New Lipid Family That Forms Inverted Cubic Phases in Equilibrium with Excess Water: Molecular Structure−Aqueous Phase Structure Relationship for Lipids with 5,9,13,17-Tetramethyloctadecyl and 5,9,13,17-Tetramethyloctadecanoyl Chains

2008 ◽  
Vol 112 (39) ◽  
pp. 12286-12296 ◽  
Author(s):  
Jun Yamashita ◽  
Manzo Shiono ◽  
Masakatsu Hato
Keyword(s):  
Molecular Structure ◽  
Aqueous Phase ◽  
Phase Structure ◽  
Cubic Phases ◽  
Excess Water ◽  
Structure Relationship

Monitoring technical lignin partition in aqueous/alcohol biphasic systems according to pH: influences of the molecular structure and solvent characteristics

2020 ◽  
Vol 22 (20) ◽  
pp. 7031-7046
Author(s):  
Quentin Schmetz ◽  
Claire Muzyka ◽  
Thomas Berchem ◽  
Aurore Richel
Keyword(s):  
Molecular Structure ◽  
Aqueous Phase ◽  
Aqueous Alcohol ◽  
Technical Lignin ◽  
Biphasic Systems

This study deals with the comprehension of lignin partition in biphasic systems constituted of an alkaline aqueous phase containing dissolved lignin and a non-miscible alcohol phase.

Submicron Dispersions of Hexosomes Based on Novel Glycerate Surfactants

2005 ◽  
Vol 58 (9) ◽  
pp. 683 ◽  
Author(s):  
Celesta Fong ◽  
Irena Krodkiewska ◽  
Darrell Wells ◽  
Ben J. Boyd ◽  
James Booth ◽  
...  
Keyword(s):  
Structural Characteristics ◽  
Hexagonal Phase ◽  
Phase Behaviour ◽  
Finite Degree ◽  
Micellar Phase ◽  
Subtle Change ◽  
Ambient Temperatures ◽  
New Class ◽  
Cubic Phases ◽  
Excess Water

Glycerate-based surfactants are a new class of swelling amphiphiles which swell to a finite degree with water. Among this class of surfactants, oleyl (cis-octadec-9-enyl) glycerate is very similar in structure to a well characterized mesophase-forming lipid, glyceryl monooleate (GMO). Despite the similar structural characteristics, a subtle change in connectivity of the ester bond substantially alters the binary surfactant–water phase behaviour. Whereas the phase behaviour of GMO is diverse and dominated by cubic phases, the phase behaviour of oleyl glycerate and a terpenoid analogue phytanyl (3,7,11,15-tetramethyl-hexadecane) glycerate is much simplified. Both exhibit an inverse hexagonal phase (HII), which is stable to dilution with excess water, and an inverse micellar phase (LII) at ambient temperatures. The inverse hexagonal phases formed by oleyl glycerate and phytanyl glycerate have been characterized using SAXS. Analogous to GMO cubosomes, the inverse hexagonal phase of phytanyl glycerate has been dispersed to form hexagonally facetted particles, termed hexosomes, whose structure has been verified using cryo-TEM.

scholarly journals Aqueous phase behaviour of choline carboxylate surfactants—exceptional variety and extent of cubic phases

Soft Matter ◽  
2011 ◽  
Vol 7 (15) ◽  
pp. 6973 ◽  
Author(s):  
Regina Klein ◽  
Gordon J. T. Tiddy ◽  
Eva Maurer ◽  
Didier Touraud ◽  
Jordi Esquena ◽  
...  
Keyword(s):  
Aqueous Phase ◽  
Phase Behaviour ◽  
Cubic Phases

Determination of the aqueous-phase structure of 6-O-methylerythromycin from NMR constraints

2001 ◽  
Vol 39 (4) ◽  
pp. 163-172 ◽  
Author(s):  
Wayne E. Steinmetz ◽  
Jack D. Sadowsky ◽  
Jeffrey S. Rice ◽  
John J. Roberts ◽  
Yen K. Bui
Keyword(s):  
Aqueous Phase ◽  
Phase Structure

Chemical reactivity and molecular structure relationship of highly strained cage oxetanes

1983 ◽  
Vol 48 (16) ◽  
pp. 2728-2733 ◽  
Author(s):  
Kazunobu Harano ◽  
Yasushi Okamoto ◽  
Masami Yasuda ◽  
Kaoru Ueyama ◽  
Ken Kanematsu
Keyword(s):  
Molecular Structure ◽  
Chemical Reactivity ◽  
Structure Relationship ◽  
Highly Strained ◽  
Relationship Of

scholarly journals Theoretical investigation of the molecular structure and molecular docking of naratriptan

2020 ◽  
Vol 85 (10) ◽  
pp. 1291-1301
Author(s):  
Wendolyne López-Orozco ◽  
Reyes Rios ◽  
Huizar Mendoza
Keyword(s):  
Molecular Structure ◽  
Molecular Docking ◽  
Aqueous Phase ◽  
Chemical Study ◽  
Docking Studies ◽  
Reactivity Descriptors ◽  
Chemical Behaviour ◽  
Global And Local ◽  
5Ht1b Receptor ◽  
Local Reactivity Descriptors

In this work, a computational chemical study of the naratriptan was carried out at the X/DGDZVP (where X = B3LYP, M06, M06L and ?B97XD) level of theory, the results suggest the existence of two possible conformers in the aqueous phase. The evaluation of the global and local reactivity descriptors indicates that both conformers show the same chemical behaviour. The docking studies reveal that both conformers bind to TYR359 residue of the 5HT1B receptor. Also, the first conformer binds to the receptor through THR209 and THR213 while the second one through THR209 and SER 212.

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