Search results for "chemical reaction"
showing 10 items of 196 documents
Application of 252Cf plasma desorption mass spectrometry in dental research
1993
Abstract Topically applied fluorides introduced in dental hygiene products elevate the concentration levels of fluoride in oral fluids and thus also affect chemical reactions of enamel de- and remineralisation. The chemical reactions on the surface of tooth enamel still are a subject of controversy. Here 252 Cf-plasma desorption mass spectrometry and argon ion etching are used to analyse the molecular structure of the upper layes of enamel. The mass spectrum of untreated enamel is characterised by a series of cluster ions containing phosphate. It is evident that under certain conditions the molecular structure of the surface enamel is completely transformed by treatment with fluorides. The …
Trace elements in glucometabolic disorders: an update.
2010
International audience; Many trace elements, among which metals, are indispensable for proper functioning of a myriad of biochemical reactions, more particularly as enzyme cofactors. This is particularly true for the vast set of processes involved in regulation of glucose homeostasis, being it in glucose metabolism itself or in hormonal control, especially insulin. The role and importance of trace elements such as chromium, zinc, selenium, lithium and vanadium are much less evident and subjected to chronic debate. This review updates our actual knowledge concerning these five trace elements. A careful survey of the literature shows that while theoretical postulates from some key roles of th…
Subcellular fractionation of tissue culture cells.
2003
Cell fractionation techniques include some of the most important and widely used analytical tools in cell and molecular biology, and are essential for the development of cell-free assays that reconstitute complicated cellular processes. In addition to simple gradient systems, this unit discusses the immuno-purification of organelles, in particular endosomes. As antigens, purification can be achieved using endogenous or ectopically expressed proteins, provided that appropriate antibodies are available. Alternatively, tagged proteins can be used, when combined with anti-tag antibodies. Now that sequencing of the genomes of several organisms has been completed, biochemical strategies, and in p…
Electrochemical oxidation of organics in water: Role of operative parameters in the absence and in the presence of NaCl
2008
The electrochemical oxidation of organics in water was investigated theoretically and experimentally to determine the role of several operative parameters on the performances of the process in the presence and in the absence of sodium chloride. Theoretical considerations were used to design the experimental investigation and were confirmed by the results of the electrochemical oxidation of oxalic acid (OA) at boron doped diamond (BDD) or IrO(2)-Ta(2)O(5) (DSA-O(2)) anodes in a continuous batch recirculation reaction system equipped with a parallel plate undivided electrochemical cell. Polarization curves and chronoamperometric measurements indicated that, in the presence of chlorides, the a…
Applications of conduction calorimetry to the setting reaction of zinc phosphate dental cement
1999
The kinetics of the exothermic setting reaction of zinc phosphate dental cement can be successfully investigated by conduction calorimetry. The primary objective of this study is to examine the effects arising from the addition of various additives to the liquid and calcination of cement powder. The rate of heat evolution versus time shows the occurrence of merely one maximum. In the case of unmodified orthophosphoric acid a sharp peak occurs early after onset of mixing due to the formation of crystalline α-hopeite. Commercial cement liquids contain aluminum and zinc. From the calorimetric curves it has been found that these cations act as a setting retarders, and ensure sufficient working …
Development of a combined solver to model transport and chemical reactions in catalytic wall-flow filters
2017
Abstract In this work, we develop a non-isothermal model for diesel particulate filters including exothermic and competing chemical reactions. We begin with an isothermal, single-reaction model and we gradually increase its complexity. By comparing various models, we aim at establishing the minimum degree of complexity required to effectively model the system under investigation. Based on the numerical simulations, we conclude that isothermal models are adequate only if the temperature of the catalyst is, at all times, completely below or completely above a critical temperature. However, if the goal is to predict the critical temperature, only non-isothermal models should be used. The resul…
Quantum mechanical study of the high-temperature H+ + HD → D+ + H2 reaction for the primordial universe chemistry
2019
ABSTRACT We use the time-independent quantum-mechanical formulation of reactive collisions in order to investigate the state-to-state H+ + HD → D+ + H2 chemical reaction. We compute cross-sections for collision energies up to 1.8 eV and rate coefficients for temperatures up to 10 000 K. We consider HD in the lowest vibrational level v = 0 and rotational levels j = 0–6, and H2 in vibrational levels v′ = 0–3 and rotational levels j′ = 0–9. For temperatures below 4000 K, the rate coefficients strongly vary with the initial rotational level j, depending on whether the reaction is endothermic (j ≤ 2) or exothermic (j ≥ 3). The reaction is also found less and less probable as the final vibrationa…
On the nature of parr functions to predict the most reactive sites along organic polar reactions
2013
Abstract Very recently, local electrophilic and nucleophilic “Parr functions” were empirically introduced (L.R. Domingo, P. Perez, J.A. Saez RSC Adv. 3 (2013) 1486) in order to properly characterize the most reactive sites along polar chemical reactions. This Letter reports a theoretical advance to the new methodology by identifying these quantities with key Fukui descriptors of the spin-polarized density functional theory . Given such framework properly incorporates the treatment of both charge-transfer and spin-polarization, this finding provides a significant insight and substantial step forward within the field of a chemical reactivity theory based on the conceptual framework of density…
Substrate templating guides the photoinduced reaction of C60on calcite
2014
cited By 7; International audience; A substrate-guided photochemical reaction of C60 fullerenes on calcite, a bulk insulator, investigated by non-contact atomic force microscopy is presented. The success of the covalent linkage is evident from a shortening of the intermolecular distances, which is clearly expressed by the disappearance of the moiré pattern. Furthermore, UV/Vis spectroscopy and mass spectrometry measurements carried out on thick films demonstrate the ability of our setup for initiating the photoinduced reaction. The irradiation of C60 results in well-oriented covalently linked domains. The orientation of these domains is dictated by the lattice dimensions of the underlying c…
Computing Metal-Binding Proteins for Therapeutic Benefit
2021
Over one third of biomolecules rely on metal ions to exert their cellular functions. Metal ions can play a structural role by stabilizing the structure of biomolecules, a functional role by promoting a wide variety of biochemical reactions, and a regulatory role by acting as messengers upon binding to proteins regulating cellular metal-homeostasis. These diverse roles in biology ascribe critical implications to metal-binding proteins in the onset of many diseases. Hence, it is of utmost importance to exhaustively unlock the different mechanistic facets of metal-binding proteins and to harness this knowledge to rationally devise novel therapeutic strategies to prevent or cure pathological st…