Sodium chloride effect on the excited-state proton dissociation reaction of naphthols: water structure in the presence of sodium chloride

1986 ◽  
Vol 90 (25) ◽  
pp. 6708-6714 ◽  
Author(s):  
Haruo Shizuka ◽  
Toshiaki Ogiwara ◽  
Akiko Narita ◽  
Minoru Sumitani ◽  
Keitaro Yoshihara
Keyword(s):  
Excited State ◽  
Sodium Chloride ◽  
Water Structure ◽  
Dissociation Reaction ◽  
Proton Dissociation ◽  
Chloride Effect

scholarly journals Minimal Optimized Effective Potentials for Density Functional Theory Studies on Excited-State Proton Dissociation

Micromachines ◽  
2021 ◽  
Vol 12 (6) ◽  
pp. 679
Author(s):  
Pouya Partovi-Azar ◽  
Daniel Sebastiani
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Proton Transfer ◽  
Density Functional ◽  
Photochemical Reactions ◽  
Transfer Energy ◽  
Functional Theory ◽  
Effective Potentials ◽  
Proton Dissociation ◽  
Dissociation Curves

Recently, a new method [P. Partovi-Azar and D. Sebastiani, J. Chem. Phys. 152, 064101 (2020)] was proposed to increase the efficiency of proton transfer energy calculations in density functional theory by using the T1 state with additional optimized effective potentials instead of calculations at S1. In this work, we focus on proton transfer from six prototypical photoacids to neighboring water molecules and show that the reference proton dissociation curves obtained at S1 states using time-dependent density functional theory can be reproduced with a reasonable accuracy by performing T1 calculations at density functional theory level with only one additional effective potential for the acidic hydrogens. We also find that the extra effective potentials for the acidic hydrogens neither change the nature of the T1 state nor the structural properties of solvent molecules upon transfer from the acids. The presented method is not only beneficial for theoretical studies on excited state proton transfer, but we believe that it would also be useful for studying other excited state photochemical reactions.

Proton dissociation of azulenium cations in the excited state

1968 ◽  
Vol 90 (16) ◽  
pp. 4238-4242 ◽  
Author(s):  
K. H. Grellmann ◽  
E. Heilbronner ◽  
P. Seiler ◽  
A. Weller
Keyword(s):  
Excited State ◽  
Proton Dissociation

Effect of chloride on renal blood flow in angiotensin II induced hypertension

1991 ◽  
Vol 69 (4) ◽  
pp. 507-511 ◽  
Author(s):  
John C. Passmore ◽  
Agnes E. Jimenez
Keyword(s):  
Blood Pressure ◽  
Blood Flow ◽  
Sodium Chloride ◽  
Angiotensin Ii ◽  
Renal Blood Flow ◽  
Dietary Sodium ◽  
Maximum Increase ◽  
High Sodium ◽  
Low Sodium ◽  
Chloride Effect

The effect of selective dietary sodium and (or) chloride loading on blood pressure and renal blood flow (RBF) in the rat angiotensin II (AII) model of hypertension was determined. AII (200 ng/min) or saline was infused intraperitoneally. Diets were provided with either high or low concentrations of sodium, chloride or both ions for 22 days. The blood pressure of saline-treated animals was not increased by the high sodium chloride diet. Animals on a high sodium, high chloride diet had a significantly greater increase of blood pressure at 8, 15, 18, and 22 days of AII infusion compared with AII-treated animals on a low sodium, low chloride diet (p < 0.05). Selective dietary loading of either high sodium or chloride in AII-treated rats produced no greater elevation of blood pressure than AII with the low sodium, low chloride diet. Selective high dietary chloride was associated with a lower RBF in AII- and vehicle-treated rats compared with low dietary chloride. The chloride effect on RBF was greater in AII-treated animals. In conclusion, both sodium and chloride are necessary to produce the maximum increase of blood pressure in AII animals. AII enhances the decreased RBF induced by dietary chloride.Key words: angiotensin II, sodium chloride, blood pressure.

scholarly journals Sodium Chloride Effect on Dark Fixation of CO2 by Marine & Terrestrial Plants

1962 ◽  
Vol 37 (3) ◽  
pp. 446-449 ◽  
Author(s):  
Govind Joshi ◽  
Thomas Dolan ◽  
Robert Gee ◽  
Paul Saltman
Keyword(s):  
Sodium Chloride ◽  
Terrestrial Plants ◽  
Dark Fixation ◽  
Chloride Effect

scholarly journals Sodium chloride effect on the aggregation behaviour of rhamnolipids and their antifungal activity

2017 ◽  
Vol 7 (1) ◽  
Author(s):  
Ana I. Rodrigues ◽  
Eduardo J. Gudiña ◽  
José A. Teixeira ◽  
Lígia R. Rodrigues
Keyword(s):  
Sodium Chloride ◽  
Antifungal Activity ◽  
Aggregation Behaviour ◽  
Chloride Effect
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