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View article: Thermoresponsive Copolymer Microgels Synthesized via Single‐Step Precipitation Polymerization: Random or Block Structure?
Thermoresponsive Copolymer Microgels Synthesized via Single‐Step Precipitation Polymerization: Random or Block Structure? Open
The inner structure of polymeric microgels critically influences their responsiveness and potential applications, yet remaining challenging to resolve at molecular resolution. In this work, a structural characterization of thermoresponsive…
View article: Hydration-induced dynamical changes in lyophilised and weakly hydrated apoferritin: insights from molecular dynamics simulation
Hydration-induced dynamical changes in lyophilised and weakly hydrated apoferritin: insights from molecular dynamics simulation Open
In this paper, mechanisms for hydration-induced protein mobility changes at high and low temperatures are proposed.
View article: Water slowing down drives the occurrence of the low temperature dynamical transition in microgels
Water slowing down drives the occurrence of the low temperature dynamical transition in microgels Open
The protein-like dynamical transition in microgels occurs at roughly the same temperature where water dynamics chages its dynamics from diffusive to activated.
View article: On the nature of the thermoresponsiveness of poly(2-isopropyl-2-oxazoline) in aqueous solution
On the nature of the thermoresponsiveness of poly(2-isopropyl-2-oxazoline) in aqueous solution Open
Poly(2-oxazoline)s (POAs) are a class of biocompatible polymers, that is gaining a prominent role in biomedical field due to its thermoresponsiveness at temperatures compatible with physiologically relevant ones. This work represents the f…
View article: Methacrylated Gellan gum hydrogel: a smart tool to face complex problems in the cleaning of paper materials
Methacrylated Gellan gum hydrogel: a smart tool to face complex problems in the cleaning of paper materials Open
Data presented in the article entitled Methacrylated Gellan gum hydrogel: a smart tool to face complex problems in the cleaning of paper materials
View article: Methacrylated gellan gum hydrogel: a smart tool to face complex problems in the cleaning of paper materials
Methacrylated gellan gum hydrogel: a smart tool to face complex problems in the cleaning of paper materials Open
One of the main challenges in the preservation of paper materials is the development of compatible and eco-friendly cleaning systems suitable for the wet removal of hydrophobic, aged compounds, such as greasy materials or synthetic adhesiv…
View article: Methacrylated Gellan gum hydrogel: a smart tool to face complex problems in the cleaning of paper materials
Methacrylated Gellan gum hydrogel: a smart tool to face complex problems in the cleaning of paper materials Open
Data presented in the article entitled Methacrylated Gellan gum hydrogel: a smart tool to face complex problems in the cleaning of paper materials
View article: Molecular origin of the two-step mechanism of gellan aggregation
Molecular origin of the two-step mechanism of gellan aggregation Open
Data presented in the article entitled Molecular origin of the two-step mechanism of gellan aggregation.
View article: Molecular origin of the two-step mechanism of gellan aggregation
Molecular origin of the two-step mechanism of gellan aggregation Open
Data presented in the article entitled Molecular origin of the two-step mechanism of gellan aggregation.
View article: Molecular origin of the two-step mechanism of gellan aggregation
Molecular origin of the two-step mechanism of gellan aggregation Open
Among hydrocolloids, gellan is one of the most studied polysaccharides due to its ability to form mechanically stable gels. Despite its long-standing use, the gellan aggregation mechanism is still not understood because of the lack of atom…
View article: Molecular origin of the two-step mechanism of gellan aggregation
Molecular origin of the two-step mechanism of gellan aggregation Open
Among hydrocolloids, gellan is one of the most used anionic polysaccharides, because of its capability of forming mechanically stable gels at relatively low concentrations. Despite its long-standing use and importance, the gellan aggregati…
View article: Modeling Solution Behavior of Poly(<i>N</i>-isopropylacrylamide): A Comparison between Water Models
Modeling Solution Behavior of Poly(<i>N</i>-isopropylacrylamide): A Comparison between Water Models Open
Water is known to play a fundamental role in determining the structure and functionality of macromolecules. The same crucial contribution is also found in the in silico description of polymer aqueous solutions. In this work, we exploit the…
View article: The role of polymer structure on water confinement in poly(N-isopropylacrylamide) dispersions
The role of polymer structure on water confinement in poly(N-isopropylacrylamide) dispersions Open
Poly(N-isopropylacrylamide) (PNIPAM) is a synthetic polymer that is widely studied for its thermoresponsive character. However, recent works also reported evidence of a low temperature (protein-like) dynamical transition around 225 K in co…
View article: Thermoresponsivity of Poly(N-isopropylacrylamide) microgels in water-trehalose mixture: an experimental and simulation study
Thermoresponsivity of Poly(N-isopropylacrylamide) microgels in water-trehalose mixture: an experimental and simulation study Open
In this work we use a multi-technique approach to gain new insights into the effects of trehalose on the volume phase transition of poly(N-isopropylacrylamide) (PNIPAM) microgels, a model synthetic biomimetic system. By dynamic light scatt…
View article: Molecular insights on poly(<i>N</i>-isopropylacrylamide) coil-to-globule transition induced by pressure
Molecular insights on poly(<i>N</i>-isopropylacrylamide) coil-to-globule transition induced by pressure Open
By using extensive all-atom molecular dynamics simulations of an atactic linear polymer chain, we unveil the role of pressure in the coil-to-globule transition of poly(N-isopropylacrylamide) (PNIPAM).
View article: Microgel Particles with Distinct Morphologies and Common Chemical Compositions: A Unified Description of the Responsivity to Temperature and Osmotic Stress
Microgel Particles with Distinct Morphologies and Common Chemical Compositions: A Unified Description of the Responsivity to Temperature and Osmotic Stress Open
Poly(N-isopropylacrylamide) (PNIPAM) hydrogel microparticles with different core–shell morphologies have been designed, while maintaining an unvaried chemical composition: a morphology with (i) an un-crosslinked core with a crosslinked she…
View article: Phase Change Ultrasound Contrast Agents with a Photopolymerized Diacetylene Shell
Phase Change Ultrasound Contrast Agents with a Photopolymerized Diacetylene Shell Open
Phase change contrast agents for ultrasound (US) imaging consist of nanodroplets (NDs) with a perfluorocarbon (PFC) liquid core stabilized with a lipid or a polymer shell. Liquid ↔ gas transition, occurring in the core, can be triggered by…
View article: Water–Polymer Coupling Induces a Dynamical Transition in Microgels
Water–Polymer Coupling Induces a Dynamical Transition in Microgels Open
The long debated protein dynamical transition was recently found also in nonbiological macromolecules, such as poly- N-isopropylacrylamide (PNIPAM) microgels. Here, by using atomistic molecular dynamics simulations, we report a description…
View article: On the molecular origin of the cooperative coil-to-globule transition of poly(<i>N</i>-isopropylacrylamide) in water
On the molecular origin of the cooperative coil-to-globule transition of poly(<i>N</i>-isopropylacrylamide) in water Open
The cooperativity of PNIPAM coil-to-globule transition in water arises from the structuring of solvent in proximity to hydrophobic groups.
View article: Tacticity-Dependent Interchain Interactions of Poly(N-Isopropylacrylamide) in Water: Toward the Molecular Dynamics Simulation of a Thermoresponsive Microgel
Tacticity-Dependent Interchain Interactions of Poly(N-Isopropylacrylamide) in Water: Toward the Molecular Dynamics Simulation of a Thermoresponsive Microgel Open
The discovery that the lower critical solution temperature (LCST) of poly(N-Isopropylacrylamide) (PNIPAM) in water is affected by the tacticity opens the perspective to tune the volume phase transition temperature of PNIPAM microgels by ch…