(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.
| 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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