scholarly journals Theoretical Investigation of Excited States of Large Polyene Cations as Model Systems for Lightly Doped Polyacetylene

2006 ◽  
Vol 3 (1) ◽  
pp. 219-231 ◽  
Author(s):  
Ulrike Salzner
Keyword(s):  
Excited States ◽  
Theoretical Investigation ◽  
Model Systems

scholarly journals Role of Chiral Configuration in the Photoinduced Interaction of D- and L-Tryptophan with Optical Isomers of Ketoprofen in Linked Systems

2021 ◽  
Vol 22 (12) ◽  
pp. 6198
Author(s):  
Aleksandra A. Ageeva ◽  
Ilya M. Magin ◽  
Alexander B. Doktorov ◽  
Victor F. Plyusnin ◽  
Polina S. Kuznetsova ◽  
...  
Keyword(s):  
Amino Acid ◽  
Excited States ◽  
Resonance Energy Transfer ◽  
Resonance Energy ◽  
Dipole Interaction ◽  
The Body ◽  
Model Systems ◽  
Optical Isomers ◽  
Amino Acid Properties ◽  
Parkinson’S Diseases

The study of the L- and D-amino acid properties in proteins and peptides has attracted considerable attention in recent years, as the replacement of even one L-amino acid by its D-analogue due to aging of the body is resulted in a number of pathological conditions, including Alzheimer’s and Parkinson’s diseases. A recent trend is using short model systems to study the peculiarities of proteins with D-amino acids. In this report, the comparison of the excited states quenching of L- and D-tryptophan (Trp) in a model donor–acceptor dyad with (R)- and (S)-ketoprofen (KP-Trp) was carried out by photochemically induced dynamic nuclear polarization (CIDNP) and fluorescence spectroscopy. Quenching of the Trp excited states, which occurs via two mechanisms: prevailing resonance energy transfer (RET) and electron transfer (ET), indeed demonstrates some peculiarities for all three studied configurations of the dyad: (R,S)-, (S,R)-, and (S,S)-. Thus, the ET efficiency is identical for (S,R)- and (R,S)-enantiomers, while RET differs by 1.6 times. For (S,S)-, the CIDNP coefficient is almost an order of magnitude greater than for (R,S)- and (S,R)-. To understand the source of this difference, hyperpolarization of (S,S)-and (R,S)- has been calculated using theory involving the electron dipole–dipole interaction in the secular equation.

scholarly journals A Theoretical Investigation of the Electronic Structure of the Normal and Excited States of Copper Dimethylglyoxime and its Adducts with Water and Amines.

1967 ◽  
Vol 21 ◽  
pp. 1855-1870 ◽  
Author(s):  
B. Roos ◽  
Bengt Lindberg ◽  
Sigfrid Svensson ◽  
T. Norin ◽  
G. Eriksson ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Excited States ◽  
Theoretical Investigation

Theoretical investigation of the ground and the lowest excited states of Co(SB) complexes (SB = Schiff Base)

1991 ◽  
Vol 30 (10) ◽  
pp. 2388-2393 ◽  
Author(s):  
Alessandro. Fortunelli ◽  
Renato. Colle ◽  
Nazzareno. Re ◽  
Oriano. Salvetti
Keyword(s):  
Schiff Base ◽  
Excited States ◽  
Theoretical Investigation

Model Systems for Dynamics of π-Conjugated Biomolecules in Excited States

2017 ◽  
pp. 1697-1739 ◽  
Author(s):  
Mario Barbatti ◽  
Matthias Ruckenbauer ◽  
Jaroslaw J. Szymczak ◽  
Bernhard Sellner ◽  
Mario Vazdar ◽  
...  
Keyword(s):  
Excited States ◽  
Model Systems

Theoretical investigation of the excited states dynamics of the polydiacetylene backbone.

2000 ◽  
Author(s):  
T. Barisien ◽  
M. Turki ◽  
C. Daniel ◽  
J.-Y. Bigot
Keyword(s):  
Excited States ◽  
Theoretical Investigation
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