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1.
Vision Res ; 205: 108188, 2023 04.
Article in English | MEDLINE | ID: mdl-36773370

ABSTRACT

Human observers tend to naturally track moving stimuli. This tendency may be exploited towards an intuitive means of screening visual function as an impairment induced reduction in stimulus visibility will decrease tracking performance. Yet, to be able to detect subtle impairments, stimulus contrast is critical. If too high, the decrease in performance may remain undetected. Therefore, for this approach to become reliable and sensitive, we need a detailed understanding of how age, stimulus contrast, and the type of stimulus movement affect continuous tracking performance. To do so, we evaluated how well twenty younger and twenty older participants tracked a semi-randomly moving stimulus (Goldmann size III, 0.43 degrees of visual angle), presented at five contrast levels (5%-10%-20%-40%-80%). The stimulus could move smoothly only (smooth pursuit mode) or in alternation with displacements (saccadic pursuit mode). Additionally, we assessed static foveal and peripheral contrast thresholds. For all participants, tracking performance improved with increasing contrast in both pursuit modes. To reach threshold performance levels, older participants required about twice as much contrast (20% vs. 10% and 40% vs. 20% in smooth and saccadic modes respectively). Saccadic pursuit detection thresholds correlated significantly with static peripheral contrast thresholds (rho = 0.64). Smooth pursuit detection thresholds were uncorrelated with static foveal contrast thresholds (rho = 0.29). We conclude that continuous visual stimulus tracking is strongly affected by stimulus contrast, pursuit mode, and age. This provides essential insights that can be applied towards new and intuitive approaches of screening visual function.


Subject(s)
Eye Movements , Saccades , Humans , Fovea Centralis , Psychomotor Performance , Pursuit, Smooth
2.
Sci Rep ; 12(1): 17333, 2022 Oct 15.
Article in English | MEDLINE | ID: mdl-36243735

ABSTRACT

High pressure is a proven effective tool for modulating inter-layer interactions in semiconducting transition metal dichalcogenides, which leads to significant band structure changes. Here, we present an extended infrared study of the pressure-induced semiconductor-to-metal transition in 2H-[Formula: see text], which reveals that the metallization process at 13-15 GPa is not associated with the indirect band-gap closure, occurring at 24 GPa. A coherent picture is drawn where n-type doping levels just below the conduction band minimum play a crucial role in the early metallization transition. Doping levels are also responsible for the asymmetric Fano line-shape of the [Formula: see text] infrared-active mode, which has been here detected and analyzed for the first time in a transition metal dichalcogenide compound. The pressure evolution of the phonon profile under pressure shows a symmetrization in the 13-15 GPa pressure range, which occurs simultaneously with the metallization and confirms the scenario proposed for the high pressure behaviour of 2H-[Formula: see text].

3.
J Chem Phys ; 154(24): 244503, 2021 Jun 28.
Article in English | MEDLINE | ID: mdl-34241357

ABSTRACT

A Compton spectroscopy investigation is carried out in hydrated Nafion membranes, enabling identification of distortions in the hydrogen-bond distribution of the polymer hydrating water by means of the subtle changes reflected by the Compton profiles. Indeed, deformations of the Compton profiles are observed when varying hydration, and two different bonding kinds are associated with the water molecules: at low hydration, water surrounds the sulfonic groups, while on increasing hydration, water molecules occupy the interstitial cavities formed upon swelling of the membrane. The analysis is proposed in terms of averaged OH bond length variation. A sizable contraction of the OH distance is observed at low hydration (∼0.09 Å), while at higher hydration levels, the contraction is smaller (∼0.02 Å) and the OH bond length is closer to bulk water. An evaluation of the electron kinetic energy indicates that the spatial changes associated with the water distribution correspond to a consistent binding energy increase. Distinct temperature dependences of each water population are observed, which can be straightly related to water desorption into ice on cooling below the freezing point.

4.
Phys Chem Chem Phys ; 22(20): 11583-11592, 2020 May 27.
Article in English | MEDLINE | ID: mdl-32400802

ABSTRACT

The human telomeric G-quadruplex structural motif of DNA has come to be known as a new and stimulating target for anticancer drug discovery. Small molecules that interact with G-quadruplex structures in a selective way have gained impressive interest in recent years as they may serve as potential therapeutic agents. Here, we show how circular dichroism, UV resonance Raman and small angle X-ray scattering spectroscopies can be effectively combined to provide insights into structural and molecular aspects of the interaction between human telomeric quadruplexes and ligands. This study focuses on the ability of berberine and palmatine to bind with human telomeric quadruplexes and provides analysis of the conformational landscape visited by the relevant complexes upon thermal unfolding. With increasing temperature, both free and bound G-quadruplexes undergo melting through a multi-state process, populating different intermediate states. Despite the structural similarity of the two ligands, valuable distinctive features characterising their interaction with the G-quadruplex emerged from our multi-technique approach.


Subject(s)
Berberine Alkaloids/metabolism , Berberine/metabolism , DNA/metabolism , G-Quadruplexes , Berberine/chemistry , Berberine Alkaloids/chemistry , Circular Dichroism , DNA/chemistry , DNA/genetics , Humans , Ligands , Scattering, Small Angle , Spectrum Analysis, Raman , X-Ray Diffraction
5.
Phys Rev Lett ; 124(18): 184801, 2020 May 08.
Article in English | MEDLINE | ID: mdl-32441964

ABSTRACT

An extreme ultraviolet pump and visible-light probe transmission experiment in crystalline LiF, carried out at the Free Electron Laser facility FERMI, revealed an oscillating time dependence of the plasmon mode excited in the high-density high-temperature electron plasma. The effect is interpreted as a fingerprint of the electron-ion interaction: the ion motion, shaped by the electron dynamic screening, induces, in turn, electron density fluctuations that cause the oscillation of the plasmon frequency at the timescale of the ion dynamics. Fitting the high resolution transmission data with an RPA model for the temperature-dependent dielectric function, which includes electron self-energy and electron-ion coupling, confirms the interpretation of the time modulation of the plasmon mode.

6.
Rev Sci Instrum ; 90(9): 095101, 2019 Sep.
Article in English | MEDLINE | ID: mdl-31575254

ABSTRACT

We present the concept of a novel time-focusing technique for neutron spectrometers, which allows us to disentangle time-focusing from beam divergence. The core of this approach is a double rotating-crystal monochromator that can be used to extract a larger wavelength band from a white beam, thus providing a higher flux at the sample compared to standard time-of-flight instruments, yet preserving energy resolution and beam collimation. The performances of a spectrometer based on this approach are quantitatively discussed in terms of possible incident wavelengths, flux at the sample, and (Q, E)-resolution. Analytical estimates suggest flux gains of about one order of magnitude at comparable resolutions in comparison to conventional time-of-flight spectrometers. Moreover, the double monochromator configuration natively shifts the sample away from the source line-of-sight, thus significantly improving the signal-to-noise ratio. The latter, in combination with a system that does not increase the beam divergence, brings the further advantage of a cleaner access to the low-Q region, which is recognized to be of fundamental interest for magnetism and for disordered materials, from glasses to biological systems.

7.
Rev Sci Instrum ; 88(5): 053905, 2017 May.
Article in English | MEDLINE | ID: mdl-28571465

ABSTRACT

To date, the BRISP spectrometer represents the state-of-the-art for every instrument aiming to perform Brillouin neutron scattering. Exploiting accurate ray-tracing McStas simulations, we investigate an improved configuration of the BRISP primary spectrometer to provide a higher flux at the sample position, while preserving all the present capabilities of the instrument. This configuration is based on a neutron guide system and is designed to fit the instrument platform with no modifications of the secondary spectrometer. These evaluations show that this setup can achieve a flux gain factor ranging from 3 to 6, depending on the wavelength. This can expand the experimental possibilities of BRISP towards smaller samples, possibly using also complex sample environments.

8.
Sci Rep ; 7: 43671, 2017 03 03.
Article in English | MEDLINE | ID: mdl-28255173

ABSTRACT

Below the melting temperature Tm, crystals are the stable phase of typical elemental or molecular systems. However, cooling down a liquid below Tm, crystallization is anything but inevitable. The liquid can be supercooled, eventually forming a glass below the glass transition temperature Tg. Despite their long lifetimes and the presence of strong barriers that produces an apparent stability, supercooled liquids and glasses remain intrinsically a metastable state and thermodynamically unstable towards the crystal. Here we investigated the isothermal crystallization kinetics of the prototypical strong glassformer GeO2 in the deep supercooled liquid at 1100 K, about half-way between Tm and Tg. The crystallization process has been observed through time-resolved neutron diffraction for about three days. Data show a continuous reorganization of the amorphous structure towards the alpha-quartz phase with the final material composed by crystalline domains plunged into a low-density, residual amorphous matrix. A quantitative analysis of the diffraction patterns allows determining the time evolution of the relative fractions of crystal and amorphous, that was interpreted through an empirical model for the crystallization kinetics. This approach provides a very good description of the experimental data and identifies a predator-prey-like mechanism between crystal and amorphous, where the density variation acts as a blocking barrier.

9.
J Chem Phys ; 143(1): 015102, 2015 Jul 07.
Article in English | MEDLINE | ID: mdl-26156493

ABSTRACT

The dynamics of the human oligonucleotide AG3(T2AG3)3 has been investigated by incoherent neutron scattering in the sub-nanosecond timescale. A hydration-dependent dynamical activation of thermal fluctuations in weakly hydrated samples was found, similar to that of protein powders. The amplitudes of such thermal fluctuations were evaluated in two different exchanged wave-vector ranges, so as to single out the different contributions from intra- and inter-nucleotide dynamics. The activation energy was calculated from the temperature-dependent characteristic times of the corresponding dynamical processes. The trends of both amplitudes and activation energies support a picture where oligonucleotides possess a larger conformational flexibility than long DNA sequences. This additional flexibility, which likely results from a significant relative chain-end contribution to the average chain dynamics, could be related to the strong structural polymorphism of the investigated oligonucleotides.

10.
Phys Rev Lett ; 114(18): 187801, 2015 May 08.
Article in English | MEDLINE | ID: mdl-26001017

ABSTRACT

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 mode is the prolongation of the longitudinal acoustic density fluctuations whereas the comparison with the phonon dynamics of crystalline hcp zinc suggests a transverse acousticlike nature for the second one. This mode seems related to peculiar anisotropic interactions, possibly connected to the behavior of the crystalline phase.

11.
J Phys Chem Lett ; 5(13): 2177-81, 2014 Jul 03.
Article in English | MEDLINE | ID: mdl-26279530

ABSTRACT

The terahertz dynamics of human cells of the U937 line and their chromatin has been investigated by high-resolution inelastic X-ray scattering. To highlight its dynamical features in situ, nuclear DNA has been stained by uranyl-acetate salt. The general behavior of the collective dynamics of the whole cell is quite similar to that of bulk water, with a nearly wavevector-independent branch located at about 5 meV and a propagating mode with a linear trend corresponding to a speed of sound of 2900 ± 100 m/s. We provide the first experimental evidence for the existence of two branches also in the dispersion curves of chromatin. The high-energy mode displays an acoustic-like behavior with a sound velocity similar to unstained cells, but in this case the branch likely originates from the superposition of intramolecular DNA optic modes. A low-energy optic-like branch, distinctive of the chromatin moiety, is found at about 2.5 meV.

12.
J Phys Chem Lett ; 4(7): 1143-7, 2013 Apr 04.
Article in English | MEDLINE | ID: mdl-26282034

ABSTRACT

A detailed investigation of the THz dynamics in glassy SiSe2 by means of neutron inelastic scattering is presented. To carefully map the translational dynamics and the region of the boson peak, we carried out two different experiments with sharp and broad resolutions coupled with a narrow and a wide kinematic range, respectively. Data show a complex pattern of excitations made up of three components. The most intense one is the prolongation of the longitudinal acoustic mode while two other modes appear in the boson peak region below 3 meV. We propose an interaction model that allows for a consistent identification of the nature of these modes.

13.
J Phys Condens Matter ; 24(6): 064105, 2012 Feb 15.
Article in English | MEDLINE | ID: mdl-22277348

ABSTRACT

The dynamics of water as subtly perturbed by both the interaction with biomolecules and the variation of temperature and pressure has been investigated via neutron scattering spectroscopy. A measurement of inelastic neutron scattering devoted to the study of the coherent THz dynamics of water in a water-rich mixture with DNA (hydration level of 1 g DNA/15 g D(2)O) at room temperature is reported. The DNA hydration water coherent dynamics is characterised by the presence of collective modes, whose dispersion relations are similar to those observed in bulk water. These dispersion relations are well described by the interaction model developed in the case of bulk water, and the existence of a fast sound is experimentally demonstrated. The behaviour of the collective water dynamics was complemented by studying the single-particle dynamics of bulk water along the isotherm T = 298 K in the pressure range 0.1-350 MPa by means of incoherent scattering. This experiment is an attempt to simulate the change of the water molecular arrangement due to the interaction with DNA, by increasing the pressure as the presence of the biomolecule produces an increase in the density. An anomaly is found in the behaviour of the relaxation time derived from the quasi-elastic scattering signal, which can be related to the hypothetical second critical point in water. This anomaly and the transition from slow to fast sound take place in the same Q range, thus suggesting that the two phenomena could be related at some microscopic level.


Subject(s)
DNA/chemistry , Deuterium Oxide/chemistry , Neutron Diffraction , Pressure , Static Electricity , Temperature , Thermodynamics
14.
J Phys Condens Matter ; 24(4): 045601, 2012 Feb 01.
Article in English | MEDLINE | ID: mdl-22214651

ABSTRACT

The pressure dependence of the Curie temperature T(C)(P) in La(0.75)Ca(0.25)MnO(3) was determined by neutron diffraction up to 8 GPa, and compared with the metallization temperature T(IM)(P) (Postorino et al 2003 Phys. Rev. Lett. 91 175501). The behavior of the two temperatures appears similar over the whole pressure range, suggesting a key role of magnetic double-exchange also in the pressure regime where the superexchange interaction is dominant. The coexistence of antiferromagnetic and ferromagnetic peaks at high pressure and low temperature indicates a phase separated regime which is well reproduced with a dynamical mean-field calculation for a simplified model. A new P-T phase diagram has been proposed on the basis of the whole set of experimental data.

15.
J Chem Phys ; 135(17): 174506, 2011 Nov 07.
Article in English | MEDLINE | ID: mdl-22070305

ABSTRACT

We report on the observation of a significant softening of the Boson peak (BP) frequency of vitreous GeO(2) above the glass transition temperature. The softening reminds a critical trend, with a transition temperature intermediate between the glass transition temperature, T(g), and the melting point. The softening of the BP frequency corresponds to a transition from a region dominated by Debye scaling to a non-Debye one. Below T(g) the density of vibrational states varies according to the modification of the elastic continuum medium. Above T(g) the relevant softening of the BP modes can be explained by a broadening of the distribution of elastic constants between neighboring atoms, induced by the structural rearrangement. These findings are discussed together with recent experimental and theoretical results on the low frequency vibrations in glasses.

16.
Minerva Stomatol ; 59(5): 271-83, 2010 May.
Article in English | MEDLINE | ID: mdl-20502435

ABSTRACT

In the last 15-20 years the association between periodontitis and cardiovascular diseases has received greater attention. Clinical evidence also suggests that periodontitis is associated with a systemic host response and with a low-grade inflammatory state, as assessed by raised serum levels of CRP and endothelial dysfunction. This is a perturbation of the normal function of the endothelial cells that are responsible for a normal vascular function (dilatation, constriction). The objective of this review was to systematically appraise the available evidence on the effect of periodontal therapy on systemic biomarkers related to cardiovascular risk. An electronic search was conducted using MEDLINE via PubMed to identify published literature. The electronic search identified 836 references, of which 643 were considered irrelevant for this review. Full texts of 183 possible relevant articles were assessed, with exclusion of 174. Nine studies were included in the review. The overall effect of periodontal therapy was associated with a reduction in CRP of 0.50 mg/ml (95% CI 0.15, 0.85) (P=0.005). In conclusion, this review supports the hypothesis of an association between periodontitis and systemic inflammation. Further research is needed on the possible impact of periodontitis on cardiovascular disease events.


Subject(s)
C-Reactive Protein/analysis , Cardiovascular Diseases/blood , Periodontitis/blood , Periodontitis/therapy , Biomarkers/blood , Cardiovascular Diseases/etiology , Humans , Periodontitis/complications , Risk Factors
17.
J Phys Chem B ; 113(30): 10121-7, 2009 Jul 30.
Article in English | MEDLINE | ID: mdl-19719280

ABSTRACT

The propagation of acoustic waves in water-hydrated Nafion membrane has been monitored using heterodyne-detected transient grating spectroscopy. At room temperature, upon increasing the water content, the speed of sound drops to a value lower than the respective velocities of sound in pure Nafion and pure water. This counterintuitive effect can be explained by a simple calculation of the sound velocity in an effective medium made of water and Nafion polymer. Upon cooling, a phase separation occurs in the sample, and the formation of ice is observed (M. Pineri et al. J. Power Sources 2007, 172, 587-596). This phase transition is characterized via a second acoustic wave observed in the signal. Sound propagation and X-ray diffraction confirm the formation of crystalline ice on the membrane surface, that reversibly melts upon heating. The amount of ice that forms in the sample is monitored as a function of temperature and represents an order parameter for the transition. This parameter follows a power law with an exponent of 0.5, indicating the critical nature of the observed process.

18.
J R Soc Interface ; 6 Suppl 5: S635-40, 2009 Oct 06.
Article in English | MEDLINE | ID: mdl-19640876

ABSTRACT

The spectral behaviour of a protein and its hydration water has been investigated through neutron scattering. The availability of both hydrogenated and perdeuterated samples of maltose-binding protein (MBP) allowed us to directly measure with great accuracy the signal from the protein and the hydration water alone. Both the spectra of the MBP and its hydration water show two distinct relaxations, a behaviour that is reminiscent of glassy systems. The two components have been described using a phenomenological model that includes two Cole-Davidson functions. In MBP and its hydration water, the two relaxations take place with similar average characteristic times of approximately 10 and 0.2 ps. The common time scales of these relaxations suggest that they may be a preferential route to couple the dynamics of the water hydrogen-bond network around the protein surface with that of protein fluctuations.


Subject(s)
Carrier Proteins/chemistry , Carrier Proteins/ultrastructure , Neutron Diffraction/methods , Water/chemistry , Binding Sites , Kinetics , Maltose-Binding Proteins , Multiprotein Complexes/chemistry , Multiprotein Complexes/ultrastructure , Protein Binding , Surface Properties
19.
Phys Rev Lett ; 101(14): 148104, 2008 Oct 03.
Article in English | MEDLINE | ID: mdl-18851580

ABSTRACT

The low-frequency modes of protein hydration water are investigated by inelastic neutron scattering. Experiments on both protonated and fully deuterated maltose binding protein samples allow us to unambiguously single out the contribution from water. The low-energy vibrational density of states of hydration water at 100 K is similar to the density of states of high- and low-density amorphous ice, and quite different from that of simple forms of crystalline ice. This result can be related to the picture of hydration water mass density depending on the protein surface curvature, which supports its glassy behavior.


Subject(s)
Carrier Proteins/chemistry , Water/chemistry , Ice , Maltose-Binding Proteins , Neutron Diffraction/methods , Spectrum Analysis/methods
20.
J Chem Phys ; 128(18): 184502, 2008 May 14.
Article in English | MEDLINE | ID: mdl-18532821

ABSTRACT

By applying a new two-step line-shape analysis to inelastic neutron and x-ray scattering spectra of glassy systems, we were able to resolve the acoustic excitations from the low-frequency excess modes and to accurately estimate the damping of sound waves in the terahertz frequency range. Using this approach, we estimated the damping parameter for terahertz acoustic waves in a wide class of chemically different glasses and did a quantitative comparison of the results with prediction of theoretical models. By comparing the estimates of the mean-free path of the acoustic modes in different glasses and the corresponding boson peak strengths, we show the existence of a simple correlation between these two quantities. The relationship between attenuation of the terahertz acoustic modes, strength of the boson peak, and fragility is discussed.

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