Vibrational Relaxation and Energy Migration of N-Methylacetamide in Water: The Role of Nonbonded Interactions

2015 ◽  
Vol 119 (7) ◽  
pp. 3112-3122 ◽  
Author(s):  
Pierre-André Cazade ◽  
Florent Hédin ◽  
Zhen-Hao Xu ◽  
Markus Meuwly
Keyword(s):  
Vibrational Relaxation ◽  
Energy Migration ◽  
Nonbonded Interactions

Ultrafast Experiments on the Photodissociation, Recombination, and Vibrational Relaxation of I2-: Role of Solvent-Induced Solute Charge Flow

1995 ◽  
Vol 99 (19) ◽  
pp. 7568-7580 ◽  
Author(s):  
Peter K. Walhout ◽  
Joseph C. Alfano ◽  
Khalid A. M. Thakur ◽  
Paul F. Barbara
Keyword(s):  
Vibrational Relaxation ◽  
Charge Flow ◽  
Role Of Solvent

Tosylate salts of the anticancer drug lapatinib

2013 ◽  
Vol 69 (12) ◽  
pp. 1516-1523 ◽  
Author(s):  
K. Ravikumar ◽  
B. Sridhar ◽  
Jagadeesh Babu Nanubolu ◽  
A. K. S. Bhujanga Rao ◽  
R. Jyothiprasad
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Physicochemical Properties ◽  
Anticancer Drug ◽  
Ring System ◽  
Nonbonded Interactions ◽  
One Dimensional ◽  
Drug Products ◽  
Ring Motif

Two tosylate salts of an anticancer drug lapatinib,viz. a monotosylate [systematic name: ({5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-yl}methyl)[2-(methylsulfonyl)ethyl]azanium 4-methylbenzenesulfonate], C29H27ClFN4O4S+·C7H7O3S−, (I), and a ditosylate [systematic name: 4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-]5-({[2-(methylsulfonyl)ethyl]azaniumyl}methyl)furan-2-yl[quinazolin-1-ium bis(4-methylbenzenesulfonate)], C29H28ClFN4O4S2+·2C7H7O3S−, (II), were obtained during crystallization attempts for polymorphism. In both structures, the lapatinib cation is in a distorted U-like conformation and the tosylate anion is clamped between the aniline N atom and methylamine N atom through N—H...O hydrogen bonds, forming anR22(15) ring motif. The 4-anilinoquinazoline ring system is essentially planar in (I), while it is twisted in (II), controlled by an intramolecular C—H...N interaction. In (I), alternating cations and anions are linked by N—H...O hydrogen bonds intoC22(6) chains. These chains are linked by cations in a helical manner. The presence of the additional tosylate anion in (II) results in the formation of one-dimensional tapes of fused hydrogen-bonded rings through N—H...O and C—H...O interactions. These studies augment our understanding of the role of nonbonded interactions in the solid state, which is useful for correlation to the physicochemical properties of drug products.

The role of CN and CO ligands in the vibrational relaxation dynamics of model compounds of the [FeFe]-hydrogenase enzyme

2011 ◽  
Vol 13 (21) ◽  
pp. 10295 ◽  
Author(s):  
Spyridon Kaziannis ◽  
Joseph A. Wright ◽  
Marco Candelaresi ◽  
Rafal Kania ◽  
Gregory M. Greetham ◽  
...  
Keyword(s):  
Vibrational Relaxation ◽  
Relaxation Dynamics ◽  
Model Compounds ◽  
Hydrogenase Enzyme

The role of rotation in the vibrational relaxation of diatomic molecules

1988 ◽  
Vol 119 (2-3) ◽  
pp. 307-324 ◽  
Author(s):  
John J. Tanner ◽  
M.Matti Maricq
Keyword(s):  
Vibrational Relaxation ◽  
Diatomic Molecules

Role of attached polymer chains on the vibrational relaxation of aC60fullerene in aqueous solution

2005 ◽  
Vol 72 (8) ◽  
Author(s):  
Hojin Kim ◽  
Dmitry Bedrov ◽  
Grant D. Smith ◽  
Sergei Shenogin ◽  
Pawel Keblinski
Keyword(s):  
Aqueous Solution ◽  
Vibrational Relaxation ◽  
Polymer Chains

Role of Nonbonded Interactions in Determining Solution Conformations of Oligosaccharides

1994 ◽  
pp. 252-268 ◽  
Author(s):  
Robert J. Woods ◽  
Bert Fraser-Reid ◽  
Raymond A. Dwek ◽  
Christopher J. Edge
Keyword(s):  
Nonbonded Interactions ◽  
Solution Conformations
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