Search results for "kinetics"
showing 10 items of 2224 documents
Importance of the liquid to solid weight ratio in the powdered solid-liquid reactions Example drawn from cement constituent hydration
1997
Abstract It seems justified to wonder if the chemical processes which have been evidenced from diluted stirred suspensions are or are not in accordance with those involved in a stagnant paste. The present paper is aimed at clarifying this question which is in connection with the problem of the so called ‘dormant period’ or ‘induction period’ at the beginning of the hydration of Portland cement.
Hydration of cementitious materials, present and future
2011
This paper is a keynote presentation from the 13th International Congress on the Chemistry of Cement. It discusses the underlying principles of hydration and recent evidence for the mechanisms governing this process in both Portland cements and other cementitious materials. Given the overriding imperative to improve the sustainability of cementitious materials, routes to reducing CO2 emissions are discussed and the impact of supplementary materials on hydration considered. (C) 2011 Elsevier Ltd. All rights reserved.
The isolated perfused rat brain as a model for studying drugs acting on the CNS
1974
An isolated perfused brain preparation is regarded as offering some important advantages over intact animals or tissue slices for studying drug effects on the CNS. The rat is by far the most suitable laboratory animal for this technique because of low cost, ease of preparation and extensive literature available for comparative purposes. In this paper various preparation techniques and perfusion systems for an isolated rat brain are reported. Investigations are presented proving the viability of the isolated perfused rat brain for more than seven hours and its suitability for studies on cerebral metabolism. Until now this preparation has been successfully used for pharmacological investigati…
Assessment of Postharvest Dehydration Kinetics and Skin Mechanical Properties of “Muscat of Alexandria” Grapes by Response Surface Methodology
2016
The dipping of berries in a dilute solution of sodium hydroxide during a short time was evaluated as pretreatment undertaken prior to convective dehydration of wine grapes. The impact of the sodium hydroxide content and dipping time on weight loss (WL) at different dehydration times was thoroughly assessed using central composite design (CCD) and response surface methodology (RSM). Furthermore, the effects of these two variables were also investigated on the skin mechanical properties of dehydrated grapes. The effect of these two pretreatment factors on the dehydration kinetics and skin hardness was satisfactorily fitted to regression models. The berry pretreatment with low sodium hydroxide…
Distinctive features of diffusion-controlled radiation defect recombination in stoichiometric magnesium aluminate spinel single crystals and transpar…
2020
This work has been performed within the framework of the EUROfusion Enabling Research project: ENR-MFE19.ISSP-UL-02 “Advanced experimental and theoretical analysis of defect evolution and structural disordering in optical and dielectric materials for fusion application”. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Research of A.L, E.F.,, V.S and E.S has been partly supported by the Estonian Research Council grant (PUT PRG619); has been also 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 …
Comparative computational analysis of different active site conformations and substrates in a chalcone isomerase catalyzed reaction.
2006
Chalcone isomerase catalyzes the transformation of chalcones to flavanones. We present a computational study of the rate-limiting chemical step, an intramolecular Michael addition of a 2'-oxyanion to the alpha,beta-double bound. By using quantum mechanical/molecular mechanical hybrid methods we traced the free-energy profiles associated with the reaction of two different substrates (chalcone and 6'-deoxychalcone) in two different conformations of the active site that are described in the different crystallographic structures available. We have obtained significant differences (about 4 kcal/mol) in the free-energy barriers calculated for the two active sites. According to our results, the ac…
Enzymatic effects on reactant and transition states. The case of chalcone isomerase.
2007
Chalcone isomerase catalyzes the transformation of chalcone to naringerin as a part of flavonoid biosynthetic pathways. The global reaction takes place through a conformational change of the substrate followed by chemical reaction, being thus an excellent example to analyze current theories about enzyme catalysis. We here present a detailed theoretical study of the enzymatic action on the conformational pre-equilibria and on the chemical steps for two different substrates of this enzyme. Free-energy profiles are obtained in terms of potentials of mean force using hybrid quantum mechanics/molecular mechanics potentials. The role of the enzyme becomes clear when compared to the counterpart eq…
Effect of EDTA and citrate on the functional activity of the first component of complement, C1, and the C1q subcomponent.
1985
The first component of complement, C1, is a calcium-dependent complex of the three distinct subcomponents, C1q, C1r, and C1s. Earlier observations revealed that treatment of C1 with EDTA led to a loss of hemolytic C1 activity even after recalcification. Therefore, it was of interest to study whether EDTA has an additional effect on C1 and its subcomponents, beside its chelating capacity. The chelating effect of EDTA was compared to that of citrate. It was found that treatment of C1 or C1 with EDTA followed by addition of Ca++ led to a loss of hemolytic activity up to 90%, depending on EDTA concentration. Even pretreatment of EDTA with varying amounts of Ca++ did not prevent the inactivation…
Sorption behavior of volatile phenols at the oak wood/wine interface in a model system.
2006
The sorption in a model system of aroma compounds of enological interest (mixture of the eight derivatives from guaiacol, 4-ethylphenol, and whiskylactone) onto wood was investigated to assess the influence of wood on the concentration of these volatiles during the aging of wine. To evaluate the influence of the solubility of aroma compounds in sorption phenomena, this parameter was determined for each volatile compound in model wine at 10 and 25 degrees C. The solubility is significantly higher in the model wine than in water and remains constant in the range of temperatures studied, except for guaiacol and vanillin. Kinetic and equilibrium sorptions were investigated. Sorption kinetics sh…
Dynamic Self-Consistent Field Approach for Studying Kinetic Processes in Multiblock Copolymer Melts
2020
The self-consistent field theory is a popular and highly successful theoretical framework for studying equilibrium (co)polymer systems at the mesoscopic level. Dynamic density functionals allow one to use this framework for studying dynamical processes in the diffusive, non-inertial regime. The central quantity in these approaches is the mobility function, which describes the effect of chain connectivity on the nonlocal response of monomers to thermodynamic driving fields. In a recent study [Mantha et al, Macromolecules 53, 3409 (2020)], we have developed a method to systematically construct mobility functions from reference fine-grained simulations. Here we focus on melts of linear chains …