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Nowadays, hydrogen activation by frustrated Lewis pairs (FLPs) and their applications have been demonstrated to be one of emerge research topics in the field of catalysis. Previous studies have shown that the thermodynamics of these…

Chemical Physics · Physics 2021-02-03 Xiaoqing Liu , Xue Li , Xiaoqian Yao , Weizhen Zhao , Lei Liu

Room temperature ionic liquids are salts which are molten at or around room temperature without any added solvent or solution. In bulk they exhibit glass like dependence of conductivity with temperature as well as coupling of structural and…

Applied Physics · Physics 2019-12-06 Sanjin Marion , Sebastian J. Davis , Zeng-Qiang Wu , Aleksandra Radenovic

Aqueous solutions of amino acid ionic liquids (AAILs) are of high importance for applications in protein synthesis and solubilization, enzymatic reactions, templates for synthetic study, etc. This work employs molecular dynamics simulations…

Materials Science · Physics 2014-12-19 Vitaly V. Chaban , Eudes Eterno Fileti

We investigated the effect of charge on the membrane morphology of giant unilamellar vesicles (GUVs) composed of various mixtures containing charged lipids. We observed the membrane morphologies by fluorescent and confocal laser microscopy…

Soft Condensed Matter · Physics 2016-01-08 Hiroki Himeno , Hiroaki Ito , Yuji Higuchi , Tsutomu Hamada , Naofumi Shimokawa , Masahiro Takagi

Ionic Liquids feature thermophysical properties that are of interest in solvents, energy storage materials and tenable lubrication applications. Recently, a series of coarse grained (CG) models was developed to investigate…

Soft Condensed Matter · Physics 2020-02-19 Oscar Y. Fajardo , Silvia Di Lecce , Fernando Bresme

We monitored the action of phospholipase A2 (PLA2) on L- and D-dipalmitoylphosphatidylcholine (DPPC) Langmuir monolayers by mounting a Langmuir-trough on a wide-field fluorescence microscope with single molecule sensitivity. This made it…

Biological Physics · Physics 2010-06-17 M. Gudmand , S. Rocha , N. S. Hatzakis , K. Peneva , K. Muellen , D. Stamou , H. Uji-I , J. Hofkens , T. Bjornholm , T. Heimburg

The cell membrane is inherently asymmetric and heterogeneous in its composition, a feature that is crucial for its function. Using atomistic molecular dynamics simulations, the physical properties of a 3-component asymmetric mixed lipid…

Soft Condensed Matter · Physics 2012-04-04 Anirban Polley , Satyavani Vemparala , Madan Rao

We report diffusion coeffcients of micron-scale liquid domains in giant unilamellar vesicles of phospholipids and cholesterol. The trajectory of each domain is tracked, and the mean square displacement grows linearly in time as expected for…

Soft Condensed Matter · Physics 2007-05-23 Pietro Cicuta , Sarah L. Keller , Sarah L. Veatch

A recent study has demonstrated that phase separation in binary liquid mixtures is arrested in the presence of elastic networks and can lead to a nearly uniformly-sized distribution of the dilute-phase droplets. At longer timescales, these…

Soft Condensed Matter · Physics 2020-10-28 Mrityunjay Kothari , Tal Cohen

Room Temperature Ionic Liquids (RTILs) have attracted much of the attention of the scientific community in the past decade due the their novel and highly customizable properties. Nonetheless their high viscosities pose serious limitations…

Chemical Physics · Physics 2012-08-09 Oliviero Andreussi , Nicola Marzari

It is well-known that room temperature ionic liquids (RTILs) often adopt a charge-separated layered structure, i.e., with alternating cation- and anion-rich layers, at electrified interfaces. However, the dynamic response of the layered…

The behavior of a non-conductive quasi-planar lipid membrane in an electrolyte and in a static (DC) electric field is investigated theoretically in the nonlinear (Poisson-Boltzmann) regime. Electrostatic effects due to charges in the…

Soft Condensed Matter · Physics 2015-05-18 Falko Ziebert , David Lacoste

In this paper, we examine the mechanical role of the lipid bilayer in ion channel conformation and function with specific reference to the case of the mechanosensitive channel of large conductance (MscL). In a recent paper (Wiggins and…

Biomolecules · Quantitative Biology 2009-11-10 Paul Wiggins , Rob Phillips

The assembly of curved protein rods on fluid membranes is studied using implicit-solvent meshless membrane simulations. As the rod curvature increases, the rods on a membrane tube assemble along the azimuthal direction first and…

Soft Condensed Matter · Physics 2016-05-18 Hiroshi Noguchi

The hydration layer surrounding the phosphocholine headgroups of single-component phosphatidylcholine (PC) lipids, or of lipid-mixtures, assembled at an interface greatly modifies the interfacial properties and interactions. As water…

Soft Condensed Matter · Physics 2022-04-27 Yifeng Cao , Jacob Klein

The impact of mesoscale organization on dynamics and ion transport in binary ionic liquid mixtures is investigated by broadband dielectric spectroscopy, dynamic-mechanical spectroscopy, x-ray scattering, and molecular dynamics simulations.…

Soft Condensed Matter · Physics 2019-05-09 Tyler Cosby , Utkarsh Kapoor , Jindal K. Shah , Joshua Sangoro

We use a long, all-atom molecular dynamics (MD) simulation combined with theoretical modeling to investigate the dynamics of selected lipid atoms and lipid molecules in a hydrated diyristoyl-phosphatidylcholine (DMPC) lipid bilayer. From…

Biological Physics · Physics 2009-11-13 Elijah Flenner , Jhuma Das , Maikel C. Rheinstadter , Ioan Kosztin

We analyze the changes in the vicinal acidity (pH) at a spherical amphiphilic membrane. The membrane is assumed to contain solvent accessible, embedded, dissociable, charge regulated moieties. Basing our approach on the linear…

Soft Condensed Matter · Physics 2023-08-16 Petch Khunpetch , Arghya Majee , Hu Ruixuan , Rudolf Podgornik

The spatio-temporal organization of proteins and the associated morphological changes in membranes are of importance in cell signaling. Several mechanisms that promote the aggregation of proteins at low cell surface concentrations have been…

Biological Physics · Physics 2018-04-18 K. K. Sreeja , P. B. Sunil Kumar

Persistence length of dsDNA is known to decrease with increase in ionic concentration of the solution. In contrast to this, here we show that persistence length of dsDNA increases dramatically as a function of ionic liquid (IL)…

Biological Physics · Physics 2018-08-15 Ashok Garai , Debostuti Ghoshdastidar , Sanjib Senapati , Prabal K. Maiti