A. Orecchini
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View article: Probing Residual Water in G-Quadruplex Structures through Molecular Vibrations
Probing Residual Water in G-Quadruplex Structures through Molecular Vibrations Open
G-quadruplexes (GQs), noncanonical DNA structures involved in gene regulation and genome stability, exhibit a high structural polymorphism that is strongly modulated by their solvation environment. Here we employ a dual-spectroscopy approa…
View article: Hindered intermolecular stacking of anti-parallel telomeric G-quadruplexes
Hindered intermolecular stacking of anti-parallel telomeric G-quadruplexes Open
Telomeric G-quadruplexes (G4s) are non-canonical DNA structures composed of TTAGGG repeats. They are extensively studied both as biomolecules key for genome stability and as promising building blocks and functional elements in synthetic bi…
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: Stacking Interactions and Flexibility of Human Telomeric Multimers
Stacking Interactions and Flexibility of Human Telomeric Multimers Open
G-quadruplexes (G4s) are helical four-stranded structures forming from guanine-rich nucleic acid sequences, which are thought to play a role in cancer development and malignant transformation. Most current studies focus on G4 monomers, yet…
View article: Stabilization of the Dimeric State of SARS-CoV-2 Main Protease by GC376 and Nirmatrelvir
Stabilization of the Dimeric State of SARS-CoV-2 Main Protease by GC376 and Nirmatrelvir Open
The main protease (Mpro or 3CLpro) is an enzyme that is evolutionarily conserved among different genera of coronaviruses. As it is essential for processing and maturing viral polyproteins, Mpro has been identified as a promising target for…
View article: Polymorphism and Ligand Binding Modulate Fast Dynamics of Human Telomeric G-Quadruplexes
Polymorphism and Ligand Binding Modulate Fast Dynamics of Human Telomeric G-Quadruplexes Open
Telomeric G-quadruplexes (G4s) are promising targets in the design and development of anticancer drugs. Their actual topology depends on several factors, resulting in structural polymorphism. In this study, we investigate how the fast dyna…
View article: Impact of the Environment on the PNIPAM Dynamical Transition Probed by Elastic Neutron Scattering
Impact of the Environment on the PNIPAM Dynamical Transition Probed by Elastic Neutron Scattering Open
By means of elastic incoherent neutron scattering, we investigated how the addition of stabilizing cosolvents (glycerol and glucose) affects the dynamics of hydrated PNIPAM chains at the pico- and nanosecond time scale, where a low-tempera…
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: Connecting Structure, Conformation and Energetics of Human Telomere G-quadruplex Multimers
Connecting Structure, Conformation and Energetics of Human Telomere G-quadruplex Multimers Open
G-quadruplexes (G4s) are helical four-stranded structures forming from guanine-rich nucleic acid sequences, which are thought to play a role in cancer development and malignant transformation. Most current studies focus on G4 monomers, yet…
View article: Role of fast dynamics in the complexation of G-quadruplexes with small molecules
Role of fast dynamics in the complexation of G-quadruplexes with small molecules Open
Schematic representation of our energy landscape model to describe the fast dynamics of human telomeric G-quadruplex and its change upon ligand complexation.
View article: Solid wetting-layers in inorganic nano-reactors: the water in imogolite nanotube case
Solid wetting-layers in inorganic nano-reactors: the water in imogolite nanotube case Open
The discovery of an original structure of the water at the inner surface of inorganic aluminogermanate nanotubes and its specific dynamics are reported, based on density functional theory molecular dynamics and inelastic neutron scattering.
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: Hydration-dependent dynamics of human telomeric oligonucleotides investigated by inelastic neutron scattering
Hydration-dependent dynamics of human telomeric oligonucleotides investigated by inelastic neutron scattering Open
The functionality of biomolecules, such as DNA, is related not only to the structural but also to the dynamical properties. The activation of fast structural fluctuations on the pico- and nanosecond time windows enables slower conformation…
View article: A large-area double rotating-crystal monochromator for time-focusing neutron instruments
A large-area double rotating-crystal monochromator for time-focusing neutron instruments Open
We present the principle and the first prototypes of a double rotating-crystal monochromator, based on an assembly of smaller rotating elements. Such a device was developed as the key element to implement a parallel-beam modification of th…
View article: Collective Ion Dynamics in Liquid Zinc: Evidence for Complex Dynamics in a Non-Free-Electron Liquid Metal
Collective Ion Dynamics in Liquid Zinc: Evidence for Complex Dynamics in a Non-Free-Electron Liquid Metal Open
A detailed inelastic neutron scattering investigation of the THz dynamics of liquid zinc is presented. The observed Q dependence clearly reveals the existence of a complex dynamics made up of two distinct excitations. The highest energy mo…
View article: Translational diffusion of hydration water correlates with functional motions in folded and intrinsically disordered proteins
Translational diffusion of hydration water correlates with functional motions in folded and intrinsically disordered proteins Open
Hydration water is the natural matrix of biological macromolecules and is essential for their activity in cells. The coupling between water and protein dynamics has been intensively studied, yet it remains controversial. Here we combine pr…
View article: Progress towards Bell-type polarization experiment with thermal neutrons
Progress towards Bell-type polarization experiment with thermal neutrons Open
Experimental tests of Bell-type inequalities distinguishing between quantum\nmechanics and local realistic theories remain of considerable interest if\nperformed on massive particles, for which no conclusive result has yet been\nobtained. …
View article: Encapsulation of paclitaxel into a bio-nanocomposite. A study combining inelastic neutron scattering to thermal analysis and infrared spectroscopy
Encapsulation of paclitaxel into a bio-nanocomposite. A study combining inelastic neutron scattering to thermal analysis and infrared spectroscopy Open
The anticancer drug paclitaxel was encapsulated into a bio-nanocomposite formed by magnetic nanoparticles, chitosan and apatite. The aim of this drug carrier is to provide a new perspective against breast cancer. The dynamics of the pure a…