scholarly journals Unusual Role of Excited State Mixing in the Enhancement of Photoinduced Ligand Exchange in Ru(II) Complexes

2017 ◽  
Vol 139 (50) ◽  
pp. 18295-18306 ◽  
Author(s):  
Lauren M. Loftus ◽  
Ao Li ◽  
Kathlyn L. Fillman ◽  
Philip D. Martin ◽  
Jeremy J. Kodanko ◽  
...  
Keyword(s):  
Excited State ◽  
Ligand Exchange ◽  
State Mixing

scholarly journals Sub-picosecond C=C bond photo-isomerization: evidence for the role of excited state mixing

2021 ◽  
pp. 1-28
Author(s):  
Damianos Agathangelou ◽  
Partha Pratim Roy ◽  
María del Carmen Marín ◽  
Nicolas Ferré ◽  
Massimo Olivucci ◽  
...  
Keyword(s):  
Excited State ◽  
State Mixing

Dynamic adjustment of emission from both singlets and triplets: the role of excited state conformation relaxation and charge transfer in phenothiazine derivates

2021 ◽  
Author(s):  
Weidong Qiu ◽  
Xinyi Cai ◽  
Mengke Li ◽  
Liangying Wang ◽  
Yanmei He ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Dynamic Adjustment ◽  
Twisted Intramolecular Charge Transfer

Dynamic adjustment of emission behaviours by controlling the extent of twisted intramolecular charge transfer character in excited state.

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.

The role of conformational heterogeneity in the excited state dynamics of linked diketopyrrolopyrrole dimers

2021 ◽  
Author(s):  
Siobhan Bradley ◽  
Ming Chi ◽  
Jonathan White ◽  
Christopher R. Hall ◽  
Lars Goerigk ◽  
...  
Keyword(s):  
Excited State ◽  
Conformational Heterogeneity ◽  
Singlet Fission ◽  
Excited State Dynamics

Diketopyrrolopyrrole (DPP) derivatives have been proposed for both singlet fission and energy upconversion as they meet the energetic requirements and exhibit superior photostability compared to many other chromophores. In this...

A first-principles study of the atomic layer deposition of ZnO on carboxyl functionalized carbon nanotubes: the role of water molecules

2021 ◽  
Vol 23 (5) ◽  
pp. 3467-3478
Author(s):  
J. I. Paez-Ornelas ◽  
H. N. Fernández-Escamilla ◽  
H. A. Borbón-Nuñez ◽  
H. Tiznado ◽  
Noboru Takeuchi ◽  
...  
Keyword(s):  
First Principles ◽  
Ligand Exchange ◽  
Functional Group ◽  
Atomic Layer ◽  
High Reactivity ◽  
Water Molecules ◽  
Exchange Reactions ◽  
Layer Deposition ◽  
The Right

Atomic description of ALD in systems that combine large surface area and high reactivity is key for selecting the right functional group to enhance the ligand-exchange reactions.

The role of dynamics in modulating ligand exchange in intracellular lipid binding proteins

2014 ◽  
Vol 1844 (7) ◽  
pp. 1268-1278 ◽  
Author(s):  
Laura Ragona ◽  
Katiuscia Pagano ◽  
Simona Tomaselli ◽  
Filippo Favretto ◽  
Alberto Ceccon ◽  
...  
Keyword(s):  
Ligand Exchange ◽  
Binding Proteins ◽  
Lipid Binding ◽  
Intracellular Lipid ◽  
Lipid Binding Proteins

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

A meta-analysis and review examining a possible role for oxidative stress and singlet oxygen in diverse diseases

2017 ◽  
Vol 474 (16) ◽  
pp. 2713-2731 ◽  
Author(s):  
Athinoula L. Petrou ◽  
Athina Terzidaki
Keyword(s):  
Oxidative Stress ◽  
Excited State ◽  
Singlet Oxygen ◽  
Ground State ◽  
Meta Analysis ◽  
Common Mechanism ◽  
High Electron ◽  
A Value ◽  
First Excited State

From kinetic data (k, T) we calculated the thermodynamic parameters for various processes (nucleation, elongation, fibrillization, etc.) of proteinaceous diseases that are related to the β-amyloid protein (Alzheimer's), to tau protein (Alzheimer's, Pick's), to α-synuclein (Parkinson's), prion, amylin (type II diabetes), and to α-crystallin (cataract). Our calculations led to ΔG≠ values that vary in the range 92.8–127 kJ mol−1 at 310 K. A value of ∼10–30 kJ mol−1 is the activation energy for the diffusion of reactants, depending on the reaction and the medium. The energy needed for the excitation of O2 from the ground to the first excited state (1Δg, singlet oxygen) is equal to 92 kJ mol−1. So, the ΔG≠ is equal to the energy needed for the excitation of ground state oxygen to the singlet oxygen (1Δg first excited) state. The similarity of the ΔG≠ values is an indication that a common mechanism in the above disorders may be taking place. We attribute this common mechanism to the (same) role of the oxidative stress and specifically of singlet oxygen, (1Δg), to the above-mentioned processes: excitation of ground state oxygen to the singlet oxygen, 1Δg, state (92 kJ mol−1), and reaction of the empty π* orbital with high electron density regions of biomolecules (∼10–30 kJ mol−1 for their diffusion). The ΔG≠ for cases of heat-induced cell killing (cancer) lie also in the above range at 310 K. The present paper is a review and meta-analysis of literature data referring to neurodegenerative and other disorders.

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