Protons and hydroxide ions in aqueous systems
Understanding the structure and dynamics of water's constituent ions, proton and hydroxide,
has been a subject of numerous experimental and theoretical studies over the last century …
has been a subject of numerous experimental and theoretical studies over the last century …
Proton solvation and transport in aqueous and biomolecular systems: Insights from computer simulations
JMJ Swanson, CM Maupin, H Chen… - The Journal of …, 2007 - ACS Publications
The excess proton in aqueous media plays a pivotal role in many fundamental chemical (eg,
acid− base chemistry) and biological (eg, bioenergetics and enzyme catalysis) processes …
acid− base chemistry) and biological (eg, bioenergetics and enzyme catalysis) processes …
Role of charge transfer in the structure and dynamics of the hydrated proton
JMJ Swanson, J Simons - The Journal of Physical Chemistry B, 2009 - ACS Publications
Although it has long been recognized that multiple water molecules strongly associate with
an extra proton in bulk water, some models and conceptual frameworks continue to utilize …
an extra proton in bulk water, some models and conceptual frameworks continue to utilize …
Propensity of hydrated excess protons and hydroxide anions for the air–water interface
Significant effort has been undertaken to better understand the molecular details governing
the propensity of ions for the air–water interface. Facilitated by computationally efficient …
the propensity of ions for the air–water interface. Facilitated by computationally efficient …
Kinetics of proton transport in water
AA Kornyshev, AM Kuznetsov, E Spohr… - The Journal of Physical …, 2003 - ACS Publications
The excess proton mobility in water has attracted scientific attention for more than a century.
Detailed theoretical concepts and models are also presently in strong focus in efforts toward …
Detailed theoretical concepts and models are also presently in strong focus in efforts toward …
Differences of cations and anions: Their hydration, surface adsorption, and impact on water dynamics
L Yang, Y Fan, YQ Gao - The Journal of Physical Chemistry B, 2011 - ACS Publications
The higher tendency for anions to accumulate at the salt aqueous solution/air interface than
that of cations has been observed experimentally and theoretically, suggesting that the size …
that of cations has been observed experimentally and theoretically, suggesting that the size …
Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer
Proton transfer via hydronium and hydroxide ions in water is ubiquitous. It underlies acid–
base chemistry, certain enzyme reactions, and even infection by the flu. Despite two …
base chemistry, certain enzyme reactions, and even infection by the flu. Despite two …
The proton in biochemistry: impacts on bioenergetics, biophysical chemistry, and bioorganic chemistry
TP Silverstein - Frontiers in Molecular Biosciences, 2021 - frontiersin.org
The proton is the smallest atomic particle, and in aqueous solution it is the smallest hydrated
ion, having only two waters in its first hydration shell. In this article we survey key aspects of …
ion, having only two waters in its first hydration shell. In this article we survey key aspects of …
Solvation Structure and Mobility Mechanism of OH-: A Car−Parrinello Molecular Dynamics Investigation of Alkaline Solutions
The hydroxide ion (OH-) has an unusually high mobility in water, comparable to that of the
proton. However, a consensus view of the OH-mobility mechanism and its solvation structure …
proton. However, a consensus view of the OH-mobility mechanism and its solvation structure …
Tracking aqueous proton transfer by two-dimensional infrared spectroscopy and ab initio molecular dynamics simulations
Proton transfer in water is ubiquitous and a critical elementary event that, via proton hopping
between water molecules, enables protons to diffuse much faster than other ions. The …
between water molecules, enables protons to diffuse much faster than other ions. The …