Proton transfer in hydrogen-bonded pyridine/acid systems: the role of higher aggregation

2007 ◽  
Vol 9 (24) ◽  
pp. 3181 ◽  
Author(s):  
Vytautas Balevicius ◽  
Ruta Bariseviciute ◽  
Kestutis Aidas ◽  
Ingrid Svoboda ◽  
Helmut Ehrenberg ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Hydrogen Bonded

scholarly journals The role of charge and proton transfer in fragmentation of hydrogen-bonded nanosystems: the breakup of ammonia clusters upon single photon multi-ionization

2018 ◽  
Vol 20 (2) ◽  
pp. 932-940 ◽  
Author(s):  
Bart Oostenrijk ◽  
Noelle Walsh ◽  
Joakim Laksman ◽  
Erik P. Månsson ◽  
Christian Grunewald ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Single Photon ◽  
Model System ◽  
System P ◽  
Proton Dynamics ◽  
Ammonia Clusters ◽  
Hydrogen Bonded

The charge and proton dynamics in hydrogen-bonded networks are investigated using ammonia as a model system.

Role of Hydrogen-Bonded Adducts in Excited-State Proton-Transfer Processes

2000 ◽  
Vol 104 (32) ◽  
pp. 7429-7441 ◽  
Author(s):  
J. Carlos Penedo ◽  
Manuel Mosquera ◽  
Flor Rodríguez-Prieto
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Transfer Processes ◽  
Excited State Proton Transfer ◽  
Hydrogen Bonded

Theoretical Analysis of Hydrogen Bonding in the Active Site of Bovine Rhodopsin

2008 ◽  
Vol 59 (11) ◽  
Author(s):  
Ana-Nicoleta Bondar ◽  
Minoru Sugihara
Keyword(s):  
Schiff Base ◽  
Proton Transfer ◽  
Protein Structures ◽  
Binding Pocket ◽  
Transfer Path ◽  
Bovine Rhodopsin ◽  
Protein Amino Acids ◽  
Retinal Binding Pocket ◽  
Hydrogen Bonded

The retinal binding pocket of bovine rhodopsin contains an extended hydrogen-bonded network that involves protein amino acids and water molecules. The protonation state and the role of Glu181, which is part of the hydrogen-bonded network, have been debated. According to the counterion switch model, Glu181 is protonated in the rhodopsin state and it becomes negatively charged (and a counterion for the protonated retinal Schiff base) in Meta II, upon proton transfer to Glu113[24, 25]. In contrast, in the complex counterion model Glu181 is negatively charged in rhodopsin, and the role of counterion is gradually shifted from Glu113 to Glu181 during activation [13]. Here we perform computer simulations to examine the energetics of a putative proton transfer path from Glu181 to the counterion of the retinal Schiff base, Glu113, in the rhodopsin and bathorhodopsin intermediates. The calculated energy barriers and reaction energies are significant. This suggests that proton transfer from Glu181 to Glu113 is very unlikely in the rhodopsin and bathorohodopsin protein structures.

The Role of Conserved Residues in the DEDDh Motif: the Proton-Transfer Mechanism of HIV-1 RNase H

ACS Catalysis ◽  
2021 ◽  
pp. 7915-7927
Author(s):  
Simon L. Dürr ◽  
Olga Bohuszewicz ◽  
Dénes Berta ◽  
Reynier Suardiaz ◽  
Pablo G. Jambrina ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Rnase H ◽  
Transfer Mechanism ◽  
Conserved Residues ◽  
Hiv 1

scholarly journals Revealing the role of excited state proton transfer (ESPT) in excited state hydrogen transfer (ESHT): systematic study in phenol–(NH3)n clusters

2021 ◽  
Author(s):  
Christophe Jouvet ◽  
Mitsuhiko Miyazaki ◽  
Masaaki Fujii
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Systematic Study ◽  
General Model ◽  
Hydrogen Transfer ◽  
Excited State Proton Transfer

A general model of excited state hydrogen transfer (ESHT) which unifies ESHT and the excited state proton transfer (ESPT) is presented from experimental and theoretical works on phenol–(NH3)n. The hidden role of ESPT is revealed.

Role of Solvent in Excited-State Proton Transfer in Hypericin

1994 ◽  
Vol 98 (34) ◽  
pp. 8352-8358 ◽  
Author(s):  
F. Gai ◽  
M. J. Fehr ◽  
J. W. Petrich
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Excited State Proton Transfer ◽  
Role Of Solvent

scholarly journals The role of acid in the formation of hydrogen-bonded networks featuring 4,4′-dicarboxy-2,2′-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]·H2O}2and [Cu(H2dcbp)(NO3)2(H2O)]

CrystEngComm ◽  
2005 ◽  
Vol 7 (13) ◽  
pp. 90-95 ◽  
Author(s):  
Eithne Tynan ◽  
Paul Jensen ◽  
Anthea C. Lees ◽  
Boujemaa Moubaraki ◽  
Keith S. Murray ◽  
...  
Keyword(s):  
Hydrogen Bonded
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