Orientational order of cholesteryl oleate in low-density lipoprotein observed by 2H-NMR

Treleaven, W. Dale; Parmar, Yashpal I.; Gorrissen, Heiner; Cushley, Robert J.

doi:10.1016/0005-2760(86)90135-9

Cited by 11 publications

(13 citation statements)

References 38 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…6 further illustrates that a majority of the CO molecules are in merely extended (u . 90°) conformations during the simulation, in line with the conclusions both based on 13 C NMR experiments (12) of unsaturated CEs and scattering experiments of saturated CEs in isotropic fluid phase (11). Yet, we also find a significant minority of the molecules to be in a kinked conformation, characterized by u , 60°.…”

Section: Intramolecular Orientational Orderingsupporting

confidence: 88%

“…1: one wherem mðtÞ is in parallel to the principal axis (director) of the molecule, and another wherem mðtÞ is perpendicular to it. The decay of the respective correlation functions, C par R ðtÞ and C perp R ðtÞ; allows comparison to 13 C NMR measurements (7,12). The C R (t) was calculated by averaging over molecules and all possible time origins (configurations of the system were saved every 10 ps).…”

Section: Discussionmentioning

confidence: 99%

“…However, aside from the final pathological accumulation to the lesions, the isotropic liquid phase characteristic to high temperatures is abundant in the LDL core ((4), and references therein). The isotropic phase of cholesteryl esters has been studied experimentally at the molecular level mostly by 2 H NMR, 13 C NMR, x-ray, and neutron diffraction. The isotropic phase, at temperatures relatively close to the phase transition temperature, is suggested to be characterized by groups of parallel molecules and merely extended conformations (10,11).…”

Section: Introductionmentioning

confidence: 99%

“…The isotropic phase, at temperatures relatively close to the phase transition temperature, is suggested to be characterized by groups of parallel molecules and merely extended conformations (10,11). In addition, relatively strong intermolecular interactions between unsaturated CEs have been suggested to reduce the motions of the fatty acyl chains between the ester and the double bond, whereas the mobility has been found to increase toward the chain ends (12,13).…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Atomistic Simulation Studies of Cholesteryl Oleates: Model for the Core of Lipoprotein Particles

Heikelä

Vattulainen

Hyvönen

2006

Biophysical Journal

View full text Add to dashboard Cite

We have conducted molecular dynamics simulations to gain insight into the atomic-scale properties of an isotropic system of cholesteryl oleate (CO) molecules. Cholesteryl esters are major constituents of low density lipoprotein particles, the key players in the formation of atherosclerosis, as well as the storage form of cholesterol. Here the aim is to clarify structural and dynamical properties of CO molecules under conditions, which are suggestive of those in the core of low density lipoprotein particles. The simulations in the fluid phase indicate that the system of CO molecules is characterized by an absence of translational order, as expected, while the orientational order between distinct CO molecules is significant at short distances, persisting over a molecular size. As for intramolecular properties, the bonds along the oleate chain are observed to be weakly ordered with respect to the sterol structure, unlike the bonds along the short hydrocarbon chain of cholesterol where the ordering is significant. The orientational distribution of the oleate chain as a whole with respect to the sterol moiety is of broad nature, having a major amount of extended and a less considerable proportion of bended structures. Distinct transient peaks at specific angles also appear. The diffusion of CO molecules is found to be a slow process and characterized by a diffusion coefficient of the order of 2x10(-9) cm2/s. This is considerably slower than diffusion, e.g., in ordered domains of lipid membranes rich in sphingomyelin and cholesterol. Analysis of the rotational diffusion rates and trans-to-gauche transition rates yield results consistent with experiments.

show abstract

Section: Intramolecular Orientational Orderingsupporting

confidence: 88%

Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Atomistic Simulation Studies of Cholesteryl Oleates: Model for the Core of Lipoprotein Particles

Heikelä

Vattulainen

Hyvönen

2006

Biophysical Journal

View full text Add to dashboard Cite

show abstract

“…Recently, our laboratory has obtained both static and dynamic information on lipids located in both the monolayer and core regions of human lipoproteins using 2H and 31P NMR. Through the use of selectively deuterated lipids, details on acyl chain ordering and spin-lattice relaxation rates have been obtained for the surfaces of VLDL (Chana et al, 1990), HDLz (Parmar, 1985, and HDL3 (Parmar et al, 1985), for the surface and core regions of LDL (Treleaven et al, 1986;Chana et al, 1990), and for the surface and core of reconstituted HDL Parmar et al, 1983). These studies revealed the presence of two domains of phospholipid in VLDL and two domains of both phospholipid and cholesteryl ester in LDL in which the organization differs considerably, one ~~…”

mentioning

confidence: 98%

Structure and motion of phospholipids in human plasma lipoproteins. A phosphorus-31 NMR study

Fenske¹,

Chana²,

Parmar³

et al. 1990

Biochemistry

Self Cite

View full text Add to dashboard Cite

The structure and motion of phospholipids in human plasma lipoproteins have been studied by using 31P NMR. Lateral diffusion coefficients, DT, obtained from the viscosity dependence of the 31P NMR line widths, were obtained for very low density lipoprotein (VLDL), low-density lipoprotein (LDL), high-density lipoproteins (HDL2, HDL3), and egg PC/TO microemulsions at 25 degrees C, for VLDL at 40 degrees C, and for LDL at 45 degrees C. At 25 degrees C, the rate of lateral diffusion in LDL (DT = 1.4 x 10(-9) cm2/s) is an order of magnitude slower than in the HDLs (DT = 2 x 10(-8) cm2/s). At 45 degrees C, DT for LDL increases to 1.1 x 10(-8) cm2/s. In contrast, DT for VLDL increases only slightly going from 25 to 40 degrees C. The large increase in diffusion rate observed in LDL occurs over the same temperature range as the smectic to disordered phase transition of the core cholesteryl esters, and provides evidence for direct interactions between the monolayer and core. In order to prove the orientation and/or order of the phospholipid head-group, estimates of the residual chemical shift anistropy, delta sigma, have been obtained for all the lipoproteins and the microemulsions from the viscosity and field dependence of the 31P NMR line widths. For VLDL and LDL, the anisotropy is 47-50 ppm at 25 degrees C, in agreement with data from phospholipid bilayers. For the HDLs, however, significantly larger values of 69-75 ppm (HDL2) and greater than 120 ppm (HDL3) were obtained.(ABSTRACT TRUNCATED AT 250 WORDS)

show abstract

Characterization of Native and Drug‐Loaded Human Low Density Lipoproteins

Westesen

Gerke

Koch

1995

Journal of Pharmaceutical Sciences

View full text Add to dashboard Cite

Orientational order of cholesteryl oleate in low-density lipoprotein observed by 2H-NMR

Cited by 11 publications

References 38 publications

Atomistic Simulation Studies of Cholesteryl Oleates: Model for the Core of Lipoprotein Particles

Atomistic Simulation Studies of Cholesteryl Oleates: Model for the Core of Lipoprotein Particles

Structure and motion of phospholipids in human plasma lipoproteins. A phosphorus-31 NMR study

Characterization of Native and Drug‐Loaded Human Low Density Lipoproteins

Contact Info

Product

Resources

About