Difference between revisions of "Transformation of PGD2 to PGJ2"

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! Conditions
 
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! Substrate
 
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|25°C and 0.055 ionic strength
 
|25°C and 0.055 ionic strength
 
|H2CO3 to CO2
 
|H2CO3 to CO2
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|32
 
|<ref name="Gibbons1963”>[http://www.jbc.org/content/238/10/3502.full.pdf B. Gibbons "Rate of Hydration of Carbon Dioxide and Dehydration of Carbonic Acid at 25" J Biol Chem. 1963 Oct;238:3502-7]</ref>
 
|<ref name="Gibbons1963”>[http://www.jbc.org/content/238/10/3502.full.pdf B. Gibbons "Rate of Hydration of Carbon Dioxide and Dehydration of Carbonic Acid at 25" J Biol Chem. 1963 Oct;238:3502-7]</ref>
 
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|20°C
 
|20°C
 
|HC(OH)2COOH
 
|HC(OH)2COOH
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|32
 
|<ref name="Turyan1998”>[hrcak.srce.hr/file/195437 Y.I. Tur'yan, "Kinetics and Equilibrium of the Dehydration-Hydration and Recombination-Dissociation Reactions of Glyoxylic Acid Investigated by Electrochemical Methods", CCACAA 71 (3) 727¿743 (1998)]</ref>
 
|<ref name="Turyan1998”>[hrcak.srce.hr/file/195437 Y.I. Tur'yan, "Kinetics and Equilibrium of the Dehydration-Hydration and Recombination-Dissociation Reactions of Glyoxylic Acid Investigated by Electrochemical Methods", CCACAA 71 (3) 727¿743 (1998)]</ref>
 
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|20°C
 
|20°C
 
|HC(OH)2COO–
 
|HC(OH)2COO–
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|32
 
|<ref name="Turyan1998”>[hrcak.srce.hr/file/195437 Y.I. Tur'yan, "Kinetics and Equilibrium of the Dehydration-Hydration and Recombination-Dissociation Reactions of Glyoxylic Acid Investigated by Electrochemical Methods", CCACAA 71 (3) 727¿743 (1998)]</ref>
 
|<ref name="Turyan1998”>[hrcak.srce.hr/file/195437 Y.I. Tur'yan, "Kinetics and Equilibrium of the Dehydration-Hydration and Recombination-Dissociation Reactions of Glyoxylic Acid Investigated by Electrochemical Methods", CCACAA 71 (3) 727¿743 (1998)]</ref>
 
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! Conditions
 
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|Acid-Catalyzed Dehydration of Cyclic Hemiacetals (n-Pentadecane) in SOA
 
|Acid-Catalyzed Dehydration of Cyclic Hemiacetals (n-Pentadecane) in SOA
 
[[File:Cyclic Hemiacetals.PNG ‎|center|100px]]
 
[[File:Cyclic Hemiacetals.PNG ‎|center|100px]]
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|8
 
|<ref name="Ranney2016”>[http://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b01402 A. Ranney "Kinetics of Acid-Catalyzed Dehydration of Cyclic Hemiacetals in Organic Aerosol Particles in Equilibrium with Nitric Acid Vapor"  J. Phys. Chem. A, 2016, 120 (16), pp 2561–2568]</ref>
 
|<ref name="Ranney2016”>[http://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b01402 A. Ranney "Kinetics of Acid-Catalyzed Dehydration of Cyclic Hemiacetals in Organic Aerosol Particles in Equilibrium with Nitric Acid Vapor"  J. Phys. Chem. A, 2016, 120 (16), pp 2561–2568]</ref>
 
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|PH of 100 cc. 0-02N NaHCO3, saturated with C02, into which 0 95 cc.
 
|PH of 100 cc. 0-02N NaHCO3, saturated with C02, into which 0 95 cc.
 
|H2CO3
 
|H2CO3
 +
|8
 
|<ref name="BUYTENDYK1927”>[https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1251954/pdf/biochemj01144-0128.pdf F. BUYTENDYK "A Study of the System Carbonic Acid, Carbon Dioxide and Water - Determination of the True Dissociation-constant of Carbonic Acid"  Biochem J. 1927; 21(3): 576–584.]</ref>
 
|<ref name="BUYTENDYK1927”>[https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1251954/pdf/biochemj01144-0128.pdf F. BUYTENDYK "A Study of the System Carbonic Acid, Carbon Dioxide and Water - Determination of the True Dissociation-constant of Carbonic Acid"  Biochem J. 1927; 21(3): 576–584.]</ref>
 
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|In a 0O008 mol. solution of carbonic acid at 4°, 1-23 % is present as H2CO3
 
|In a 0O008 mol. solution of carbonic acid at 4°, 1-23 % is present as H2CO3
 
|H2CO3
 
|H2CO3
 +
|8
 
|<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>
 
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Revision as of 10:47, 22 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 Weight Reference
3.3E+6 (excluded) M-1 min-1 25°C and 0.055 ionic strength H2CO3 to CO2 32 [1]
4.5 M-1 min-1 20°C HC(OH)2COOH 32 [2]
0.42 M-1 min-1 20°C HC(OH)2COO– 32 [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
The estimated probability distribution for reaction 8 Kf. The value and weight of the literature values used to define the distribution are indicated by an orange dashed line. The x axis is plotted on a log-scale.


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
The estimated probability distribution for reaction 8 Kr. The value and weight of the literature values used to define the distribution are indicated by an orange dashed line. The x axis is plotted on a log-scale.

Dissociation Constant

Literature values
Value Units Conditions Substrate Weight 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
 8 [3]
4E-04 N/A PH of 100 cc. 0-02N NaHCO3, saturated with C02, into which 0 95 cc. H2CO3 8 [4]
4.4E-4 N/A In a 0O008 mol. solution of carbonic acid at 4°, 1-23 % is present as H2CO3 H2CO3 8 [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
The estimated probability distribution for reaction 8 KD. The value and weight of the literature values used to define the distribution are indicated by an orange dashed line. The x axis is plotted on a log-scale.

Related Reactions

References

  1. ↑ B. Gibbons "Rate of Hydration of Carbon Dioxide and Dehydration of Carbonic Acid at 25" J Biol Chem. 1963 Oct;238:3502-7
  2. ↑ 2.0 2.1 [hrcak.srce.hr/file/195437 Y.I. Tur'yan, "Kinetics and Equilibrium of the Dehydration-Hydration and Recombination-Dissociation Reactions of Glyoxylic Acid Investigated by Electrochemical Methods", CCACAA 71 (3) 727¿743 (1998)]
  3. ↑ A. Ranney "Kinetics of Acid-Catalyzed Dehydration of Cyclic Hemiacetals in Organic Aerosol Particles in Equilibrium with Nitric Acid Vapor" J. Phys. Chem. A, 2016, 120 (16), pp 2561–2568
  4. ↑ F. BUYTENDYK "A Study of the System Carbonic Acid, Carbon Dioxide and Water - Determination of the True Dissociation-constant of Carbonic Acid" Biochem J. 1927; 21(3): 576–584.
  5. ↑ Thiel and Strohecker (1914). Ber. deutsch. chem. Gem. 47, 945, 1061.
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