scholarly journals Analysis of Two-State Folding Using Parabolic Approximation II: Temperature-Dependence

2016 ◽  
Author(s):  
Robert S Sade
Keyword(s):  
Protein Folding ◽  
Gibbs Energy ◽  
Temperature Dependence ◽  
Rate Constants ◽  
Heat Capacities ◽  
State System ◽  
Parabolic Approximation ◽  
Temperature Range ◽  
Gibbs Energies ◽  
Novel Treatment

Equations that govern the temperature-dependence of the rate constants, Gibbs energies, enthalpies, entropies and heat capacities of activation for folding and unfolding of spontaneously-folding fixed two-state systems have been derived using a procedure that treats the denatured and the native conformers as being confined to harmonic Gibbs energy wells. The notion that a two-state system is physically defined only for a set temperature range is introduced. The implications of this novel treatment for protein folding are discussed.

Temperature dependence of the limiting low- and high-pressure rate constants for the CH3O+NO2+He reaction over the 250–390 K temperature range

2000 ◽  
Vol 329 (3-4) ◽  
pp. 191-199 ◽  
Author(s):  
E. Martı́nez ◽  
J. Albaladejo ◽  
E. Jiménez ◽  
A. Notario ◽  
Y. Dı́az de Mera
Keyword(s):  
High Pressure ◽  
Temperature Dependence ◽  
Rate Constants ◽  
Temperature Range

scholarly journals ANALYSIS OF THE INFLUENCE OF AIR TEMPERATURE ON CHANGES IN GIBBS ENERGY IN THE FORMATION OF NITROGEN OXIDES IN SMOKE GASES OF BOILER PLANTS

2020 ◽  
Vol 10 (1) ◽  
pp. 164-171
Author(s):  
Olga A. BALANDINA ◽  
Svetlana M. PURUNG ◽  
Dmitry I. PASHCHENKO
Keyword(s):  
Nitrogen Oxides ◽  
Gibbs Energy ◽  
Air Temperature ◽  
Chemical Equilibrium ◽  
Thermodynamic Calculations ◽  
Free Energies ◽  
Gas Emissions ◽  
Temperature Range ◽  
Gibbs Energies

The article discusses the mechanisms of the occurrence of nitrogen oxides in the gas emissions of boiler plants. Using thermodynamic calculations, the probability and direction of the process of the formation of nitrogen oxides in the temperature range from 25 to 2000° C were determined. The geometric thermodynamics methods show changes in the Gibbs energy of reactions of the formation of nitrogen oxides from temperature, and determine the conditions for achieving their chemical equilibrium. An analysis of the results showed that the standard changes in the free energies (Gibbs energies) of the reactions of the formation of nitrogen oxides during the combustion of gas fuels are mostly negative

Salt effect in hydrolysis of 3-acyl-1,3-diphenyltriazenes

1981 ◽  
Vol 46 (12) ◽  
pp. 3104-3109 ◽  
Author(s):  
Miroslav Ludwig ◽  
Oldřich Pytela ◽  
Miroslav Večeřa
Keyword(s):  
Sodium Chloride ◽  
Temperature Dependence ◽  
Potassium Chloride ◽  
Rate Constants ◽  
Zinc Sulphate ◽  
Salt Effect ◽  
Sodium Sulphate ◽  
Potassium Sulphate ◽  
Lithium Sulphate ◽  
Hydrolysis Of

Rate constants of non-catalyzed hydrolysis of 3-acetyl-1,3-diphenyltriazene (I) and 3-(N-methylcarbamoyl)-1,3-diphenyltriazene (II) have been measured in the presence of salts (ammonium chloride, potassium chloride, lithium chloride, sodium chloride and bromide, ammonium sulphate, potassium sulphate, lithium sulphate, sodium sulphate and zinc sulphate) within broad concentration ranges. Temperature dependence of the hydrolysis of the substrates studied has been measured in the presence of lithium sulphate within temperature range 20° to 55 °C. The results obtained have been interpreted by mechanisms of hydrolysis of the studied substances.

On Temperature Dependence of Excess Gibbs Energy

1999 ◽  
Vol 64 (7) ◽  
pp. 1093-1099 ◽  
Author(s):  
Ivona Malijevská ◽  
Anatol Malijevský
Keyword(s):  
Heat Capacity ◽  
Gibbs Energy ◽  
Temperature Dependence ◽  
Excess Gibbs Energy ◽  
Excess Enthalpy ◽  
Excess Heat Capacity ◽  
Wilson Equation ◽  
Excess Heat ◽  
Energy Excess ◽  
Wilson And Nrtl Equations

Temperature dependence of GE is discussed for three widely used equations linear and nonlinear in parameters. It is shown that the Wilson equation predicts always positive excess heat capacity regardless of values of its parameters. Several temperature modifications of the Redlich-Kister, Wilson and NRTL equations are discussed with respect to the sign of the excess Gibbs energy, excess enthalpy and excess heat capacity.

Determination of the Nucleophilicity of Tricarbonyliron Coordinated Cyclohepta-1,3,5-triene

1999 ◽  
Vol 64 (11) ◽  
pp. 1770-1779 ◽  
Author(s):  
Herbert Mayr ◽  
Karl-Heinz Müller
Keyword(s):  
Gibbs Energy ◽  
Ambient Temperature ◽  
Rate Constants ◽  
Second Order ◽  
Order Rate ◽  
Electrophilic Additions ◽  
Kinetics Of

The kinetics of the electrophilic additions of four diarylcarbenium ions (4a-4d) to tricarbonyl(η4-cyclohepta-1,3,5-triene)iron (1) have been studied photometrically. The second-order rate constants match the linear Gibbs energy relationship log k20 °C = s(E + N) and yield the nucleophilicity parameter N(1) = 3.69. It is concluded that electrophiles with E ≥ -9 will react with complex 1 at ambient temperature.

Radiolysis studies on the corrosion inhibitors 1 -hexyn-3-ol, cinnamonitrile, and 1,3-diethyl-2-thiourea

1995 ◽  
Vol 73 (12) ◽  
pp. 2137-2142 ◽  
Author(s):  
A.J. Elliot ◽  
M.P. Chenier ◽  
D.C. Ouellette
Keyword(s):  
Hydrogen Atom ◽  
Hydroxyl Radical ◽  
Temperature Dependence ◽  
Rate Constant ◽  
Rate Constants ◽  
Corrosion Inhibitors ◽  
Hydrated Electron

In this publication we report: (i) the rate constants for reaction of the hydrated electron with 1-hexyn-3-ol ((8.6 ± 0.3) × 108 dm3 mol−1 s−1 at 18 °C), cinnamonitrile ((2.3 ± 0.2) × 1010 dm3 mol−1 s−1 at 20 °C), and 1,3-diethyl-2-thiourea ((3.5 ± 0.3) × 108 dm3 mol−1 s−1 at 22 °C). For cinnamonitrile and diethylthiourea, the temperature dependence up to 200 °C and 150 °C, respectively, is also reported; (ii) the rate constants for the reaction of the hydroxyl radical with 1-hexyn-3-ol ((5.5 ± 0.5) × 109 dm3 mol−1 s−1 at 20 °C), cinnamonitrile ((9.2 ± 0.3) × 109 dm3 mol−1 s−1 at 21 °C), and diethylthiourea ((8.0 ± 0.8) × 108 dm3 mol−1 s−1 at 22 °C). For cinnamonitrile, the temperature dependence up to 200 °C is also reported; (iii) the rate constant for the hydrogen atom reacting with 1-hexyn-3-ol ((4.3 ± 0.4) × 109 dm3 mol−1 s−1 at 20 °C). Keywords: radiolysis, corrosion inhibitors, rate constants.

Specific features of the temperature dependence of tryptophan fluorescence lifetime in the temperature range of −170–20 °C

2020 ◽  
Vol 393 ◽  
pp. 112435
Author(s):  
Peter P. Knox ◽  
Vladimir V. Gorokhov ◽  
Boris N. Korvatovsky ◽  
Nadezhda P. Grishanova ◽  
Sergey N. Goryachev ◽  
...  
Keyword(s):  
Temperature Dependence ◽  
Fluorescence Lifetime ◽  
Tryptophan Fluorescence ◽  
Temperature Range

A kinetic standard for precise calibration of spectrophotometer cell temperature.

1981 ◽  
Vol 27 (5) ◽  
pp. 753-755 ◽  
Author(s):  
P A Adams ◽  
M C Berman
Keyword(s):  
Temperature Dependence ◽  
Rate Constants ◽  
Cell Temperature ◽  
First Order ◽  
Order Rate ◽  
Acid Catalyzed ◽  
Pseudo First Order ◽  
Hydrolysis Of

Abstract We describe a simple, highly reproducible kinetic technique for precisely measuring temperature in spectrophotometric systems having reaction cells that are inaccessible to conventional temperature probes. The method is based on the temperature dependence of pseudo-first-order rate constants for the acid-catalyzed hydrolysis of N-o-tolyl-D-glucosylamine. Temperatures of reaction cuvette contents are measured with a precision of +/- 0.05 degrees C (1 SD).

Temperature dependence of chlorine-35 N.Q.R. in 2,6-Dichlorophenol

1978 ◽  
Vol 31 (4) ◽  
pp. 791 ◽  
Author(s):  
R Chandramani ◽  
SP Basavaraju ◽  
N Devaraj
Keyword(s):  
Temperature Dependence ◽  
Room Temperature ◽  
Temperature Range ◽  
Temperature Coefficients ◽  
Brown's Method

Chlorine n.q.r, in 2,6-dichlorophenol has been investigated at temperatures from 77 K to room temperature. Two resonance lines due to chemically inequivalent sites have been observed throughout this temperature range. Torsional frequencies of the molecule have been calculated at temperatures from 77 to 300 K according to Bayer's theory and Brown's method. Also the temperature coefficients of the torsional frequencies have been calculated.

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