Semiclassical methods for calculating radiative association rate constants for different thermodynamic conditions: Application to formation of CO, CN, and SiN

2019 ◽  
Vol 150 (22) ◽  
pp. 224301 ◽  
Author(s):  
Magnus Gustafsson ◽  
Robert C. Forrey
Keyword(s):  
Rate Constants ◽  
Association Rate ◽  
Semiclassical Methods ◽  
Radiative Association ◽  
Thermodynamic Conditions ◽  
Association Rate Constants

scholarly journals Effect of heparin on the glia-derived-nexin-thrombin interaction

1989 ◽  
Vol 257 (1) ◽  
pp. 191-196 ◽  
Author(s):  
A Wallace ◽  
G Rovelli ◽  
J Hofsteenge ◽  
S R Stone
Keyword(s):  
Rate Constants ◽  
Antithrombin Iii ◽  
Kinetic Properties ◽  
Association Rate ◽  
High Affinity ◽  
Diffusion Controlled ◽  
Different Types ◽  
Human Thrombin ◽  
Alpha Beta ◽  
Association Rate Constants

In order to determine the specificity of the interaction between thrombin and glia-derived nexin (GdN), the inactivation of proteolytically modified human thrombin species by GdN has been studied. The second-order rate constants for the inactivation of alpha-, beta T-, gamma T- and epsilon-thrombin by GdN were 1.41, 0.63, 0.33 and 1.91 microM-1.s-1 respectively. The kinetic properties of gdN were also investigated in the presence of different types of heparin, fractionated according to antithrombin III-binding affinity. Association rate constants of both gdN and antithrombin III with alpha-thrombin were obtained using unfractionated, low- and high-affinity heparin types. The different heparin types gave optimal rates of inhibition at similar heparin concentrations for both inhibitors. At optimal heparin concentrations, the rate of inactivation of alpha-thrombin by GdN was 0.5-1.2 nM-1.s-1, which suggests that, under these conditions, the interaction is diffusion-controlled.

scholarly journals Association Rate Constants as Determinants of Ligand Selectivity:Lessons from The Dopamine And The Serotonin Transporter

2015 ◽  
Vol 29 (S1) ◽  
Author(s):  
Michael Freissmuth ◽  
Peter Hasenhuetl ◽  
Sonja Sucic ◽  
Harald Sitte ◽  
Walter Sandtner
Keyword(s):  
Serotonin Transporter ◽  
Rate Constants ◽  
Association Rate ◽  
Association Rate Constants

On the chaperon mechanism for association rate constants: the formation of HO2 and O3

1996 ◽  
Vol 249 (3-4) ◽  
pp. 264-271 ◽  
Author(s):  
A.J.C. Varandas ◽  
A.A.C.C. Pais ◽  
J.M.C. Marques ◽  
W. Wang
Keyword(s):  
Rate Constants ◽  
Association Rate ◽  
Association Rate Constants

The rate of equilibration in a competitive n drug system and the auto-inhibitory equations of enzyme kinetics: some properties of simple models for passive sensitization

1968 ◽  
Vol 170 (1019) ◽  
pp. 135-154 ◽  
Keyword(s):  
Rate Constants ◽  
Present Knowledge ◽  
Parameter Estimates ◽  
Association Rate ◽  
Antibody Preparation ◽  
Plausible Model ◽  
Passive Sensitization ◽  
Long Time ◽  
Association Rate Constants

The solution of the equation for the rate of equilibration of n drugs all competing for the same receptors is presented and the two-drug case is given explicitly. The case of two com­peting drugs with the same rate constants is discussed in detail as it is the simplest plausible model for the rate of passive sensitization. The predictions of this model are compared with present knowledge about the rate of onset and the persistence of sensitization. The model suggests that if the observed rate of sensitization depends on the rates of reaction with receptors then (1) equilibration will be too slow to be seen in the usual length of passive sensitization experiment in vitro , (2) there will be no fast initial phase of sensitization, and (3) sensitizing immunoglobulins which persist for a long time (e. g. those of man and rat) will have a slower rate of onset than those which persist for a shorter time (e. g. those of the guinea-pig). It is also emphasized that there are at present no firm grounds for supposing that the more persistent sensitizing antibodies have a higher affinity for cells than the less persistent since the association rate constants are unknown. The model proposed by Mongar & Winne, which accounted for the auto-inhibition observed during passive sensitization by a mechanism involving two-point attachment of antibody to cells, is discussed in relation to uncompetitive and non-competitive models for auto­-inhibition. These models all fit the available observations equally well but the last of them does not involve two-point attachment of antibody. The presence of non-specific immuno­globulin in the antibody preparation used is shown to have a potentially very serious effect on some of the parameter estimates in all three models, and corrections for errors from this source are discussed.

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