scholarly journals Tubular and lamellar hydrogen-bonding molecular assemblies of isophthalic acid derivatives bearing a –CONHCnH2n+1 chain

RSC Advances ◽  
2018 ◽  
Vol 8 (39) ◽  
pp. 22250-22258 ◽  
Author(s):  
Chao Lv ◽  
Takashi Takeda ◽  
Norihisa Hoshino ◽  
Tomoyuki Akutagawa
Keyword(s):  
Hydrogen Bonding ◽  
Liquid Crystal ◽  
Isophthalic Acid ◽  
Molecular Assembly ◽  
Crystal Formation ◽  
Molecular Assemblies

Isophthalic acid derivatives (CnIP), bearing alkylamide chains at the 5-position that can participate in hydrogen bonding, were prepared and evaluated for their hydrogen-bonding molecular assembly structures for organogelation and liquid crystal formation.

scholarly journals The Grapefruit Effect: Interaction between Cytochrome P450 and Coumarin Food Components, Bergamottin, Fraxidin and Osthole. X-ray Crystal Structure and DFT Studies

Molecules ◽  
2020 ◽  
Vol 25 (14) ◽  
pp. 3158
Author(s):  
Miriam Rossi ◽  
Sandjida Aktar ◽  
Marissa Davis ◽  
Emily Hefter Feuss ◽  
Samara Roman-Holba ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Cytochrome P450 ◽  
Intermolecular Interactions ◽  
Active Site ◽  
Molecular Assembly ◽  
Geometrical Parameters ◽  
Crystal Formation ◽  
Strong Inhibitor ◽  
Π Stacking

Coumarins are plant-derived secondary metabolites. The crystal structure of three coumarins—bergamottin, osthole and fraxidin—are described and we analyze intermolecular interactions and their role in crystal formation. Bergamottin is a furanocoumarin found in citrus plants, which is a strong inhibitor of the principal human metabolizing enzyme, cytochrome P450 3A4 (CYP3A4). The crystal structure determinations of three coumarins give us the geometrical parameters and reveal the parallel-displaced π–π stacking and hydrogen bonding intermolecular interactions used for molecular assembly in the crystal structure. A quite strong (less than 3.4 Å) stacking interaction of bergamottin appears to be a determining feature that distinguishes it from other coumarins studied in this work. Our DFT computational studies on the three natural products of the same coumarin family docked into the active site of CYP3A4 (PDB 4D78) show different behavior for these coumarins at the active site. When the substrate is bergamottin, the importance of π-π stacking and hydrogen bonding, which can anchor the substrate in place, appears fundamental. In contrast, fraxidin and osthole show carbonyl coordination to iron. Our docking calculations show that the bergamottin tendency towards π–π stacking is important and likely influences its interactions with the heme group of CYP3A4.

A chiral–racemic lyotropic chromonic liquid crystal system

Soft Matter ◽  
2021 ◽  
Author(s):  
Jordan K. Ando ◽  
Peter J. Collings
Keyword(s):  
Liquid Crystal ◽  
Optical Microscopy ◽  
Orientational Order ◽  
Molecular Assemblies ◽  
Polarized Optical Microscopy ◽  
Crystal System ◽  
System P ◽  
Liquid Crystal System

A lyotropic chromonic liquid crystal consists of oriented molecular assemblies in solution. If the molecules are chiral, the helical pattern of orientational order is revealed by the stripes seen with polarized optical microscopy.

scholarly journals Relationship between Liquid Crystal Formation and Conformations of Twin Components in Liquid Crystalline Binary Systems.

1999 ◽  
Vol 56 (6) ◽  
pp. 341-349 ◽  
Author(s):  
Seiji UJIIE ◽  
Hiroko UCHINO ◽  
Kazuyoshi IIMURA ◽  
Moriyuki SATO
Keyword(s):  
Liquid Crystal ◽  
Liquid Crystalline ◽  
Binary Systems ◽  
Crystal Formation

Aggregation and lyotropic liquid crystal formation of anionic azo dyes for textile fibres

1996 ◽  
pp. 83-106 ◽  
Author(s):  
D. J. Edwards ◽  
A. P. Ormerod ◽  
G. J. T. Tiddy ◽  
A. A. Jaber ◽  
A. Mahendrasingham
Keyword(s):  
Liquid Crystal ◽  
Azo Dyes ◽  
Lyotropic Liquid Crystal ◽  
Crystal Formation ◽  
Textile Fibres

Mechanochemical nanoparticle functionalization for liquid crystal nanocomposites based on COOH-pyridine heterosynthons

2018 ◽  
Vol 6 (7) ◽  
pp. 1789-1796 ◽  
Author(s):  
M. Roohnikan ◽  
M. Lindner-D'Addario ◽  
V. Toader ◽  
A. Rey ◽  
D. Tan ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Liquid Crystal

Nanoparticle/liquid crystal (NP/LC) composites can be stabilized by hydrogen bonding, a relatively strong, yet reversible interaction allowing for the annealing of defects.

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