Design of a fluorescent host for monitoring multiple hydrogen-bonding interaction directly by intramolecular charge-transfer emission

1998 ◽  
pp. 1391-1396 ◽  
Author(s):  
Koji Araki ◽  
Ken-ichi Tada ◽  
Masanori Abe ◽  
Toshiki Mutai
Keyword(s):  
Hydrogen Bonding ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Hydrogen Bonding Interaction ◽  
Bonding Interaction ◽  
Multiple Hydrogen Bonding

Synergistic effect of hydrophobic and hydrogen bonding interaction-driven viologen–pyranine charge-transfer aggregates: adenosine monophosphate recognition

Soft Matter ◽  
2021 ◽  
Author(s):  
Redhills L. Narendran ◽  
Archita Patnaik
Keyword(s):  
Hydrogen Bonding ◽  
Charge Transfer ◽  
Self Assembly ◽  
Adenosine Monophosphate ◽  
Fine Tuning ◽  
Hydrogen Bonding Interaction ◽  
Stimuli Responsive ◽  
Bonding Interaction ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Synergy between non-covalent interactions directing and fine-tuning self-assembly of electronically and electrostatically complementary molecules in water into stimuli responsive microscale aggregates.

Radical Enzymes Control the Chemistry of Their Highly Reactive Intermediates Using the Quantum Coulombic Effect

2020 ◽  
Author(s):  
Hossein Khalilian ◽  
Gino A. DiLabio
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Orbital ◽  
Reactive Intermediates ◽  
Hydrogen Bonding Interaction ◽  
Orbital Ordering ◽  
Dynamic Nature ◽  
Radical Intermediate ◽  
Highest Occupied Molecular Orbital ◽  
Bonding Interaction ◽  
Close Proximity

Here, we report an exquisite strategy that the B12 enzymes exploit to manipulate the reactivity of their radical intermediate (Adenosyl radical). Based on the quantum-mechanic calculations, these enzymes utilize a little known long-ranged through space quantum Coulombic effect (QCE). The QCE causes the radical to acquire an electronic structure that contradicts the Aufbau Principle: The singly-occupied molecular orbital (SOMO) is no longer the highest-occupied molecular orbital (HOMO) and the radical is unable to react with neighbouring substrates. The dynamic nature of the enzyme and its structure is expected to be such that the reactivity of the radical is not restored until it is moved into close proximity of the target substrate. We found that the hydrogen bonding interaction between the nearby conserved glutamate residue and the ribose ring of Adenosyl radical plays a crucial role in manipulating the orbital ordering

Radical Enzymes Control the Chemistry of Their Highly Reactive Intermediates Using the Quantum Coulombic Effect

2020 ◽  
Author(s):  
Hossein Khalilian ◽  
Gino A. DiLabio
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Orbital ◽  
Reactive Intermediates ◽  
Hydrogen Bonding Interaction ◽  
Orbital Ordering ◽  
Dynamic Nature ◽  
Radical Intermediate ◽  
Highest Occupied Molecular Orbital ◽  
Bonding Interaction ◽  
Close Proximity

Here, we report an exquisite strategy that the B12 enzymes exploit to manipulate the reactivity of their radical intermediate (Adenosyl radical). Based on the quantum-mechanic calculations, these enzymes utilize a little known long-ranged through space quantum Coulombic effect (QCE). The QCE causes the radical to acquire an electronic structure that contradicts the Aufbau Principle: The singly-occupied molecular orbital (SOMO) is no longer the highest-occupied molecular orbital (HOMO) and the radical is unable to react with neighbouring substrates. The dynamic nature of the enzyme and its structure is expected to be such that the reactivity of the radical is not restored until it is moved into close proximity of the target substrate. We found that the hydrogen bonding interaction between the nearby conserved glutamate residue and the ribose ring of Adenosyl radical plays a crucial role in manipulating the orbital ordering

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