1530 Mechanisms of Ultrasound-mediated Molecular Transport Across Cell Membranes : Molecular Dynamics Simulations

2007 ◽  
Vol 2007.2 (0) ◽  
pp. 153-154
Author(s):  
Kenichiro KOSHIYAMA ◽  
Tetsuya KODAMA ◽  
Takeru YANO ◽  
Shigeo FUJIKAWA
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Cell Membranes ◽  
Molecular Transport ◽  
Dynamics Simulations

Transport of nanoparticles across pulmonary surfactant monolayer: a molecular dynamics study

2017 ◽  
Vol 19 (27) ◽  
pp. 17568-17576 ◽  
Author(s):  
Yan Xu ◽  
Li Deng ◽  
Hao Ren ◽  
Xianren Zhang ◽  
Fang Huang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Target Cell ◽  
Pulmonary Surfactant ◽  
Cell Membranes ◽  
Dynamics Simulations

Three types of nanoparticles, including hydrophobic nanoparticles, hydrophilic nanoparticles, and hydrophilic nanoparticles coated with lipids, were found by our molecular dynamics simulations to be transported across the pulmonary surfactant monolayer, but via different pathways, which affect their subsequent interactions with target cell membranes.

scholarly journals Liquid self-diffusion of H2O and DMF molecules in Co-MOF-74: molecular dynamics simulations and dielectric spectroscopy studies

2016 ◽  
Vol 18 (29) ◽  
pp. 19605-19612 ◽  
Author(s):  
J. M. Bermúdez-García ◽  
J. M. Vicent-Luna ◽  
S. Yáñez-Vilar ◽  
S. Hamad ◽  
M. Sánchez-Andújar ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dielectric Spectroscopy ◽  
Molecular Transport ◽  
Self Diffusion ◽  
Spectroscopy Studies ◽  
Dynamics Simulations ◽  
Non Destructive

Dielectric spectroscopy, supported by molecular dynamics simulations, is found to be a fast and non-destructive technique to study molecular transport within porous MOFs and related materials.

scholarly journals From dioxin to dioxin congeners: understanding the differences in hydrophobic aggregation in water and absorption into lipid membranes by means of atomistic simulations

2016 ◽  
Vol 18 (26) ◽  
pp. 17731-17739 ◽  
Author(s):  
Mosé Casalegno ◽  
Guido Raos ◽  
Guido Sello
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lipid Membranes ◽  
Cell Membranes ◽  
Atomistic Simulations ◽  
Dynamics Simulations ◽  
Hydrophobic Aggregation

Molecular dynamics simulations indicate that dioxin likely accumulates in cell membranes more than its congeners (anthracene, tetrahydrodioxin, 3,3′,5,5′-tetrachlorobiphenyl, and 1,2-dihydroxytetrahydrodibenzo-p-dioxin).

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