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Insight into the Structure and Dynamics of Polymers by Neutron Scattering Combined with Atomistic Molecular Dynamics Simulations
(MDPI, 2020-12-21)
Combining neutron scattering and fully atomistic molecular dynamics simulations allows unraveling structural and dynamical features of polymer melts at different length scales, mainly in the intermolecular and monomeric ...
Energetics and Structural Characterization of the large-scale Functional Motion of Adenylate Kinase
(Nature Publishing, 2015-02-12)
Adenylate Kinase (AK) is a signal transducing protein that regulates cellular energy homeostasis balancing between different conformations. An alteration of its activity can lead to severe pathologies such as heart failure, ...
Crystallization and self-nucleation of PLA, PBS and PCL in their immiscible binary and ternary blends
(Elservier, 2019-06-13)
Three semicrystalline polyesters, poly(lactic acid), poly(caprolactone) and poly(butylene succinate) (PLA, PCL and PBS) were melt blended to prepare binary and ternary systems of selected compositions. In binary blends ...
Brownian Dynamics Computational Model of Protein Diffusion in Crowded Media with Dextran Macromolecules as Obstacles
(MDPI, 2017-03-09)
The high concentration of macromolecules (i.e., macromolecular crowding) in cellular environments leads to large quantitative effects on the dynamic and equilibrium biological properties. These effects have been experimentally ...
Graphene Based Poly(Vinyl Alcohol) Nanocomposites Prepared by In Situ Green Reduction of Graphene Oxide by Ascorbic Acid: Influence of Graphene Content and Glycerol Plasticizer on Properties
(MDPI, 2018-12-06)
The enhanced properties of polymer nanocomposites as compared with pure polymers are only achieved in the presence of well-dispersed nanofillers and strong interfacial adhesion. In this study, we report the preparation of ...
PCL/POSS Nanocomposites: Effect of POSS Derivative and Preparation Method on Morphology and Properties
(MDPI, 2018-12-26)
The incorporation of polyhedral oligomeric silsesquioxanes (POSS) molecules as nanoparticles into polymers can provide improved physico-chemical properties. The enhancement depends on the extent of dispersion of the ...
Nucleation modalities in poly(lactide), poly(butylene succinate) and poly(ε-caprolactone) ternary blends with partial wetting morphology
(John Wiley & Sons, Inc., 2020-08-17)
Ternary biodegradable polymer blends of poly(lactic acid) (PLA), poly(butylene succinate) (PBS), and poly(ε‐caprolactone) (PCL) with the composition 45/10/45 wt% and exhibiting partial‐wetting morphology were prepared. In ...
Enantioselective Ring-Opening Polymerization of rac-Lactide Dictated by Densely Substituted Aminoacids
(ACS, 2017-03-08)
Organocatalysis is becoming an important tool in
polymer science because of its versatility and specificity. To date
a limited number of organic catalysts have demonstrated the
ability to promote stereocontrolled ...
Packaging materials with desired mechanical andbarrier properties and full chemical recyclability
(Nature, 2019-08-08)
Plastics have become indispensable in modern life and the material of choice in packaging applications, but they have also caused increasing plastic waste accumulation in oceans and landfills. Although there have been ...
Single-ion conducting poly(ethylene oxide carbonate) as solid polymer electrolyte for lithium batteries
(Wiley, 2019-09-25)
Single-ion conducting polymer electrolytes (SIPE) have attracted a lot of interest for application in high energy density lithium metal batteries. SIPEs possess lithium transport numbers close to unity, which does not ...