scholarly journals Tuning molecular dynamics by hydration and confinement: antiplasticizing effect of water in hydrated prilocaine nanoclusters

2019 ◽  
Vol 21 (28) ◽  
pp. 15576-15583 ◽  
Author(s):  
G. N. Ruiz ◽  
I. Combarro-Palacios ◽  
S. E. McLain ◽  
G. A. Schwartz ◽  
L. C. Pardo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Effect Of Water ◽  
Molecular Glass

Antiplasticizing effect of hydration vs. plasticizing effect of nanoconfinement in a molecular glass former.

Effect of water nanoconfinement on the dynamic properties of paramagnetic colloidal complexes

2021 ◽  
Author(s):  
Luca Bergamasco ◽  
Matteo Morciano ◽  
Matteo Fasano
Keyword(s):  
Molecular Dynamics ◽  
Dynamic Properties ◽  
Mechanistic Modeling ◽  
Paramagnetic Complex ◽  
Local Enhancement ◽  
Relaxation Properties ◽  
Effect Of Water ◽  
Tumbling Motion

We analyze the tumbling motion of a solvated paramagnetic complex close to confining particles. Molecular dynamics data is interpreted via mechanistic modeling, towards design of improved nanovectors for local enhancement of relaxation properties.

scholarly journals X-Ray structure and ionic conductivity studies of anhydrous and hydrated choline chloride and oxalic acid deep eutectic solvents

2018 ◽  
Vol 20 (48) ◽  
pp. 30120-30124 ◽  
Author(s):  
Lorenzo Gontrani ◽  
Matteo Bonomo ◽  
Natalia V. Plechkova ◽  
Danilo Dini ◽  
Ruggero Caminiti
Keyword(s):  
Molecular Dynamics ◽  
Ionic Conductivity ◽  
Oxalic Acid ◽  
Choline Chloride ◽  
Deep Eutectic Solvents ◽  
X Ray ◽  
Effect Of Water ◽  
Shed Light

X-Ray, conductivity and molecular dynamics studies shed light on the effect of water of crystallization on choline chloride–oxalic acid DESs

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