scholarly journals Protonation Equilibria of N-Acetylcysteine

ACS Omega ◽  
2020 ◽  
Vol 5 (31) ◽  
pp. 19598-19605
Author(s):  
Ahmed E. Fazary ◽  
Nasser S. Awwad ◽  
Hala A. Ibrahium ◽  
Ali A. Shati ◽  
Mohammad Y. Alfaifi ◽  
...  
Keyword(s):  
Protonation Equilibria

Microscopic Protonation Equilibria of Oxidized Glutathione

2003 ◽  
Vol 107 (21) ◽  
pp. 5074-5080 ◽  
Author(s):  
Béla Noszál ◽  
Zoltán Szakács
Keyword(s):  
Oxidized Glutathione ◽  
Protonation Equilibria

p-Aminobenzoic Acid Protonation Dynamics in an Evaporating Droplet by Ab Initio Molecular Dynamics

2021 ◽  
Author(s):  
Patrick Rodrigues Batista ◽  
Tatiana Casselli Penna ◽  
Lucas C Ducati ◽  
Thiago Carita Correra
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Ab Initio Molecular Dynamics ◽  
Aminobenzoic Acid ◽  
Protonation Equilibria ◽  
Physical Phenomena

Protonation equilibria are known to vary from the bulk to microdroplet conditions, which could induce many chemical and physical phenomena. Protonated p-aminobenzoic acid (PABA+H+) can be considered a model for...

scholarly journals Fluorescent benzimidazo[1,2-a]quinolines: synthesis, spectroscopic and computational studies of protonation equilibria and metal ion sensitivity

2017 ◽  
Vol 41 (1) ◽  
pp. 358-371 ◽  
Author(s):  
Marijana Hranjec ◽  
Ema Horak ◽  
Darko Babić ◽  
Sanela Plavljanin ◽  
Zrinka Srdović ◽  
...  
Keyword(s):  
Metal Ion ◽  
Computational Studies ◽  
Protonation Equilibria

Novel benzimidazo[1,2-a]quinolines with promising pH and chemosensing properties are experimentally and computationally characterized.

Complete Resolution of the Microscopic Protonation Equilibria of D-myo-Inositol 1,2,6-Tris(phosphate) and Related Compounds by 31P NMR and Potentiometry

1995 ◽  
Vol 67 (15) ◽  
pp. 2567-2574 ◽  
Author(s):  
Khalid. Mernissi-Arifi ◽  
Laurent. Schmitt ◽  
Gilbert. Schlewer ◽  
Bernard. Spiess
Keyword(s):  
Complete Resolution ◽  
31P Nmr ◽  
Protonation Equilibria ◽  
Related Compounds

scholarly journals Equilibrium constants and protonation site for N-methylbenzenesulfonamides

2011 ◽  
Vol 7 ◽  
pp. 1732-1738 ◽  
Author(s):  
José A Moreira ◽  
Ana M Rosa da Costa ◽  
Luis García-Río ◽  
Márcia Pessêgo
Keyword(s):  
Sulfuric Acid ◽  
Oxygen Atom ◽  
Electron Donor ◽  
Equilibrium Constants ◽  
Acidity Constants ◽  
Protonation Site ◽  
Protonation Equilibria ◽  
Vis Spectroscopy ◽  
Donor Character ◽  
Solvation Parameter

The protonation equilibria of four substituted N-methylbenzenesulfonamides, X-MBS: X = 4-MeO (3a), 4-Me (3b), 4-Cl (3c) and 4-NO2 (3d), in aqueous sulfuric acid were studied at 25 °C by UV–vis spectroscopy. As expected, the values for the acidity constants are highly dependent on the electron-donor character of the substituent (the pK BH+ values are −3.5 ± 0.2, −4.2 ± 0.2, −5.2 ± 0.3 and −6.0 ± 0.3 for 3a, 3b, 3c and 3d, respectively). The solvation parameter m* is always higher than 0.5 and points to a decrease in the importance of solvation on the cation stabilization as the electron-donor character of the substituent increases. Hammett plots of the equilibrium constants showed a better correlation with the σ+ substituent parameter than with σ, which indicates that the initial protonation site is the oxygen atom of the sulfonyl group.

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