; those with a negative charge are ANIONS.
D007700	Kinetics	The rate dynamics in chemical or physical systems.
D008962	Models, Theoretical	Theoretical representations that simulate the behavior or activity of systems, processes, or phenomena. They include the use of mathematical equations, computers, and other electronic equipment.	Experimental Model,Experimental Models,Mathematical Model,Model, Experimental,Models (Theoretical),Models, Experimental,Models, Theoretic,Theoretical Study,Mathematical Models,Model (Theoretical),Model, Mathematical,Model, Theoretical,Models, Mathematical,Studies, Theoretical,Study, Theoretical,Theoretical Model,Theoretical Models,Theoretical Studies
D009038	Motion	Physical motion, i.e., a change in position of a body or subject as a result of an external force. It is distinguished from MOVEMENT, a process resulting from biological activity.	Motions
D009861	Onium Compounds	Ions with the suffix -onium, indicating cations with coordination number 4 of the type RxA+ which are analogous to QUATERNARY AMMONIUM COMPOUNDS (H4N+). Ions include phosphonium R4P+, oxonium R3O+, sulfonium R3S+, chloronium R2Cl+	Compounds, Onium
D011522	Protons	Stable elementary particles having the smallest known positive charge, found in the nuclei of all elements. The proton mass is less than that of a neutron. A proton is the nucleus of the light hydrogen atom, i.e., the hydrogen ion.	Hydrogen Ions,Hydrogen Ion,Ion, Hydrogen,Ions, Hydrogen,Proton
D004573	Electrolytes	Substances that dissociate into two or more ions, to some extent, in water. Solutions of electrolytes thus conduct an electric current and can be decomposed by it (ELECTROLYSIS). (Grant & Hackh's Chemical Dictionary, 5th ed)	Electrolyte
D001692	Biological Transport	The movement of materials (including biochemical substances and drugs) through a biological system at the cellular level. The transport can be across cell membranes and epithelial layers. It also can occur within intracellular compartments and extracellular compartments.	Transport, Biological,Biologic Transport,Transport, Biologic
D001703	Biophysics	The study of PHYSICAL PHENOMENA and PHYSICAL PROCESSES as applied to living things.	Mechanobiology
D012996	Solutions	The homogeneous mixtures formed by the mixing of a solid, liquid, or gaseous substance (solute) with a liquid (the solvent), from which the dissolved substances can be recovered by physical processes. (From Grant & Hackh's Chemical Dictionary, 5th ed)	Solution