Search Results - "Tavanti, Francesco"
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Computational Insight on the Interaction of Common Blood Proteins with Gold Nanoparticles
Published in International journal of molecular sciences (13-08-2021)“…Protein interactions with engineered gold nanoparticles (AuNPs) and the consequent formation of the protein corona are very relevant and poorly understood…”
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Multiscale Molecular Dynamics Simulation of Multiple Protein Adsorption on Gold Nanoparticles
Published in International journal of molecular sciences (19-07-2019)“…A multiscale molecular dynamics simulation study has been carried out in order to provide in-depth information on the adsorption of hemoglobin, myoglobin, and…”
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Disclosing the Interaction of Gold Nanoparticles with Aβ(1-40) Monomers through Replica Exchange Molecular Dynamics Simulations
Published in International journal of molecular sciences (22-12-2020)“…Amyloid-β aggregation is one of the principal causes of amyloidogenic diseases that lead to the loss of neuronal cells and to cognitive impairments. The use of…”
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Insights into the Effect of Curcumin and (-)-Epigallocatechin-3-Gallate on the Aggregation of Aβ(1-40) Monomers by Means of Molecular Dynamics
Published in International journal of molecular sciences (30-07-2020)“…In this study, we compared the effects of two well-known natural compounds on the early step of the fibrillation process of amyloid-β (1-40), responsible for…”
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Computational Insight into the Effect of Natural Compounds on the Destabilization of Preformed Amyloid-β(1⁻40) Fibrils
Published in Molecules (Basel, Switzerland) (31-05-2018)“…One of the principal hallmarks of Alzheimer's disease (AD) is related to the aggregation of amyloid-β fibrils in an insoluble form in the brain, also known as…”
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Biogenic Synthesis and Characterization of Antioxidant and Antimicrobial Silver Nanoparticles Using Flower Extract of Couroupita guianensis Aubl
Published in Materials (13-11-2021)“…Aubl. is an important medicinal tree. This tree is rich in various phytochemicals, and is therefore used as a potent antioxidant and antibacterial agent. This…”
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Unraveling the complexity of amyloid polymorphism using gold nanoparticles and cryo-EM
Published in Proceedings of the National Academy of Sciences - PNAS (24-03-2020)“…Increasing evidence suggests that amyloid polymorphism gives rise to different strains of amyloids with distinct toxicities and pathologyspreading properties…”
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A multi-scale-multi-stable model for the rhodopsin photocycle
Published in Molecules (Basel, Switzerland) (18-09-2014)“…We report a multi-scale simulation study of the photocycle of the rhodopsins. The quasi-atomistic representation ("united atoms" UA) of retinal is combined…”
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Supercritical CO2 Confined in Palygorskite and Sepiolite Minerals: A Classical Molecular Dynamics Investigation
Published in Journal of physical chemistry. C (01-12-2016)“…We have investigated the ability of two modular phyllosilicates (palygorskite and sepiolite) to store CO2 molecules inside their structural channels by means…”
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Device‐to‐Materials Pathway for Electron Traps Detection in Amorphous GeSe‐Based Selectors
Published in Advanced electronic materials (01-04-2023)“…The choice of the ideal material employed in selector devices is a tough task both from the theoretical and experimental side, especially due to the lack of a…”
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The Effect of Alkaline Cations on the Intercalation of Carbon Dioxide in Sepiolite Minerals: A Molecular Dynamics Investigation
Published in Frontiers in materials (14-03-2018)“…The ability of the sepiolite mineral to intercalate CO2 molecules inside its channels in the presence of different alkaline cations (K+, Na+, and Li+) has been…”
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Concurring effect of doping and composition on the thermodynamic properties of amorphous GexSe1-x alloys
Published in Acta materialia (01-03-2024)“…Chalcogenide materials are attracting growing attention for their ability to switch between different electrical states in response to temperature or current…”
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Competitive Binding of Proteins to Gold Nanoparticles Disclosed by Molecular Dynamics Simulations
Published in Journal of physical chemistry. C (24-09-2015)“…This work reports the results of coarse-grained molecular dynamics simulations of citrate-coated gold nanoparticles (AuNPs) in interaction with insulin and…”
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Multi-technique Approach to Unravel the (Dis)order in Amorphous Materials
Published in ACS omega (12-07-2022)“…The concept of order in disordered materials is the key to controlling the mechanical, electrical, and chemical properties of amorphous compounds widely…”
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Hierarchical Short- and Medium-Range Order Structures in Amorphous GexSe1-x for Selectors Applications
Published 17-02-2021“…ACS Appl. Electron. Mater. 2020, 2, 2961-2969 In the upcoming process to overcome the limitations of the standard von Neumann architecture, synaptic…”
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BELLO: A post-processing tool for the local-order analysis of disordered systems
Published in Computational materials science (15-06-2022)“…The characterization of the atomic structure of disordered systems, such as amorphous, glasses and (bio)molecule in solution, is a fundamental step for most…”
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Computational Insight into the Interaction of Cytochrome C with Wet and PVP-Coated Ag Surfaces
Published in The journal of physical chemistry. B (19-10-2017)“…In this work, the adsorption of cytochrome C (CytC) on wet {100}, {111}, {110}, and {120} silver surfaces has been investigated by computational simulations…”
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Computational Insights into the Binding of Monolayer-Capped Gold Nanoparticles onto Amyloid‑β Fibrils
Published in ACS chemical neuroscience (07-10-2020)“…Amyloids-β (Aβ) fibrils are involved in several neurodegenerative diseases. In this study, atomistic molecular dynamics simulations have been used to…”
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Site-Selective Surface-Enhanced Raman Detection of Proteins
Published in ACS nano (24-01-2017)“…Strategies for protein detection via surface-enhanced Raman spectroscopy (SERS) currently exploit the formation of randomly generated hot spots at the…”
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An atomic-level look at the structure-property relationship of cerium-doped glasses using classical molecular dynamics
Published in Journal of non-crystalline solids (15-10-2018)“…Ce-containing bioactive glasses are of great interest in biomedical field since they exert antioxidant properties associated with low toxicity and a broad…”
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