Search Results - "Jameson, Cynthia J"
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Surface-Functionalized Nanoparticle Permeation Triggers Lipid Displacement and Water and Ion Leakage
Published in Langmuir (27-01-2015)“…Functionalized nanoparticles (NPs) are considered suitable carriers for targeted drug delivery systems. However, the ion and water leakage induced by…”
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Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane
Published in Membranes (Basel) (30-08-2023)“…Recent experimental work has shown zeolite membrane-based separation as a promising potential technology for Kr/Xe gas mixtures due to its much lower energy…”
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3
Nanoparticle Permeation Induces Water Penetration, Ion Transport, and Lipid Flip-Flop
Published in Langmuir (11-12-2012)“…Nanoparticles are generally considered excellent candidates for targeted drug delivery. However, ion leakage and cytotoxicity induced by nanoparticle…”
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Role of surface ligands in nanoparticle permeation through a model membrane: a coarse-grained molecular dynamics simulations study
Published in Molecular physics (01-09-2012)“…How nanoparticles interact with biological membranes is of significant importance in determining the toxicity of nanoparticles as well as their potential…”
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5
Ion permeation dynamics in carbon nanotubes
Published in The Journal of chemical physics (28-08-2006)“…Molecular dynamics simulations are carried out to investigate the permeation of ions and water in a membrane consisting of single wall carbon nanotubes…”
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Modeling Enantiomeric Separations as an Interfacial Process Using Amylose Tris(3,5-dimethylphenyl carbamate) (ADMPC) Polymers Coated on Amorphous Silica
Published in Langmuir (11-02-2020)“…Chiral high-performance liquid chromatography (HPLC) is commonly performed to isolate the biologically active enantiomer of a drug from the ineffective or even…”
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7
Permeation of nanocrystals across lipid membranes
Published in Molecular physics (10-06-2011)“…Biological membranes are one of the major structural elements of cells, and play a key role as a selective barrier and substrate for many proteins that…”
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Molecular dynamics simulations of enantiomeric separations as an interfacial process in HPLC
Published in AIChE journal (01-03-2021)“…Since chromatographic separation is a dynamic process, with the interactions between the drug and the chiral stationary phase mediated by the solvent, no…”
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Molecular dynamics simulation of ion selectivity process in nanopores
Published in Molecular simulation (01-02-2008)“…The behaviour of cations in nanopores plays an important role in transport processes in the biological and industrial membranes, porous electrodes, ion…”
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10
Xe NMR Lineshapes in Channels of Peptide Molecular Crystals
Published in Proceedings of the National Academy of Sciences - PNAS (28-12-2004)“…To further an understanding of the nature of information available from Xe chemical shifts in cavities in biological systems, it would be advantageous to start…”
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The chemical shifts of Xe in the cages of clathrate hydrate Structures I and II
Published in The Journal of chemical physics (15-01-2004)“…We report, for the first time, a calculation of the isotropic NMR chemical shift of 129Xe in the cages of clathrate hydrates Structures I and II. We generate a…”
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12
Molecular dynamics simulations of the chiral recognition mechanism for a polysaccharide chiral stationary phase in enantiomeric chromatographic separations
Published in Molecular physics (17-12-2019)“…We use explicit-solvent fully atomistic molecular dynamics (MD) simulations, permitting all the interactions between the atoms constituting the polymeric…”
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13
Simulated Permeation and Characterization of PEGylated Gold Nanoparticles in a Lipid Bilayer System
Published in Langmuir (02-08-2016)“…PEGylated gold nanoparticles are considered suitable nanocarriers for use in biomedical applications and targeted drug delivery systems. In our previous…”
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14
Transport of Vanadium and Oxovanadium Ions Across Zeolite Membranes: A Molecular Dynamics Study
Published in Journal of physical chemistry. C (16-10-2014)“…Redox flow batteries (RFBs) have become an attractive form of energy storage because of their safety, capacity, and small environmental footprint; however,…”
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Molecular-Level "Observations" of the Behavior of Gold Nanoparticles in Aqueous Solution and Interacting with a Lipid Bilayer Membrane
Published in Methods in molecular biology (Clifton, N.J.) (01-01-2019)“…We use coarse-grained molecular dynamics simulations to "observe" details of interactions between ligand-covered gold nanoparticles and a lipid bilayer model…”
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Rotational behaviour of PEGylated gold nanorods in a lipid bilayer system
Published in Molecular physics (18-06-2017)“…PEGylated gold nanorods are widely used as nanocarriers in targeted drug delivery and other nanotechnology applications due to the special optical and…”
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Molecular dynamics simulations reveal how characteristics of surface and permeant affect permeation events at the surface of soft matter
Published in Molecular simulation (13-04-2017)“…Molecular dynamics simulations are particularly useful in providing details that permit understanding of phenomena occurring at surfaces, phenomena…”
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Novel methods to characterise spatial distribution and enantiomeric composition of usnic acids in four Icelandic lichens
Published in Phytochemistry (Oxford) (01-08-2022)“…Usnic acid is an antibiotic metabolite produced by a wide variety of lichenized fungal lineages. The enantiomers of usnic acid have been shown to display…”
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Using Molecular Simulations To Develop Reliable Design Tools and Correlations for Engineering Applications of Aqueous Electrolyte Solutions
Published in Journal of chemical and engineering data (14-04-2016)“…Many industrial processes involve processing aqueous electrolyte solutions. There is thus a need for accurate theories to predict their thermophysical…”
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Understanding Separation Mechanisms of Monoatomic Gases, Such as Kr and Xe, via DD3R Zeolite Membrane Using Molecular Dynamics
Published in Thermo (01-03-2022)“…Noble gas fission byproducts, such as Kr and Xe, are generated within nuclear power reactors are currently being discharged into the atmosphere. This practice…”
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