Specific ion effects at the air/water interface
P Jungwirth, DJ Tobias - Chemical reviews, 2006 - ACS Publications
Aqueous ion-containing interfaces are ubiquitous and play a key role in a plethora of
physical, chemical, atmospheric, and biological processes, from which we mention just a few …
physical, chemical, atmospheric, and biological processes, from which we mention just a few …
[HTML][HTML] The energy balance model of obesity: beyond calories in, calories out
ABSTRACT A recent Perspective article described the “carbohydrate-insulin model (CIM)” of
obesity, asserting that it “better reflects knowledge on the biology of weight control” as …
obesity, asserting that it “better reflects knowledge on the biology of weight control” as …
Physical activity before and during pregnancy and risk of gestational diabetes mellitus: a meta-analysis
OBJECTIVE Gestational diabetes mellitus (GDM) is one of the most common complications
of pregnancy and is associated with a substantially elevated risk of adverse health outcomes …
of pregnancy and is associated with a substantially elevated risk of adverse health outcomes …
Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types
JB Klauda, RM Venable, JA Freites… - The journal of …, 2010 - ACS Publications
A significant modification to the additive all-atom CHARMM lipid force field (FF) is developed
and applied to phospholipid bilayers with both choline and ethanolamine containing head …
and applied to phospholipid bilayers with both choline and ethanolamine containing head …
Constant pressure molecular dynamics algorithms
Modularly invariant equations of motion are derived that generate the isothermal-isobaric
ensemble as their phase space averages. Isotropic volume fluctuations and fully flexible …
ensemble as their phase space averages. Isotropic volume fluctuations and fully flexible …
Explicit reversible integrators for extended systems dynamics
Explicit reversible integrators, suitable for use in large-scale computer simulations, are
derived for extended systems generating the canonical and isothermal-isobaric ensembles …
derived for extended systems generating the canonical and isothermal-isobaric ensembles …
Experiments and simulations of ion-enhanced interfacial chemistry on aqueous NaCl aerosols
EM Knipping, MJ Lakin, KL Foster, P Jungwirth… - Science, 2000 - science.org
A combination of experimental, molecular dynamics, and kinetics modeling studies is
applied to a system of concentrated aqueous sodium chloride particles suspended in air at …
applied to a system of concentrated aqueous sodium chloride particles suspended in air at …
Ions at the air/water interface
P Jungwirth, DJ Tobias - The Journal of Physical Chemistry B, 2002 - ACS Publications
We present results from theoretical studies of aqueous ionic solvation of alkali halides aimed
at developing a microscopic description of structure and dynamics at the interface between …
at developing a microscopic description of structure and dynamics at the interface between …
Molecular structure of salt solutions: A new view of the interface with implications for heterogeneous atmospheric chemistry
P Jungwirth, DJ Tobias - The Journal of Physical Chemistry B, 2001 - ACS Publications
Most salts raise the surface tension of water. Interpretation of this phenomenon via the Gibbs
adsorption equation has led to the commonly held belief that the ions are repelled from the …
adsorption equation has led to the commonly held belief that the ions are repelled from the …
[HTML][HTML] Second international consensus report on gaps and opportunities for the clinical translation of precision diabetes medicine
Precision medicine is part of the logical evolution of contemporary evidence-based medicine
that seeks to reduce errors and optimize outcomes when making medical decisions and …
that seeks to reduce errors and optimize outcomes when making medical decisions and …