Influence of 2′-Deoxy Sugar Moiety on Excited-State Protonation Equilibrium of Adenine and Adenosine with Acridine inside SDS Micelles: A Time-Resolved Study with Quantum Chemical Calculations

ChemPhysChem ◽  
2012 ◽  
Vol 13 (2) ◽  
pp. 525-534 ◽  
Author(s):  
Manas Kumar Sarangi ◽  
Dhananjay Bhattacharyya ◽  
Samita Basu
Keyword(s):  
Excited State ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Time Resolved ◽  
Sugar Moiety ◽  
Sds Micelles ◽  
Protonation Equilibrium ◽  
Deoxy Sugar

The involvement of triplet receiver states in the ultrafast excited state processes of small esters

2016 ◽  
Vol 18 (35) ◽  
pp. 24484-24497 ◽  
Author(s):  
A. B. Stephansen ◽  
M. A. B. Larsen ◽  
T. I. Sølling
Keyword(s):  
Mass Spectrometry ◽  
Excited State ◽  
Quantum Chemical Calculations ◽  
Photoelectron Spectroscopy ◽  
Quantum Chemical ◽  
Methyl Acetate ◽  
Methyl Formate ◽  
Time Resolved ◽  
Photoinduced Processes

The photoinduced processes of methyl formate and methyl acetate have been probed by femtosecond time-resolved mass spectrometry and photoelectron spectroscopy experiments supported by quantum chemical calculations.

scholarly journals Competition between excited state proton and OH− transport via a short water wire: solvent effects open the gate

2014 ◽  
Vol 16 (26) ◽  
pp. 13047-13051 ◽  
Author(s):  
Gül Bekçioğlu ◽  
Christoph Allolio ◽  
Maria Ekimova ◽  
Erik T. J. Nibbering ◽  
Daniel Sebastiani
Keyword(s):  
Excited State ◽  
Exchange Reaction ◽  
Quantum Chemical Calculations ◽  
Solvent Effects ◽  
Quantum Chemical ◽  
Proton Exchange ◽  
Acid Base

We investigate the acid–base proton exchange reaction in a microsolvated bifunctional chromophore by means of quantum chemical calculations.

scholarly journals Binding of Coumarin 334 withβ-Cyclodextrin and with C-Hexylpyrogallol[4]arene: Opposite Fluorescence Behavior

2013 ◽  
Vol 2013 ◽  
pp. 1-13 ◽  
Author(s):  
Chandrasekaran Sowrirajan ◽  
Enoch Israel Vijayaraj Muthu Vijayan
Keyword(s):  
Excited State ◽  
Inclusion Complexation ◽  
Fluorescence Analysis ◽  
Time Resolved Fluorescence ◽  
Time Resolved ◽  
Host Molecules ◽  
Protonation Equilibrium ◽  
Decay Pattern ◽  
Strong Inclusion ◽  
2D Roesy

We report here the structure of the host-guest complexes of Coumarin 334 (C334) withβ-cyclodextrin (β-CD) and with C-hexylpyrogallol[4]arene (C-HPA) and the effect of acidity on the neutral-cation equilibrium of C334 in water and in the presence of the host molecules. The structures of the host-guest complexes are proposed on the basis of the change of fluorescence on the addition ofβ-CD or C-HPA to C334 and by 2D ROESY spectroscopy. Opposite fluorescence behaviors, that is, quenching of fluorescence inβ-CD and enhancement of fluorescence in C-HPA are observed. Time-resolved fluorescence analysis is done for the complexation, and biexponential decay pattern is observed. The possible strong inclusion complexation with C-HPA is explained. The ground and the excited statepKavalues for the protonation equilibrium of C334 in water and the difficulty of protonation in the presence of the host molecules are discussed.

scholarly journals Excited-state hydrogen atom abstraction initiates the photochemistry of β-2′-deoxycytidine

2015 ◽  
Vol 6 (3) ◽  
pp. 2035-2043 ◽  
Author(s):  
Rafał Szabla ◽  
Jesús Campos ◽  
Judit E. Šponer ◽  
Jiří Šponer ◽  
Robert W. Góra ◽  
...  
Keyword(s):  
Excited State ◽  
Hydrogen Atom ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Hydrogen Atom Abstraction ◽  
Nucleobase Loss

H–D exchange experiments and quantum-chemical calculations elucidate the mechanism of photoinduced anomerisation and nucleobase loss reactions observed in β-2′-deoxycytidine.

Surprisingly Slow Reaction of Dimethylsilylene with Dimethylgermane:  Time-Resolved Kinetic Studies and Related Quantum Chemical Calculations

2008 ◽  
Vol 112 (5) ◽  
pp. 849-857 ◽  
Author(s):  
Rosa Becerra ◽  
Sergey E. Boganov ◽  
Mikhail P. Egorov ◽  
Valery I. Faustov ◽  
Irina V. Krylova ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Kinetic Studies ◽  
Time Resolved ◽  
Slow Reaction
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