scholarly journals Nanoparticle Shape Influence over Poly(lactic acid) Barrier Properties by Molecular Dynamics Simulations

ACS Omega ◽  
2022 ◽  
Author(s):  
Alejandro Prada ◽  
Rafael I. González ◽  
María B. Camarada ◽  
Sebastián Allende ◽  
Alejandra Torres ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Lactic Acid ◽  
Molecular Dynamics Simulations ◽  
Barrier Properties ◽  
Poly Lactic Acid ◽  
Nanoparticle Shape ◽  
Shape Influence ◽  
Dynamics Simulations

Thermal properties of poly(lactic acid) fumed silica nanocomposites: Experiments and molecular dynamics simulations

Polymer ◽  
2008 ◽  
Vol 49 (9) ◽  
pp. 2381-2386 ◽  
Author(s):  
Jian Zhang ◽  
Jianzhong Lou ◽  
Shamsuddin Ilias ◽  
Parakalan Krishnamachari ◽  
Jizhong Yan
Keyword(s):  
Molecular Dynamics ◽  
Lactic Acid ◽  
Thermal Properties ◽  
Molecular Dynamics Simulations ◽  
Fumed Silica ◽  
Poly Lactic Acid ◽  
Silica Nanocomposites ◽  
Dynamics Simulations

Poly(lactic acid)-based nanocomposites filled with cellulose nanocrystals with modified surface: all-atom molecular dynamics simulations

2016 ◽  
Vol 65 (8) ◽  
pp. 892-898 ◽  
Author(s):  
Artem D Glova ◽  
Stanislav G Falkovich ◽  
Sergey V Larin ◽  
Daria A Mezhenskaia ◽  
Natalia V Lukasheva ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Lactic Acid ◽  
Molecular Dynamics Simulations ◽  
Cellulose Nanocrystals ◽  
Poly Lactic Acid ◽  
Modified Surface ◽  
Dynamics Simulations

Coarse-grained A-graft-B model of poly(lactic acid) for molecular dynamics simulations

2017 ◽  
Vol 56 (7) ◽  
pp. 604-612 ◽  
Author(s):  
Mikhail Glagolev ◽  
Artyom Glova ◽  
Daria Mezhenskaia ◽  
Stanislav Falkovich ◽  
Sergey Larin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Lactic Acid ◽  
Molecular Dynamics Simulations ◽  
Coarse Grained ◽  
Poly Lactic Acid ◽  
Dynamics Simulations

The role of nanoparticle shape in translocation across the pulmonary surfactant layer revealed by molecular dynamics simulations

2018 ◽  
Vol 5 (8) ◽  
pp. 1921-1932 ◽  
Author(s):  
Zhen Luo ◽  
Shixin Li ◽  
Yan Xu ◽  
Zengshuai Yan ◽  
Fang Huang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Pulmonary Surfactant ◽  
Dominant Role ◽  
Nanoparticle Shape ◽  
Dynamics Simulations

We report using molecular dynamics simulations that the shape plays a dominant role in inhaled nanoparticle translocation through the pulmonary surfactant layer.

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