Difference between revisions of "Transformation of PGD2 to PGJ2"

From ISMOC
Jump to: navigation, search
(Parameters)
(Parameters)
Line 17: Line 17:
  
 
== Parameters ==
 
== Parameters ==
 
+
===  Association Rate Constant (Kf) ===
  
 
{|class="wikitable sortable"  
 
{|class="wikitable sortable"  
|+  style="text-align: left;" | Association Rate Constant (Kf)
+
|+  style="text-align: left;" | Literature values
 
|-
 
|-
 
! Value
 
! Value
Line 48: Line 48:
 
|}
 
|}
  
{|class="wikitable sortable"  
+
{| class="wikitable"
|+  style="text-align: left;" | Dissociation Rate Constant (Kr)
+
|+  style="text-align: left;" | Description of the reaction 8 Kf distribution
 +
! Mode (M-1 s-1) !! Confidence Interval !! Location parameter (µ) !! Scale parameter (σ)
 
|-
 
|-
! Value
+
| 4.48E+00 || 1.09E+03 || 7.34E+00 || 2.42E+00
! Units
+
|}
! Conditions
+
 
! Substrate
+
 
! Reference
+
 
|-
+
 
|
+
=== Dissociation Rate Constant (Kr) ===
|
+
This is a “Dependent parameter”, meaning that the log-normal distribution for this parameter was calculated using multivariate distributions  (this is discussed in detail[[Quantification of parameter uncertainty | here]]). As a result, no confidence interval factor or literature values were cited for this parameter.
|
+
{| class="wikitable"
|
+
|+  style="text-align: left;" | Description of the reaction 8 Kr distribution
|
+
! Mode (M-1 s-1) !! Location parameter (µ) !! Scale parameter (σ)
 
|-
 
|-
 +
| 9.25E-04 || -6.07E+00 || 9.57E-01
 +
|-
 
|}
 
|}
  
 +
===  Dissociation Constant ===
 
{|class="wikitable sortable"  
 
{|class="wikitable sortable"  
|+  style="text-align: left;" | Dissociation Constant
+
|+  style="text-align: left;" | Literature values
 
|-
 
|-
 
! Value
 
! Value
Line 93: Line 97:
 
|<ref name="Thiel1914”>[http://onlinelibrary.wiley.com/doi/10.1002/cber.191404701173/epdf Thiel and Strohecker (1914). Ber. deutsch. chem. Gem. 47, 945, 1061.]</ref>
 
|<ref name="Thiel1914”>[http://onlinelibrary.wiley.com/doi/10.1002/cber.191404701173/epdf Thiel and Strohecker (1914). Ber. deutsch. chem. Gem. 47, 945, 1061.]</ref>
 
|-
 
|-
 +
|}
 +
 +
{| class="wikitable"
 +
|+  style="text-align: left;" | Description of the reaction 8 KD distribution
 +
! Mode (M-1 s-1) !! Confidence Interval !! Location parameter (µ) !! Scale parameter (σ)
 +
|-
 +
| 4.49E-04 || 1.38E+00 || -7.61E+00 || 3.07E-01
 +
|-
 
|}
 
|}
  

Revision as of 08:56, 15 May 2019

Return to overview

Due to the lack of PGD2 production by keratinocyte and fibroblast cells, the anti-inflammatory cyclopentanones, PGJ2 and 15d-PGJ2, will not be produced during early experimental procedures either.


Reaction

R8 PGD2 - PGJ2.jpg

Chemical equation

 PGD2\rightleftharpoons PGJ2

Rate equation

R08.PNG

Parameters

Association Rate Constant (Kf)

Literature values
Value Units Conditions Substrate Reference
3.3E+6 (excluded) M-1 min-1 25°C and 0.055 ionic strength H2CO3 to CO2 [1]
4.5 M-1 min-1 20°C HC(OH)2COOH [2]
0.42 M-1 min-1 20°C HC(OH)2COO– [2]
Description of the reaction 8 Kf distribution
Mode (M-1 s-1) Confidence Interval Location parameter (µ) Scale parameter (σ)
4.48E+00 1.09E+03 7.34E+00 2.42E+00



Dissociation Rate Constant (Kr)

This is a “Dependent parameter”, meaning that the log-normal distribution for this parameter was calculated using multivariate distributions (this is discussed in detail here). As a result, no confidence interval factor or literature values were cited for this parameter.

Description of the reaction 8 Kr distribution
Mode (M-1 s-1) Location parameter (µ) Scale parameter (σ)
9.25E-04 -6.07E+00 9.57E-01

Dissociation Constant

Literature values
Value Units Conditions Substrate Reference
< 8E-04 N/A OH Radicals in the Presence of Added Gas Phase HNO3 (3 ppmv n-pentadecane, 0.25, 0.50, 1.0, or 2.0 ppmv HNO3, 10 ppmv O3, and 2 ppmv TME were added from a glass bulb in a flow of N2) Acid-Catalyzed Dehydration of Cyclic Hemiacetals (n-Pentadecane) in SOA
Cyclic Hemiacetals.PNG
[3]
4E-04 N/A PH of 100 cc. 0-02N NaHCO3, saturated with C02, into which 0 95 cc. H2CO3 [4]
4.4E-4 N/A In a 0O008 mol. solution of carbonic acid at 4°, 1-23 % is present as H2CO3 H2CO3 [5]
Description of the reaction 8 KD distribution
Mode (M-1 s-1) Confidence Interval Location parameter (µ) Scale parameter (σ)
4.49E-04 1.38E+00 -7.61E+00 3.07E-01

Related Reactions

References