Search Results - "Tavagnacco, Letizia"
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Water–Polymer Coupling Induces a Dynamical Transition in Microgels
Published in The journal of physical chemistry letters (21-02-2019)“…The long debated protein dynamical transition was recently found also in nonbiological macromolecules, such as poly-N-isopropylacrylamide (PNIPAM) microgels…”
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2
Stacking and Branching in Self-Aggregation of Caffeine in Aqueous Solution: From the Supramolecular to Atomic Scale Clustering
Published in The journal of physical chemistry. B (22-09-2016)“…The dynamical and structural properties of caffeine solutions at the solubility limit have been investigated as a function of temperature by means of MD…”
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3
Crowding and conformation interplay on human DNA G-quadruplex by ultraviolet resonant Raman scattering
Published in Physical chemistry chemical physics : PCCP (23-01-2019)“…The G-quadruplex-forming telomeric sequence (TTAGGG)4TT was investigated by polarized Ultraviolet Resonance Raman Scattering (UVRR) at 266 nm. The presence of…”
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4
The role of polymer structure on water confinement in poly(N-isopropylacrylamide) dispersions
Published in Journal of molecular liquids (01-06-2022)“…•PNIPAM linear chains and microgels were compared on the efficiency to confine water.•Water-PNIPAM interactions were investigated by Differential Scanning…”
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5
Caffeine and Sugars Interact in Aqueous Solutions: A Simulation and NMR Study
Published in The journal of physical chemistry. B (27-09-2012)“…Molecular dynamics simulations were carried out on several systems of caffeine interacting with simple sugars. These included a single caffeine molecule in a 3…”
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6
Sugar-binding sites on the surface of the carbohydrate-binding module of CBH I from Trichoderma reesei
Published in Carbohydrate research (01-05-2011)“…Molecular dynamics simulations were carried out for a system consisting of the carbohydrate-binding module (CBM) of the cellulase CBH I from Trichoderma reesei…”
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7
Weakly hydrated surfaces and the binding interactions of small biological solutes
Published in European biophysics journal (01-04-2012)“…Extended planar hydrophobic surfaces, such as are found in the side chains of the amino acids histidine, phenylalanine, tyrosine, and tryptophan, exhibit an…”
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8
Modeling Solution Behavior of Poly(N‑isopropylacrylamide): A Comparison between Water Models
Published in The journal of physical chemistry. B (26-05-2022)“…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…”
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9
Interaction of Caffeine with Model Lipid Membranes
Published in The journal of physical chemistry. B (16-09-2021)“…Caffeine is not only a widely consumed active stimulant, but it is also a model molecule commonly used in pharmaceutical sciences. In this work, by performing…”
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10
Molecular description of the coil-to-globule transition of Poly(N-isopropylacrylamide) in water/ethanol mixture at low alcohol concentration
Published in Journal of molecular liquids (01-01-2020)“…Poly (N-isopropylacrylamide), PNIPAM, is a widely studied polymer, which serves as a key constituent of nanostructured soft materials with responsive…”
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11
Two-step deswelling in the Volume Phase Transition of thermoresponsive microgels
Published in Proceedings of the National Academy of Sciences - PNAS (14-09-2021)“…Thermoresponsive microgels are one of the most investigated types of soft colloids, thanks to their ability to undergo a Volume Phase Transition (VPT) close to…”
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12
Water slowing down drives the occurrence of the low temperature dynamical transition in microgels
Published in Chemical science (Cambridge) (19-06-2024)“…The protein dynamical transition marks an increase in atomic mobility and the onset of anharmonic motions at a critical temperature ( T d ), which is…”
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13
Thermoresponsivity of poly(N-isopropylacrylamide) microgels in water-trehalose solution and its relation to protein behavior
Published in Journal of colloid and interface science (15-12-2021)“…[Display omitted] Additives are commonly used to tune macromolecular conformational transitions. Among additives, trehalose is an excellent bioprotectant and…”
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14
Methacrylated gellan gum hydrogel: a smart tool to face complex problems in the cleaning of paper materials
Published in Cellulose (London) (01-11-2023)“…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…”
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15
Impact of the Environment on the PNIPAM Dynamical Transition Probed by Elastic Neutron Scattering
Published in Macromolecules (14-06-2022)“…By means of elastic incoherent neutron scattering, we investigated how the addition of stabilizing cosolvents (glycerol and glucose) affects the dynamics of…”
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16
Evidence of a low-temperature dynamical transition in concentrated microgels
Published in Science advances (01-09-2018)“…A low-temperature dynamical transition has been reported in several proteins. We provide the first observation of a "protein-like" dynamical transition in…”
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17
Molecular Dynamics Simulation Studies of Caffeine Aggregation in Aqueous Solution
Published in The journal of physical chemistry. B (22-09-2011)“…Molecular dynamics simulations were carried out on a system of eight independent caffeine molecules in a periodic box of water at 300 K, representing a…”
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18
Molecular Dynamics and Neutron Scattering Studies of Potassium Chloride in Aqueous Solution
Published in The journal of physical chemistry. B (19-12-2019)“…Neutron diffraction with isotopic substitution (NDIS) experiments were done on both natural abundance potassium and isotopically labeled 41KCl heavy water…”
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19
Molecular Dynamics and Neutron Scattering Studies of Mixed Solutions of Caffeine and Pyridine in Water
Published in The journal of physical chemistry. B (31-05-2018)“…Insight into the molecular interactions of homotactic and heterotactic association of caffeine and pyridine in aqueous solution is given on the basis of both…”
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20
Molecular origin of the two-step mechanism of gellan aggregation
Published in Science advances (10-03-2023)“…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…”
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