Understanding alcohol aggregates and the water hydrogen bond network towards miscibility in alcohol solutions: graph theoretical analysis

2020 ◽  
Vol 22 (30) ◽  
pp. 17181-17195
Author(s):  
Seungeui Choi ◽  
Saravanan Parameswaran ◽  
Jun-Ho Choi
Keyword(s):  
Hydrogen Bond ◽  
Theoretical Analysis ◽  
Water Structure ◽  
Hydrogen Bond Network ◽  
Graph Theoretical Analysis ◽  
Bond Network ◽  
Water Hydrogen

Morphologically distinct alcohol aggregates are proposed as water-compatible and water-incompatible depending upon their interaction with water H-bond network, while the former disrupt water structure and the later preferentially self-associate.

Configurational Disorder of Water Hydrogen-Bond Network at the Protein Dynamical Transition

2017 ◽  
Vol 121 (28) ◽  
pp. 6792-6798 ◽  
Author(s):  
Obaidur Rahaman ◽  
Maria Kalimeri ◽  
Marina Katava ◽  
Alessandro Paciaroni ◽  
Fabio Sterpone
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bond Network ◽  
Dynamical Transition ◽  
Bond Network ◽  
Water Hydrogen

Effects of Molecular Shape on Alcohol Aggregation and Water Hydrogen Bond Network Behavior in Butanol Isomer Solutions

2021 ◽  
Author(s):  
Seungeui Choi ◽  
Saravanan Parameswaran ◽  
Jun-Ho Choi
Keyword(s):  
Phase Diagram ◽  
Hydrogen Bond ◽  
Liquid Phase ◽  
Molecular Shape ◽  
Hydrogen Bond Network ◽  
Network Behavior ◽  
Chemical Formula ◽  
Tert Butanol ◽  
Bond Network ◽  
Water Hydrogen

Despite that butanol isomers such as n-butanol, sec-butanol, isobutanol and tert-butanol have the same chemical formula, their liquid-liquid phase diagram is distinct. That is, the tert-butanol is miscible in water...

scholarly journals Biased GsVersusGqProteins and β-Arrestin Signaling in the NK1 Receptor Determined by Interactions in the Water Hydrogen Bond Network

2015 ◽  
Vol 290 (40) ◽  
pp. 24495-24508 ◽  
Author(s):  
Louise Valentin-Hansen ◽  
Thomas M. Frimurer ◽  
Jacek Mokrosinski ◽  
Nicholas D. Holliday ◽  
Thue W. Schwartz
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bond Network ◽  
Nk1 Receptor ◽  
Bond Network ◽  
Water Hydrogen

scholarly journals Unusual Water Hydrogen Bond Network around Hydrogenated Nanodiamonds

2017 ◽  
Vol 121 (9) ◽  
pp. 5185-5194 ◽  
Author(s):  
Tristan Petit ◽  
Ljiljana Puskar ◽  
Tatiana Dolenko ◽  
Sneha Choudhury ◽  
Eglof Ritter ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bond Network ◽  
Bond Network ◽  
Water Hydrogen
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