Search results for "dynamics."
showing 10 items of 9637 documents
Heavy enzymes and the rational redesign of protein catalysts
2019
Abstract An unsolved mystery in biology concerns the link between enzyme catalysis and protein motions. Comparison between isotopically labelled “heavy” dihydrofolate reductases and their natural‐abundance counterparts has suggested that the coupling of protein motions to the chemistry of the catalysed reaction is minimised in the case of hydride transfer. In alcohol dehydrogenases, unnatural, bulky substrates that induce additional electrostatic rearrangements of the active site enhance coupled motions. This finding could provide a new route to engineering enzymes with altered substrate specificity, because amino acid residues responsible for dynamic coupling with a given substrate present…
Variable Cooperative Interactions in the Pressure and Thermally Induced Multistep Spin Transition in a Two-Dimensional Iron(II) Coordination Polymer
2020
Two types of experiments conducted to investigate the effect of pressure on the spin crossover (SCO) properties of the 2D Fe(II) coordination polymer formulated {Fe[bipy(ttr)2]}n are reported, namely, (1) magnetic measurements performed at variable temperature and at fixed pressure and (2) visible spectroscopy at variable pressure and fixed temperature. The magnetic experiments carried out under a hydrostatic pressure constraint of 0.04, 0.08, and 0.8 GPa reveal a two-step spin transition behavior. The characteristic critical temperatures of the spin transition are shifted upward in temperature as pressure increases. The slope of the straight-line of the Tc vs P plot, dTc/dP, is 775 K/GPa a…
A Generalized Semiempirical Approach to the Modeling of the Optical Band Gap of Ternary Al-(Ga, Nb, Ta, W) Oxides Containing Different Alumina Polymo…
2021
A generalization of the modeling equation of optical band gap values for ternary oxides, as a function of cationic ratio composition, is carried out based on the semiempirical correlation between the differences in the electronegativity of oxygen and the average cationic electronegativity proposed some years ago. In this work, a novel approach is suggested to account for the differences in the band gap values of the different polymorphs of binary oxides as well as for ternary oxides existing in different crystalline structures. A preliminary test on the validity of the proposed modeling equations has been carried out by using the numerous experimental data pertaining to alumina and gallia p…
Determining Factors for the Unfolding Pathway of Peptides, Peptoids, and Peptidic Foldamers.
2016
We present a study of the mechanical unfolding pathway of five different oligomers (α-peptide, β-peptide, δ-aromatic-peptides, α/γ-peptides, and β-peptoids), adopting stable helix conformations. Using force-probe molecular dynamics, we identify the determining structural factors for the unfolding pathways and reveal the interplay between the hydrogen bond strength and the backbone rigidity in the stabilization of their helix conformations. On the basis of their behavior, we classify the oligomers in four groups and deduce a set of rules for the prediction of the unfolding pathways of small foldamers.
Quasi-geostrophic jet-like flow with obstructions
2021
International audience; Jet-like flows are ubiquitous in the atmosphere and oceans, and thus a thorough investigation of their behaviour in rotating systems is fundamental. Nevertheless, how they are affected by vegetation or, generally speaking, by obstructions is a crucial aspect which has been poorly investigated up to now. The aim of the present paper is to propose an analytical model developed for jet-like flows in the presence of both obstructions and the Coriolis force. In this investigation the jet-like flow is assumed homogeneous, turbulent and quasi-geostrophic, and with the same density as the surrounding fluid. Laws of momentum deficit, length scales, velocity scales and jet cen…
Surface sediment dynamics along the shore of Hammamet Gulf (Tunisia, southern Mediterranean)
2016
International audience; In the summer of 2015 the authors analysed grain size and surface sediment composition through high spatial resolution from samples taken at 53 stations along the Hammamet coast (southern Mediterranean Sea). The Acoustic Doppler Current Profiler deployed in this study showed that the surface current flows toward the north-east, parallel to the coast at a maximum speed along the main axis of about 5.9 cm s−1. Near the bottom the current flows toward the north-west at a maximum speed of 2.2 cm s−1. The tide plays a relatively small role in water circulation in Hammamet Gulf. Spatial distribution of particle size, along with speed and current direction analysis, furnish…
Flow resistance equation for rills
2017
In this paper, a new flow resistance equation for rill flow was deduced applying dimensional analysis and self‐similarity theory. At first, the incomplete self‐similarity hypothesis was used for establishing the flow velocity distribution whose integration gives the theoretical expression of the Darcy–Weisbach friction factor. Then the deduced theoretical resistance equation was tested by some measurements of flow velocity, water depth, cross section area, wetted perimeter, and bed slope carried out in 106 reaches of some rills shaped on an experimental plot. A relationship between the velocity profile, the channel slope, and the flow Froude number was also established. The analysis showed …
Hydrothermal pressure-temperature control on CO2 emissions and seismicity at Campi Flegrei (Italy)
2021
Fluids supplied by stored magma at depth are causal factors of volcanic unrest, as they can cause pressurization/heating of hydrothermal systems. However, evidence for links between hydrothermal pressurization, CO2 emission and volcano seismicity have remained elusive. Here, we use recent (2010−2020) observations at Campi Flegrei caldera (CFc) to show hydrothermal pressure, gas emission and seismicity at CFc share common source areas and well-matching temporal evolutions. We interpret the recent escalation in seismicity and surface gas emissions as caused by pressure-temperature increase at the top of a vertically elongated (0.3–2 km deep) gas front. Using mass (steam) balance consideration…
Vegetation vulnerability to drought in Spain
2014
[EN] Frequency of climatic extremes like long duration droughts has increased in Spain over the last century.The use of remote sensing observations for monitoring and detecting drought is justified on the basis that vegetation vigor is closely related to moisture condition. We derive satellite estimates of bio-physical variables such as fractional vegetation cover (FVC) from MODIS/EOS and SEVIRI/MSG time series. The study evaluates the strength of temporal relationships between precipitation and vegetation condition at time-lag and cumulative rainfall intervals. From this analysis, it was observed that the climatic disturbances affected both the growing season and the total amount of vegeta…
Turbulent jet through porous obstructions under Coriolis effect: an experimental investigation
2021
AbstractThe present study has the main purpose to experimentally investigate a turbulent momentum jet issued in a basin affected by rotation and in presence of porous obstructions. The experiments were carried out at the Coriolis Platform at LEGI Grenoble (FR). A large and unique set of velocity data was obtained by means of a Particle Image Velocimetry measurement technique while varying the rotation rate of the tank and the density of the canopy. The main differences in jet behavior in various flow configurations were assessed in terms of mean flow, turbulent kinetic energy and jet spreading. The jet trajectory was also detected. The results prove that obstructions with increasing density…