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

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.

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

Femtosecond Spectroscopy of a 13-Demethylrhodopsin Visual Pigment Analogue:  The Role of Nonbonded Interactions in the Isomerization Process

1996 ◽  
Vol 100 (43) ◽  
pp. 17388-17394 ◽  
Author(s):  
Qing Wang ◽  
Gerd G. Kochendoerfer ◽  
Robert W. Schoenlein ◽  
Peter J. E. Verdegem ◽  
Johan Lugtenburg ◽  
...  
Keyword(s):  
Visual Pigment ◽  
Femtosecond Spectroscopy ◽  
Nonbonded Interactions ◽  
Isomerization Process

scholarly journals Designing single-crystal-to-single-crystal Diels–Alder reactions: the role of nonbonded interactions

2016 ◽  
Vol 72 (a1) ◽  
pp. s130-s130
Author(s):  
Demetrius C. Levendis ◽  
Sanaz Khorasani ◽  
Delbert Botes ◽  
Manuel A. Fernandes
Keyword(s):  
Single Crystal ◽  
Diels Alder ◽  
Nonbonded Interactions

CNT-Confinement Effects on the Menshutkin SN2 Reaction: The Role of Nonbonded Interactions

2016 ◽  
Vol 12 (8) ◽  
pp. 4082-4092 ◽  
Author(s):  
Pietro Giacinto ◽  
Francesco Zerbetto ◽  
Andrea Bottoni ◽  
Matteo Calvaresi
Keyword(s):  
Confinement Effects ◽  
Nonbonded Interactions ◽  
Sn2 Reaction
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