Toward an amphiphilic bilirubin: The crystal structure of a bilirubin E-isomer

Journal of Organic Chemistry

Volumn 73, Issue 7, 2008, Pages 2704-2714

  Dey, Sanjeev K ^a   Lightner, David A ^a  

^a UNIVERSITY OF NEVADA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; CRYSTALLIZATION; SPECTROSCOPIC ANALYSIS; SUBSTITUTION REACTIONS; SYNTHESIS (CHEMICAL);

CARBOXYL GROUPS; PROPIONIC ACIDS;

ISOMERS;

ALCOHOL; AMPHOPHILE; BILIRUBIN; CARBOXYL GROUP; PROPIONIC ACID;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; CRYSTAL STRUCTURE; CRYSTALLIZATION; HYDROGEN BOND; ISOMER; LIGHT; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ROOM TEMPERATURE; SOLUBILITY; SYNTHESIS; VAPOR PRESSURE; X RAY CRYSTALLOGRAPHY;

BILIRUBIN; CIRCULAR DICHROISM; CRYSTALLIZATION; CRYSTALLOGRAPHY, X-RAY; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SPECTROPHOTOMETRY, ULTRAVIOLET; STEREOISOMERISM; THERMODYNAMICS;

EID: 41649087402     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo702593x     Document Type: Article

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64. The molecular dynamics calculations used to find the global energy minimum conformations of 1 were run on an SGI Octane workstation using vers. 7.1 of the Sybyl forcefield as described in ref 11. The Ball and Stick drawings were created from the atomic coordinates using Müller and Falk's "Ball and Stick" program for the Macintosh (http://www.orc.uni-Linz. ac.at/mueller/ball_stick.html).