Multiscale Modeling of Human Skin Oil-Induced Indoor Air Chemistry: Combining Kinetic Models and Molecular Dynamics

2020 ◽  
Vol 124 (18) ◽  
pp. 3836-3843 ◽  
Author(s):  
Michael von Domaros ◽  
Pascale S. J. Lakey ◽  
Manabu Shiraiwa ◽  
Douglas J. Tobias
Keyword(s):  
Molecular Dynamics ◽  
Human Skin ◽  
Multiscale Modeling ◽  
Indoor Air ◽  
Kinetic Models ◽  
Air Chemistry

scholarly journals Chemical kinetics of multiphase reactions between ozone and human skin lipids: Implications for indoor air quality and health effects

Indoor Air ◽  
2017 ◽  
Vol 27 (4) ◽  
pp. 816-828 ◽  
Author(s):  
P. S. J. Lakey ◽  
A. Wisthaler ◽  
T. Berkemeier ◽  
T. Mikoviny ◽  
U. Pöschl ◽  
...  
Keyword(s):  
Air Quality ◽  
Indoor Air Quality ◽  
Health Effects ◽  
Chemical Kinetics ◽  
Human Skin ◽  
Indoor Air ◽  
Skin Lipids ◽  
Multiphase Reactions ◽  
Kinetics Of

Emission of ammonia from human skin and its impact on indoor air quality

2013 ◽  
Vol 2013 (1) ◽  
pp. 4889
Author(s):  
Yoshika Sekine ◽  
Hidenobu Furukawa ◽  
Kazuyo Takahashi ◽  
Shiro Ikeda
Keyword(s):  
Air Quality ◽  
Indoor Air Quality ◽  
Human Skin ◽  
Indoor Air

Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study

RSC Advances ◽  
2014 ◽  
Vol 4 (97) ◽  
pp. 54447-54453 ◽  
Author(s):  
Md Bin Yeamin ◽  
N. Faginas-Lago ◽  
M. Albertí ◽  
I. G. Cuesta ◽  
J. Sánchez-Marín ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Dft Calculations ◽  
Modeling And Simulation ◽  
Molecular Dynamics Simulations ◽  
Multiscale Modeling ◽  
Molecular Hydrogen ◽  
Hydrogen Adsorption ◽  
Multi Scale ◽  
Dynamics Simulations

Multiscale modeling and simulation (MMS) combining B97-D/TZV2P DFT calculations and molecular dynamics simulations are performed to investigate the adsorption of hydrogen over coronene as a model of graphene.

scholarly journals Interaction between SARS-CoV-2 spike glycoprotein and human skin models: a molecular dynamics study

Soft Matter ◽  
2021 ◽  
Author(s):  
Marc Domingo ◽  
Jordi Faraudo
Keyword(s):  
Molecular Dynamics ◽  
Human Skin ◽  
Respiratory Viruses ◽  
Spike Glycoprotein ◽  
Indirect Transmission ◽  
Physico Chemical ◽  
Human Skin Models

The possibility of contamination of human skin by infectious virions plays an important role in indirect transmission of respiratory viruses but little is known about the fundamental physico-chemical aspects of...

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