Structural analogy between beta ' triacylglycerols and n-alkanes. Toward the crystal structure of beta '-2 p.p+2.p triacylglycerols Version 4.0

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Structural analogy between beta ' triacylglycerols and n-alkanes. Toward the crystal structure of beta '-2 p.p+2.p triacylglycerols
van de Streek J, Verwer P, de Gelder R, Hollander F
JOURNAL OF THE AMERICAN OIL CHEMISTS SOCIETY 76: (11) 1333-1341 NOV 1999

Document type: Article

Language: English

Cited References: 27

Times Cited: 0

Abstract:
The structural elements of the beta'-2 polymorph of 1,3-dilauroyl-2-myristoylglycerol as found by Birker et al. ii. Am. Oil Chem. Sec. 68:895-906,1991) were also observed in the crystal structures of other long-chain compounds. This analogy led to the assembly of a beta'-2 structure at the atomic level from known crystallographic data. The structure was optimized by molecular mechanics and was consistent with experimental data, including satisfactory reproduction of the X-ray powder pattern. To the best of our knowledge, this is the first beta' structure with a 1,2 configuration and an intramolecular orthorhombic subcell which is fully optimized by molecular mechanics to date. it shows all structural elements found earlier by Birker et al.

Author Keywords:
beta ', crystal structure, fat, molecular modeling, powder diffraction, triacylglycerol

KeyWords Plus:
MOLECULAR-STRUCTURE, MEMBRANE-LIPIDS, X-RAY, PACKING, CONFORMATION, DIFFRACTION, ACID

Addresses:
van de Streek J, Univ Nijmegen, CAOS CAMM Ctr, Toernooiveld 1, NL-6525 ED Nijmegen, Netherlands.
Univ Nijmegen, CAOS CAMM Ctr, NL-6525 ED Nijmegen, Netherlands.
Univ Nijmegen, Dept Solid State Chem, NL-6525 ED Nijmegen, Netherlands.
Univ Nijmegen, Crystallog Lab, NL-6525 ED Nijmegen, Netherlands.

Publisher:
AMER OIL CHEMISTS SOC A O C S PRESS, CHAMPAIGN

IDS Number:
256RC

ISSN:
0003-021X

Article 2 of 38