Molecular dynamics simulations of membrane permeability
This Review illustrates the evaluation of permeability of lipid membranes from molecular
dynamics (MD) simulation primarily using water and oxygen as examples. Membrane …
dynamics (MD) simulation primarily using water and oxygen as examples. Membrane …
Mechanistic understanding from molecular dynamics in pharmaceutical research 2: lipid membrane in drug design
We review the use of molecular dynamics (MD) simulation as a drug design tool in the
context of the role that the lipid membrane can play in drug action, ie, the interaction …
context of the role that the lipid membrane can play in drug action, ie, the interaction …
Chronic alcohol metabolism results in DNA repair infidelity and cell cycle‐induced senescence in neurons
Chronic binge‐like drinking is a risk factor for age‐related dementia, however, the lasting
and irreversible effect of alcohol on the brain remains elusive. Transcriptomic changes in …
and irreversible effect of alcohol on the brain remains elusive. Transcriptomic changes in …
Ultrafast and Reversible Superwettability Switching of 3D Graphene Foams via Solvent-Exclusive Plasma Treatments
For highly active electron transfer and ion diffusion, controlling the surface wettability of
electrically and thermally conductive 3D graphene foams (3D GFs) is required. Here, we …
electrically and thermally conductive 3D graphene foams (3D GFs) is required. Here, we …
Wrapping–Trapping versus Extraction Mechanism of Bactericidal Activity of MoS2 Nanosheets against Staphylococcus aureus Bacterial Membrane
M Kumari, HK Kashyap - Langmuir, 2023 - ACS Publications
The promising broad-spectrum antibacterial activity of two-dimensional molybdenum
disulfide (2D MoS2) has been widely recognized in the past decade. However, a …
disulfide (2D MoS2) has been widely recognized in the past decade. However, a …
Stability of Cytoplasmic Membrane of Escherichia coli Bacteria in Aqueous and Ethanolic Environment
The mechanism of action of any antibacterial agent or disinfectant depends largely on their
interaction with the bacterial membrane. Herein, we use the SPICA (surface property fitting …
interaction with the bacterial membrane. Herein, we use the SPICA (surface property fitting …
Molecular structure of sphingomyelin in fluid phase bilayers determined by the joint analysis of small-angle neutron and X-ray scattering data
M Doktorova, N Kučerka, JJ Kinnun… - The Journal of …, 2020 - ACS Publications
We have determined the fluid bilayer structure of palmitoyl sphingomyelin (PSM) and
stearoyl sphingomyelin (SSM) by simultaneously analyzing small-angle neutron and X-ray …
stearoyl sphingomyelin (SSM) by simultaneously analyzing small-angle neutron and X-ray …
Deciphering ethanol-driven swelling, rupturing, aggregation, and fusion of lipid vesicles using coarse-grained molecular dynamics simulations
Shobhna, HK Kashyap - Langmuir, 2022 - ACS Publications
Traditionally, liquid ethanol is known to enhance the permeability of lipid membranes and
causes vesicle aggregation and fusion. However, how the amphiphilic ethanol molecules …
causes vesicle aggregation and fusion. However, how the amphiphilic ethanol molecules …
Initial defect product on immiscible mixture of palm oil: Ethanol by amphiphilic chitosan/Zeolite LTA as optimization of microemulsion fuel
Microemulsion fuels have involved oil, alcohol, surfactant, and cosurfactant/amphiphilic
molecule. A system of chemical reactions takes place between phase boundaries. Palm oil …
molecule. A system of chemical reactions takes place between phase boundaries. Palm oil …
Permeabilization of the cell wall of Chlorella sorokiniana by the chitosan-degrading protease papain
K Brückner, C Griehl - Algal Research, 2023 - Elsevier
To enhance the nutritional value of Chlorella microalgae for use in food and feed, it is crucial
to improve the bioavailability of nutrients and bioactive compounds from whole-cell biomass …
to improve the bioavailability of nutrients and bioactive compounds from whole-cell biomass …