Search results for "Chemical reaction"
showing 10 items of 196 documents
Theoretical insights in enzyme catalysis
2004
In this tutorial review we show how the methods and techniques of computational chemistry have been applied to the understanding of the physical basis of the rate enhancement of chemical reactions by enzymes. This is to answer the question: Why is the activation free energy in enzyme catalysed reactions smaller than the activation free energy observed in solution? Two important points of view are presented: Transition State (TS) theories and Michaelis Complex (MC) theories. After reviewing some of the most popular computational methods employed, we analyse two particular enzymatic reactions: the conversion of chorismate to prephenate catalysed by Bacillus subtilis chorismate mutase, and a m…
2016
Abstract. Gaseous formaldehyde (HCHO) is an important precursor of OH radicals and a key intermediate molecule in the oxidation of atmospheric volatile organic compounds (VOCs). Budget analyses reveal large discrepancies between modeled and observed HCHO concentrations in the atmosphere. Here, we investigate the interactions of gaseous HCHO with soil surfaces through coated-wall flow tube experiments applying atmospherically relevant HCHO concentrations of ∼ 10 to 40 ppbv. For the determination of uptake coefficients (γ), we provide a Matlab code to account for the diffusion correction under laminar flow conditions. Under dry conditions (relative humidity = 0 %), an initial γ of (1.1 ± …
Presenilin is the molecular target of acidic γ-secretase modulators in living cells.
2012
The intramembrane-cleaving protease γ-secretase catalyzes the last step in the generation of toxic amyloid-β (Aβ) peptides and is a principal therapeutic target in Alzheimer's disease. Both preclinical and clinical studies have demonstrated that inhibition of γ-secretase is associated with prohibitive side effects due to suppression of Notch processing and signaling. Potentially safer are γ-secretase modulators (GSMs), which are small molecules that selectively lower generation of the highly amyloidogenic Aβ42 peptides but spare Notch processing. GSMs with nanomolar potency and favorable pharmacological properties have been described, but the molecular mechanism of GSMs remains uncertain an…
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.
Formation of slow molecules in chemical reactions in crossed molecular beams
2008
T. V. Tscherbul, Ğ Barinovs, J. Klos, and R. V. Krems Department of Chemistry, University of British Columbia, Vancouver, British Columbia, Canada V6T 1Z1 Department of Theoretical Physics, Institute of Chemical Physics, University of Latvia, Riga, Latvia Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742, USA Received 13 January 2008; revised manuscript received 29 May 2008; published 8 August 2008
Molecular Diversity Required for the Formation of Autocatalytic Sets
2019
Systems chemistry deals with the design and study of complex chemical systems. However, such systems are often difficult to investigate experimentally. We provide an example of how theoretical and simulation-based studies can provide useful insights into the properties and dynamics of complex chemical systems, in particular of autocatalytic sets. We investigate the issue of the required molecular diversity for autocatalytic sets to exist in random polymer libraries. Given a fixed probability that an arbitrary polymer catalyzes the formation of other polymers, we calculate this required molecular diversity theoretically for two particular models of chemical reaction systems, and then verify …
2011
Abstract. The ability of coated mineral dust particles to act as ice nuclei (IN) was investigated at LACIS (Leipzig Aerosol Cloud Interaction Simulator) during the FROST1- and FROST2-campaigns (Freezing of dust). Sulphuric acid was condensed on the particles which afterwards were optionally humidified, treated with ammonia vapour and/or heat. By means of aerosol mass spectrometry we found evidence that processing of mineral dust particles with sulphuric acid leads to surface modifications of the particles. These surface modifications are most likely responsible for the observed reduction of the IN activation of the particles. The observed particle mass spectra suggest that different treatme…
Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens
2019
25 Páginas, 7 figuras, 2 tablas
The kinetics of anionic polymerization of styrene in 1,2-dimethoxiethane
2007
Kinetic measurements in a flow apparatus in combination with conductance measurements, permit the determination of the two equilibrium constants Kes and Kdiss* and the three propagation rate constants k(±)c, k(±)s and k(−) as a function of temperature. The great differences in the polymerization rate in various solvents are mainly caused by their influence on the equilibrium constants. The influence of the solvent on the rate constants is not greater than in other chemical reactions.
Some observations on the spectrophotometric determination of nitrite using ergonovine-p-dimethylaminobenzaldehyde
1991
Abstract The system ergonovine maleate-p-diethylaminobenzaldehyde in sulfuric acid media is applied to the kinetic-spectrophotometric determination of nitrite ions with competitive precision. The reaction rate is strongly enhanced by the presence of nitrite or ferric ions, being the nitrite in the “promoting” role of the reaction. Linear calibration plots are obtained for nitrite concentration ranges 0.3–2.4 ppm or 0.66–6 ppb. The influence of foreign compounds is also established.