Search results for " kinetic"
showing 10 items of 416 documents
Peculiarities of the diffusion-controlled radiation defect accumulation kinetics under high fluencies
2020
We are grateful to A. Lushchik and E. Shablonin for numerous and valuable discussions. This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 and 2019-2020 under grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. The raw/processed data required to reproduce these findings cannot be shared at this time as the data also forms part of an ongoing study.
Origin of Enzymatic Kinetic Isotope Effects in Human Purine Nucleoside Phosphorylase
2017
Here we report a study of the effect of heavy isotope labeling on the reaction catalyzed by human purine nucleoside phosphorylase (hPNP) to elucidate the origin of its catalytic effect and of the enzymatic kinetic isotope effect (EKIE). Using quantum mechanical and molecular mechanical (QM/MM) molecular dynamics (MD) simulations, we study the mechanism of the hPNP enzyme and the dynamic effects by means of the calculation of the recrossing transmission coefficient. A free energy surface (FES), as a function of both a chemical and an environmental coordinate, is obtained to show the role of the environment on the chemical reaction. Analysis of reactive and nonreactive trajectories allows us …
Elucidating the Influence of the Activation Energy on Reaction Rates by Simulations Based on a Simple Particle Model
2020
An application for visualizing the dynamic properties of an equimolar binary mixture of isotropic reactive particles is presented. By introducing a user selectable choice for the activation energy, the application is useful to demonstrate qualitatively that the reaction rate depends on the above choice and on temperature. The application is based on a 2D realistic dynamic model where atoms move because of their thermal energies and the trajectories are determined by solving numerically Newton’s laws according to a Molecular Dynamics (MD) scheme. Collisions are monitored as time progresses, and every time the collision energy is larger than the selected activation energy, a reactive event oc…
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…
Raindrop size distribution and terminal velocity for rainfall erosivity studies. A review
2019
Abstract The knowledge of the rainfall drop size distribution (DSD) at the land surface is essential for understanding precipitation mechanisms affecting soil erosion processes. Rainfall erosivity is defined as the potential of rain to cause erosion and it can be evaluated by rainfall kinetic power, which is determined by DSD and raindrop terminal velocity. This paper firstly deals with the raindrop terminal velocity estimate. Then the most widely used DSD are reviewed highlighting the difference between the raindrop size distribution per unit volume of air and that per unit area and time. The reliability of the available kinetic power-rainfall intensity relationships and their application …
Combination of the OSA process with thermal treatment at moderate temperature for excess sludge minimization
2019
Abstract This study investigated the chance to couple the conventional Oxic Settling Anaerobic (OSA) process with a thermic treatment at moderate temperature (35 °C). The maximum excess sludge reduction rate (80%) was achieved when the plant was operated under 3 h of hydraulic retention time (HRT). Compared with the conventional OSA system, the thermic treatment enabled a further improvement in excess sludge minimization of 35%. The observed yield coefficient decreased from 0.25 gTSS gCOD−1 to 0.10 gTSS gCOD−1 when the temperature in the anaerobic reactor was increased to 35 °C, despite the lower HRT (3 h vs 6 h). Moreover, the thermic treatment enabled the decrease of filamentous bacteria,…
The effect of abrasive pretreatment on the drying kinetics and phenolic compounds in goji berries ( Lycium barbarum L.)
2020
The paper investigated the effect of a physical surface abrasion of goji berries on drying kinetics and the evolution of phenolic compounds at 323, 333, and 343 K. A diffusion model was developed to describe the drying process. The effective diffusion coefficient estimated by the model ranged from 7.5 × 10–9 to 4.2 × 10–8 m2/s for cylinder and 2.0 × 10–9 to 1.15 × 10–8 m2/s for sphere for untreated samples (UTR). Higher values were found for treated samples (TR) (from 2.50 × 10–8 to 1.20 × 10–7 m2/s for cylinder and 8.0 × 10–9 to 2.70 × 10–8 m2/s for sphere). For the UTR samples, the values of activation energy were found to be 79.5 and 80.8 kJ/mol, respectively, in the cylinder and sphere …
Use of chlorophyll fluorescence induction kinetics to study translocation and detoxication of DCMU-type herbicides in plant leaves
1984
Transient levels of the fluorescence induction rise were used to quantify partial photosynthesis inhibition by DCMU -type herbicides in whole leaves. Assays in different crop or weed species showed a good accuracy in measurements (generally, variation was lower than 5%). This technique was applied to the problem of varietal selectivity of wheat towards chlortoluron.
Linking the Kinetic Energy Fraction and Equivalent Length Method for Trickle Irrigation Design under Local Losses
2020
New methods using analytical relationships to design drip irrigation laterals and subunits have been introduced in recent years based on the assumption that minor losses can be neglected. This assumption could be relaxed by applying the equivalent method, which makes it possible to account for minor losses, such as those caused by emitter connections, through formulas based on the rationale that an equivalent length of the drip lateral produces the same losses. However, equivalent length formulas are empirical; thus, they do not necessarily cover the entire range of conditions in the real-world contexts in which the formulas will be applied, and their extrapolation could lead to erroneous r…
Epimagnolin A, a tetrahydrofurofuranoid lignan from Magnolia fargesii, reverses ABCB1-mediated drug resistance.
2018
Abstract Background Epimagnolin A is an ingredient of the Chinese crude drug Shin-i, derived from the dried flower buds of Magnolia fargesii and Magnolia flos, which has been traditionally used for the treatment of allergic rhinitis and nasal congestion, empyema, and sinusitis. The pharmacokinetic activity of epimagnolin A remains to be evaluated. Purpose In this study, we examined the possible interactions of epimagnolin A with human ATP-binding cassette (ABC) transporter ABCB1, a membrane protein vital in regulating the pharmacokinetics of drugs and xenobiotics. Study design/methods The interaction of epimagnolin A with ABCB1 was evaluated in calcein, ATPase, and MTT assays by using Flp-I…