(I) The effects of cis and trans unsaturation on the conformation and irregular packing of long fatty acid chains will be studied by low temperature X-ray structure determination of cholesteryl alkenoates.
The aim i s to formulate structural principles for models of lipid agg regates such as the interior of biomembranes and lipoprotein particles. (II) The dynamical properties of semi-rigid systems, such as the fused rings of cholesterol will be studied by correlating small conformational deformations in many crystal structures with non-rigid anisotropic thermal vibrations. (III) The distribution of charge density and electrostatic potential in simple polar lipids will be determined by low temperature X-ray and neutron diffraction. We will study alkane dicarboxylic acids (HOOC(CH2)nCOOOH, n = 4, 6, 8] and their Li+, Na+, Mg2+ salts. From the simple crystal bilayers, we plan extrapolations to more complex micellar structures characteristic of surfactants.

Agency
National Institute of Health (NIH)
Institute
National Heart, Lung, and Blood Institute (NHLBI)
Type
Research Project (R01)
Project #
5R01HL020350-09
Application #
3336111
Study Section
Biophysics and Biophysical Chemistry A Study Section (BBCA)
Project Start
1976-12-01
Project End
1989-06-30
Budget Start
1986-07-01
Budget End
1987-06-30
Support Year
9
Fiscal Year
1986
Total Cost
Indirect Cost
Name
University of Pittsburgh
Department
Type
Schools of Arts and Sciences
DUNS #
053785812
City
Pittsburgh
State
PA
Country
United States
Zip Code
15213
Luo, J Q; Ruble, J R; Craven, B M et al. (1996) Effects of H/D substitution on thermal vibrations in piperazinium hexanoate-h11, d11. Acta Crystallogr B 52 ( Pt 2):357-68
Luo, J Q; Ruble, J R; Craven, B M (1995) Crystal structure of piperazinium oleate at -150 degrees C. J Lipid Res 36:332-42
Kampermann, S P; Sabine, T M; Craven, B M et al. (1995) Hexamethylenetetramine: extinction and thermal vibrations from neutron diffraction at six temperatures. Acta Crystallogr A 51 ( Pt 4):489-97
Langs, D A; Miller, R; Hauptman, H A et al. (1995) Use of the minimal function for partial structure development in direct methods. Acta Crystallogr A 51 ( Pt 1):81-7
Han, G W; Ruble, J R; Craven, B M (1994) The crystal structure of 1,2-dipalmitoyl-sn-glycerol at 123 K. Chem Phys Lipids 71:219-28
Gao, Q; Weber, H P; Craven, B M et al. (1994) Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data. Acta Crystallogr B 50 ( Pt 6):695-703
Kampermann, S P; Ruble, J R; Craven, B M (1994) The charge-density distribution in hexamethylenetetramine at 120 K. Acta Crystallogr B 50 ( Pt 6):737-41
Han, G W; Craven, B M; Langs, D A (1994) Crystal structure of cholesteryl butanoate at 123 K. J Lipid Res 35:2069-82
Terpstra, M; Craven, B M; Stewart, R F (1993) Hexamethylenetetramine at 298 K: new refinements. Acta Crystallogr A 49 ( Pt 5):685-92
He, X M; Craven, B M (1993) Internal vibrations of a molecule consisting of rigid segments. I. Non-interacting internal vibrations. Acta Crystallogr A 49 ( Pt 1):10-22

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