Search results for "Dynamic"

Liquid structure of a choline chloride-water natural deep eutectic solvent: A molecular dynamics characterization

2021

The liquid structure of a representative of the first water-in-salt (WiS) Natural Deep Eutectic Solvents (NADES), hereinafter indicated as aquoline, a mixture of choline chloride (ChCl) and water with molar ratio 1:3.33, is ex- plored at ambient conditions. Using Molecular Dynamics (MD) simulation tools, we extract structural informa- tion at atomistic level on the nature of inter-correlations between the different moieties. Despite being a very fluid liquid, with much lower viscosity than other common ChCl-based DES, aquoline turns out to be very struc- tured. Computed X-ray and neutron weighted scattering patterns (the latter also on selectively deuterated mix- tures) highlight the existe…

Structural Features of β-Cyclodextrin Solvation in the Deep Eutectic Solvent, Reline

2020

The inherently amphiphilic nature of native cyclodextrins (CDs) determines their peculiar molecular encapsulation features, enabling applications such as targeted drug nanodelivery, aroma protection, etc. On the contrary, it may also lead to poor solubility in water and other organic solvents and to potentially detrimental flocking in these media, thus posing limitations to more extensive usage. Here we use small angle X-ray scattering to show that deep eutectic solvent reline (1:2 choline chloride:urea) succeeds in dissolving large amounts of beta-CD (at least 800 mg/mL, compared with the solubility in water of 18 mg/mL), without aggregation phenomena occurring. At the microscopic level, m…

THE PHYSICAL ORIGIN OF PROTEIN DYNAMICAL TRANSITION: A LIQUID-LIQUID TRANSITION IN HYDRATION WATER?

2015

In this thesis I study, by means of neutron scattering, calorimetry, and dielectric spectroscopy, the physical origin of protein dynamical transition (PDT) which is usually observed at ~230 K in protein hydrated powders and is deemed necessary for protein function. Measurements reported in this thesis have been performed on hydrated powders of Myoglobin. The combined use of different experimental techniques gives a coherent description of the PDT and reveals a connection with a liquid-liquid crossover occurring in the protein hydration water at about the same temperature. In order to deepen our understanding of this connection and to obtain a direct experimental evidence of the existence of…

Combined dynamics of the 500–600 nm leaf absorption and chlorophyll fluorescence changes in vivo: Evidence for the multifunctional energy quenching r…

2021

Carotenoids (Cars) regulate the energy flow towards the reaction centres in a versatile way whereby the switch between energy harvesting and dissipation is strongly modulated by the operation of the xanthophyll cycles. However, the cascade of molecular mechanisms during the change from light harvesting to energy dissipation remains spectrally poorly understood. By characterizing the in vivo absorbance changes (Delta A) of leaves from four species in the 500-600 nm range through a Gaussian decomposition, while measuring passively simultaneous Chla fluorescence (F) changes, we present a direct observation of the quick antenna adjustments during a 3-min dark-to-high-light induction. Underlying…

Are there plenty of fish in the sea? How life history traits affect the eco-evolutionary consequences of population oscillations

2022

Understanding fish population oscillations is important for both fundamental population biology and for fisheries science. Much research has focused on the causes of population oscillations, but the eco-evolutionary consequences of population oscillations are unclear. Here, we used an empirically parametrised individual-based simulation model to explore the consequences of oscillations with different amplitudes and wavelengths. We show that oscillations with a wavelength shorter than the maximum lifespan of the fish produce marked differences in the evolutionary trajectories of asymptotic length. Wavelengths longer than the maximum lifespan of the fish, in turn, mainly manifest as ecologica…

Measurement of the spin-dependent structure function g1(x) of the deuteron

1993

We report on the first measurement of the spin-dependent structure function g1d of the deuteron in the deep inelastic scattering of polarised muons off polarised deuterons, in the kinematical range 0.006<x<0.6, 1 GeV2<Q2<30 GeV2. The first moment, Γ1d=sh{phonetic}01 g1d dx=0.023±0.020 (stat.) ± 0.015 (syst.), is smaller than the prediction of the Ellis-Jaffe sum rules. Using earlier measurements of g1p, we infer the first moment of the spin-dependent neutron structure function g1n. The difference Γ1p-Γ1n=0.20 ±0.05 (stat.) ± 0.04 (syst.) agrees with the prediction of the Bjorken sum rule, Γ1p-Γ1n=0.191 ±0.002.

Ultra-long-acting insulin degludec has consistently lower pharmacodynamic variability than insulin glargine over 24 h at steady state

2012

B‐DNA structure and stability: the role of nucleotide composition and order

2022

Abstract We have quantum chemically analyzed the influence of nucleotide composition and sequence (that is, order) on the stability of double‐stranded B‐DNA triplets in aqueous solution. To this end, we have investigated the structure and bonding of all 32 possible DNA duplexes with Watson–Crick base pairing, using dispersion‐corrected DFT at the BLYP‐D3(BJ)/TZ2P level and COSMO for simulating aqueous solvation. We find enhanced stabilities for duplexes possessing a higher GC base pair content. Our activation strain analyses unexpectedly identify the loss of stacking interactions within individual strands as a destabilizing factor in the duplex formation, in addition to the better‐known eff…

“She Offered Me a Place and a Future”: Change is an Event of Becoming Through Movement in Ethical Time and Space

2014

Published version of an article in the journal: Contemporary Family Therapy. Also available from the publisher at: http://dx.doi.org/10.1007/s10591-014-9317-3 Within mental health research, the promise of exploring the lived experience of those affected is increasingly acknowledged. This research points to the significance of social aspects. The present study is part of a series of qualitative studies exploring network-oriented practices in southern Norway. The aim of this study was to explore the social dynamics of change related to adolescents in psychosocial crises. From the perspective of lived experience the study focused changes related to the adolescents’ ways of existing in various …

Generalized heat equation and transitions between different heat-transport regimes in narrow stripes

2019

Abstract In the framework of weakly nonlocal thermodynamic theory, in this paper we derive a nonlocal and nonlinear heat-transport equation beyond the Fourier law by means of thermodynamic considerations in agreement with the second law. The obtained equation describes the transitions among different heat-transport regimes. The stability of the solution of that equation is also analyzed in a special case.