scholarly journals Influence of non-adiabatic effects on linear absorption spectra in the condensed phase: Methylene blue

2021 ◽  
Vol 155 (14) ◽  
pp. 144112
Author(s):  
Angus J. Dunnett ◽  
Duncan Gowland ◽  
Christine M. Isborn ◽  
Alex W. Chin ◽  
Tim J. Zuehlsdorff
Keyword(s):  
Methylene Blue ◽  
Absorption Spectra ◽  
Condensed Phase ◽  
Linear Absorption

STUDY OF ABSORPTION SPECTRA OF THE COMPLEXES OF BOVINE SERUM ALBUMIN WITH HOECHST 33258 AND METHYLENE BLUE

2021 ◽  
Vol 55 (2 (255)) ◽  
pp. 158-164
Author(s):  
Nara H. Petrosyan
Keyword(s):  
Methylene Blue ◽  
Serum Albumin ◽  
Absorption Spectra ◽  
Hoechst 33258 ◽  
Differential Absorption ◽  
Partial Loss ◽  
Groove Binding ◽  
Compact Structure ◽  
Binding Material ◽  
Molecular Compounds

The study on the interaction of DNA-specific low-molecular compounds – groove binding material Hoechst 33258 and intercalating ligand methylene blue (MB) with serum albumin has been carried out. The absorption and differential absorption spectra of complexes of the mentioned ligands with protein were obtained. Changes of the absorption and differential absorption spectra indicate the binding of two ligands with albumin. The obtained results indicate that at the interaction with both ligands, the conformational state of the protein alters, though these changes are not similar, since in the case of MB a compactization of the protein folding occurs, while in the case of Hoechst 33258, most apparently, an unfolding of the compact structure takes place as a result of partial loss of helicity of $\alpha$-structures.

scholarly journals Linear absorption spectra of solvated thiouracils resolved at the hybrid RASPT2/MM level

2018 ◽  
Vol 515 ◽  
pp. 643-653 ◽  
Author(s):  
Artur Nenov ◽  
Irene Conti ◽  
Rocio Borrego-Varillas ◽  
Giulio Cerullo ◽  
Marco Garavelli
Keyword(s):  
Absorption Spectra ◽  
Linear Absorption

scholarly journals LARGE-SCALE FIRST PRINCIPLES CONFIGURATION INTERACTION CALCULATIONS OF OPTICAL ABSORPTION IN BORON CLUSTERS

Nano LIFE ◽  
2012 ◽  
Vol 02 (02) ◽  
pp. 1240004 ◽  
Author(s):  
RAVINDRA SHINDE ◽  
ALOK SHUKLA
Keyword(s):  
Optical Absorption ◽  
Absorption Spectra ◽  
Excited States ◽  
Configuration Interaction ◽  
Large Scale ◽  
Body Wave ◽  
Basis Sets ◽  
Linear Absorption ◽  
Transition Dipole ◽  
Boron Clusters

We have performed systematic large-scale all-electron correlated calculations on boron clusters B n(n = 2 - 5), to study their linear optical absorption spectra. Several possible isomers of each cluster were considered, and their geometries were optimized at the coupled-cluster singles doubles (CCSD) level of theory. Using the optimized ground-state geometries, the excited states of different clusters were computed using the multi-reference singles-doubles configuration–interaction (MRSDCI) approach, which includes electron correlation effects at a sophisticated level. These CI wave functions were used to compute the transition dipole matrix elements connecting the ground and various excited states of different clusters, eventually leading to their linear absorption spectra. The convergence of our results with respect to the basis sets, and the size of the CI expansion were carefully examined. The contribution of configurations to many body wave-function of various excited states suggests that the excitations involved are collective, plasmonic type.

Photochemical Electron Transfer in the System Polypyrrole-Methylene Blue

1994 ◽  
Vol 47 (6) ◽  
pp. 1163 ◽  
Author(s):  
D Matthews ◽  
A Altus ◽  
A Hope
Keyword(s):  
Methylene Blue ◽  
Electron Transfer ◽  
Absorption Spectrum ◽  
Absorption Spectra ◽  
Flash Photolysis ◽  
Laser Flash Photolysis ◽  
Laser Flash ◽  
Vitamin K1 ◽  
Photochemical Reduction ◽  
Long Chain

Methylene Blue incorporated into colloidal oxidized polypyrrole was investigated by absorption spectroscopy and laser flash photolysis. The absorption spectra of Methylene Blue and polypyrrole were unaffected by incorporation. Flash photolysis transients of Methylene Blue and triplet Methylene Blue in ethanol were affected by 1,4-benzoquinone and 1,4-benzoquinol but not by the long-chain naphthoquinone Vitamin K1. Incorporation of Methylene Blue in polypyrrole produced distinct changes in the flash photolysis transients of Methylene Blue and triplet Methylene Blue. Very long-lived transients, with lifetimes of the order of 10 ms, were observed. These effects were accompanied by long-lived changes in the absorption spectrum of Methylene Blue. The transients were modified by the addition of 1,4-benzoquinone but not 1,4-benzoquinol. The results indicate photochemical reduction of oxidized polypyrrole by triplet Methylene Blue with the production of stable long-lived species capable of reducing 1,4-benzoquinone.

In Situ Absorption Spectra and Adsorbed Species of Methylene Blue on Glass/Water Interfaces by Slab Optical Waveguide Spectroscopy

2003 ◽  
Vol 57 (1) ◽  
pp. 100-103 ◽  
Author(s):  
Naoki Matsuda ◽  
Jinjian Zheng ◽  
De-Kui Qing ◽  
Akiko Takatsu ◽  
Kenji Kato
Keyword(s):  
Methylene Blue ◽  
Absorption Spectra ◽  
Optical Waveguide ◽  
Adsorbed Species ◽  
In Situ Absorption
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