Local dynamics in supramolecular polymer networks probed by magnetic particle nanorheology

Soft Matter ◽  
2019 ◽  
Vol 15 (5) ◽  
pp. 842-850 ◽  
Author(s):  
Melissa Hess ◽  
Eric Roeben ◽  
Axel Habicht ◽  
Sebastian Seiffert ◽  
Annette M. Schmidt
Keyword(s):  
Molecular Dynamics ◽  
Metal Ion ◽  
Magnetic Particle ◽  
Rotational Diffusion ◽  
Polymer Networks ◽  
Supramolecular Polymer ◽  
Local Dynamics ◽  
Bond Strengths ◽  
Transient Networks

By analysing the rotational diffusion of nanoprobes, we explore bond strengths and molecular dynamics in metal ion-coordinated transient networks.

Reversible formation of supramolecular polymer networks via orthogonal pillar[10]arene-based host–guest interactions and metal ion coordinations

2015 ◽  
Vol 44 (47) ◽  
pp. 20334-20337 ◽  
Author(s):  
Lintao Wu ◽  
Chun Han ◽  
Xi Wu ◽  
Lei Wang ◽  
Yaozi Caochen ◽  
...  
Keyword(s):  
Molecular Recognition ◽  
Metal Ion ◽  
Polymer Networks ◽  
Supramolecular Polymer ◽  
Reversible Formation

Reversible supramolecular polymer networks were constructed by orthogonal pillar[10]arene-based host–guest molecular recognition, terpyridine–Zn2+, and carbene–Ag+ coordinations.

Exploring secondary interactions and the role of temperature in moisture-contaminated polymer networks through molecular simulations

Soft Matter ◽  
2021 ◽  
Vol 17 (10) ◽  
pp. 2942-2956
Author(s):  
Rishabh D. Guha ◽  
Ogheneovo Idolor ◽  
Katherine Berkowitz ◽  
Melissa Pasquinelli ◽  
Landon R. Grace
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Temperature Variation ◽  
Polymer Networks ◽  
Molecular Simulations ◽  
Effect Of Temperature ◽  
Secondary Interactions ◽  
Dynamics Simulations ◽  
Secondary Bonding

We investigated the effect of temperature variation on the secondary bonding interactions between absorbed moisture and epoxies with different morphologies using molecular dynamics simulations.

Synthesis of interpenetrating polymer networks as metal ion complexing agents

1986 ◽  
Vol 19 (2) ◽  
pp. 273-280 ◽  
Author(s):  
Spiro D. Alexandratos ◽  
Marc A. Strand
Keyword(s):  
Metal Ion ◽  
Polymer Networks ◽  
Interpenetrating Polymer Networks ◽  
Complexing Agents

Molecular dynamics of macrocycle-metal ion complexes involving heteronuclear binding atoms

1989 ◽  
Vol 61 (9) ◽  
pp. 1593-1596 ◽  
Author(s):  
L. J. Rodriguez ◽  
M. Xu ◽  
E. M. Eyring ◽  
S. Petrucci
Keyword(s):  
Molecular Dynamics ◽  
Metal Ion ◽  
Metal Ion Complexes

scholarly journals Scaling Laws in Supramolecular Polymer Networks

2011 ◽  
Vol 44 (13) ◽  
pp. 5465-5472 ◽  
Author(s):  
Donghua Xu ◽  
Stephen L. Craig
Keyword(s):  
Scaling Laws ◽  
Polymer Networks ◽  
Supramolecular Polymer

In silico profiling and structural insights of zinc metal ion on O6-methylguanine methyl transferase and its interactions using molecular dynamics approach

2021 ◽  
Vol 27 (2) ◽  
Author(s):  
Marzieh Gharouni ◽  
Hamid Mosaddeghi ◽  
Jamshid Mehrzad ◽  
Ali Es-haghi ◽  
Alireza Motavalizadehkakhky
Keyword(s):  
Molecular Dynamics ◽  
In Silico ◽  
Metal Ion ◽  
Methyl Transferase ◽  
Zinc Metal ◽  
Structural Insights

scholarly journals Rotational-Diffusion Propagator of the Intramolecular Proton–Proton Vector in Liquid Water: A Molecular Dynamics Study

2017 ◽  
Vol 121 (48) ◽  
pp. 10893-10905 ◽  
Author(s):  
W. A. Monika Madhavi ◽  
Samantha Weerasinghe ◽  
Konstantin I. Momot
Keyword(s):  
Molecular Dynamics ◽  
Liquid Water ◽  
Rotational Diffusion ◽  
Proton Proton
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