Abstract

The structural aspects of lyotropic and thermotropic liquid crystal phase transitions of the carbohydrate mesogens will be studied by X-ray diffraction using the rotating target/area detector NIH shared-instrument facility, by optical polarizing microscopy, and by C13 solid-state nmr spectroscopy. The systematics and pattern characteristics of hydrogen bonding in peptide, glycopeptide and polysaccharide crystal structures will be investigated using the Cambridge Crystallographic Data Base and published research. The ab-initio molecular orbital calculations relating to the configurational and conformational consequences of the anomeric effect and the conformational effect of syn-diaxial interactions will be studied using pyranose and furanose molecules, rather than acyclic models, by means of the CRAY-XMP48 computer at the Pittsburgh Supercomputing Center.

  Funding Agency

Agency
National Institute of Health (NIH)
Institute
National Institute of General Medical Sciences (NIGMS)
Type
Research Project (R01)
Project #
5R01GM024526-13
Application #
3272384
Study Section
Molecular and Cellular Biophysics Study Section (BBCA)
Project Start
1978-01-01
Project End
1990-12-31
Budget Start
1990-01-01
Budget End
1990-12-31
Support Year
13
Fiscal Year
1990
Total Cost
Indirect Cost

  Institution

Name
University of Pittsburgh
Department
Type
Schools of Arts and Sciences
DUNS #
053785812
City
Pittsburgh
State
PA
Country
United States
Zip Code
15213

  Publications

Jeffrey, G A; Huang, D B; Pfeffer, P E et al. (1992) Crystal structure and n.m.r. analysis of lactulose trihydrate. Carbohydr Res 226:29-42
Jeffrey, G A; Huang, D B (1992) The crystal structure of D-threitol at 119 K and 198 K. Carbohydr Res 223:11-8
Jeffrey, G A; Huang, D B (1991) Hydrogen bonding in the crystal structure of the tetrasaccharide stachyose hydrate: a 1:1 complex of two conformers. Carbohydr Res 210:89-104
Jeffrey, G A; Huang, D B (1991) Hydrogen bonding in the crystal structure of alpha,beta-panose. Carbohydr Res 222:47-55
Jeffrey, G A; Yeon, Y (1990) Structure of 3,4,5-trihydroxybenzoic acid octyl ester (octyl gallate) dihydrate at 123 K. A non-mesogenic amphiphilic molecule. Acta Crystallogr B 46 ( Pt 4):519-24
Jeffrey, G A; Huang, D B (1990) The hydrogen bonding in the crystal structure of raffinose pentahydrate. Carbohydr Res 206:173-82
Jeffrey, G A; Maluszynska, H (1990) The stereochemistry of the water molecules in the hydrates of small biological molecules. Acta Crystallogr B 46 ( Pt 4):546-9
Jeffrey, G A; Maluszynska, H (1990) The crystal structure and thermotropic liquid-crystal properties of N-n-undecyl-D-gluconamide. Carbohydr Res 207:211-9
Chung, Y J; Jeffrey, G A (1989) The lyotropic liquid crystal properties of n-octyl 1-O-beta-D-glucopyranoside and related n-alkyl pyranosides. Biochim Biophys Acta 985:300-6
Jeffrey, G A; Maluszynska, H (1989) The structures of 1-deoxy-(N-methyloctanamido)-D-glucitol (MEGA-8) and 1-deoxy-(N-methylundecanamido)-D-glucitol (MEGA-11). Acta Crystallogr B 45 ( Pt 4):447-52

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