Efficiency and mechanism of C18-functionalized magnetic nanoparticles for extracting weakly polar pesticides from human serum determined by UHPLC-QTOF-MS and molecular dynamics simulations

2021 ◽  
pp. 118489
Author(s):  
Xue-feng Yin ◽  
Qing-yu Wang ◽  
Fa-zheng Ren ◽  
Guo-fang Pang ◽  
Xiao-xu Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Magnetic Nanoparticles ◽  
Human Serum ◽  
Molecular Dynamics Simulations ◽  
Polar Pesticides ◽  
Functionalized Magnetic Nanoparticles ◽  
Dynamics Simulations

scholarly journals Effects of magnetic field gradients on the aggregation dynamics of colloidal magnetic nanoparticles

Soft Matter ◽  
2015 ◽  
Vol 11 (38) ◽  
pp. 7606-7616 ◽  
Author(s):  
D. Heinrich ◽  
A. R. Goñi ◽  
T. M. Osán ◽  
L. M. C. Cerioni ◽  
A. Smessaert ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Molecular Dynamics ◽  
Magnetic Nanoparticles ◽  
Molecular Dynamics Simulations ◽  
Theoretical Models ◽  
Experimental Results ◽  
Field Gradients ◽  
Magnetic Field Gradients ◽  
Dynamics Simulations

We combined theoretical models, experimental results and molecular dynamics simulations to explain the aggregation dynamics of ferrofluids in the presence of magnetic field gradients.

Interactions between the antiviral drug telaprevir and human serum albumin: a combined study with spectroscopic methods and molecular modeling

2018 ◽  
Vol 42 (12) ◽  
pp. 9791-9800 ◽  
Author(s):  
Xinnuo Xiong ◽  
Ruixue Gan ◽  
Zili Suo ◽  
Peixiao Tang ◽  
Shuangshuang Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Modeling ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Molecular Dynamics Simulations ◽  
Antiviral Drug ◽  
Spectroscopic Methods ◽  
Binding Mechanism ◽  
Dynamics Simulations

The binding mechanism between telaprevir and human serum albumin was explored by combining spectroscopic methods and molecular dynamics simulations.

scholarly journals Layered double hydroxide–borate composites supported on magnetic nanoparticles: preparation, characterization and molecular dynamics simulations

2020 ◽  
Vol 27 (3) ◽  
pp. 735-743
Author(s):  
Ahmet Nedim Ay ◽  
Birgul Zumreoglu-Karan ◽  
Andrey G. Kalinichev ◽  
Vicente Rives ◽  
Raquel Trujillano ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Magnetic Nanoparticles ◽  
Molecular Dynamics Simulations ◽  
Layered Double Hydroxide ◽  
Dynamics Simulations ◽  
Double Hydroxide
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