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Physical Sciences and Mathematics Commons

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Chemistry

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Virginia Commonwealth University

Chemistry Publications

2015

Articles 1 - 4 of 4

Full-Text Articles in Physical Sciences and Mathematics

Genetic Encoding Of The Post-Translational Modification 2-Hydroxyisobutyryl-Lysine, William A. Knight, Thomas A. Cropp Jan 2015

Genetic Encoding Of The Post-Translational Modification 2-Hydroxyisobutyryl-Lysine, William A. Knight, Thomas A. Cropp

Chemistry Publications

We report the synthesis and genetic encoding of a recently discovered posttranslational modification, 2-hydroxyisobutryl-lysine, to the genetic code of E. coli. The production of homogeneous proteins containing this amino acid will facilitate the study of modification in full-length proteins.


Electrolyte Pore/Solution Partitioning By Expanded Grand Canonical Ensemble Monte Carlo Simulation, F. Moucka, D. Bratko, A. Luzar Jan 2015

Electrolyte Pore/Solution Partitioning By Expanded Grand Canonical Ensemble Monte Carlo Simulation, F. Moucka, D. Bratko, A. Luzar

Chemistry Publications

Using a newly developed grand canonical Monte Carlo approach based on fractional exchanges of dissolved ions and water molecules, we studied equilibrium partitioning of both components between laterally extended apolar confinements and surrounding electrolyte solution. Accurate calculations of the Hamiltonian and tensorial pressure components at anisotropic conditions in the pore required the development of a novel algorithm for a self-consistent correction of nonelectrostatic cut-off effects. At pore widths above the kinetic threshold to capillary evaporation, the molality of the salt inside the confinement grows in parallel with that of the bulk phase, but presents a nonuniform width-dependence, being depleted at …


Dynamic Control Of Nanopore Wetting In Water And Saline Solutions Under An Electric Field, D. Vanzo, D. Bratko, A. Luzar Jan 2015

Dynamic Control Of Nanopore Wetting In Water And Saline Solutions Under An Electric Field, D. Vanzo, D. Bratko, A. Luzar

Chemistry Publications

Field-induced nanopore wetting by aqueous solutions, including electrolytes, provides opportunities for a variety of applications. Con!icting porosity requirements have so far precluded direct implementations of a two-way control: the pores have to be su"ciently wide to allow water in#ltration at experimentally relevant voltages but should not exceed the kinetic threshold for spontaneous expulsion in the absence of the #eld. Applicable widths are restricted below a few nanometers. Only a narrow window of #elds and pore geometries can simultaneously satisfy both of the above requirements. Accurate accounts of wetting equilibria and dynamics at nanoscale porosity require molecular level descriptions. Here we …


Salt And Water Uptake In Nanocon!Nement Under Applied Electric Field: An Open Ensemble Monte Carlo Study, F. Moucka, D. Bratko, A. Luzar Jan 2015

Salt And Water Uptake In Nanocon!Nement Under Applied Electric Field: An Open Ensemble Monte Carlo Study, F. Moucka, D. Bratko, A. Luzar

Chemistry Publications

Permeation of electrolytes in nanoporous materials underlies many applications in energy and materials technologies. Wetting of apolar nanopores can be enhanced by electric !eld, attracting water and ions from unperturbed electrolyte bath. We study absorption of water and NaCl in the pores by Expanded Ensemble Grand Canonical Monte Carlo simulation, which implements particle insertions and deletions through incremental changes in particles’ coupling with the system. We determine the uptake of water and ions in the pores, and concomitant changes in pore thermodynamics, as functions of !eld strength in the pore and salinity in the external bath. Pressure increase and reduction …