Location of Cholesterol in DMPC Membranes. A Comparative Study by Neutron Diffraction and Molecular Mechanics Simulation†

Alain Léonard; Céline Escrive; Michel Laguerre; Eva Pebay-Peyroula; Willfrid Néri; Tanja Pott; John Katsaras; Erick J. Dufourc

doi:10.1021/la001382p

Location of Cholesterol in DMPC Membranes. A Comparative Study by Neutron Diffraction and Molecular Mechanics Simulation†

Langmuir ◽

10.1021/la001382p ◽

2001 ◽

Vol 17 (6) ◽

pp. 2019-2030 ◽

Cited By ~ 89

Author(s):

Alain Léonard ◽

Céline Escrive ◽

Michel Laguerre ◽

Eva Pebay-Peyroula ◽

Willfrid Néri ◽

...

Keyword(s):

Neutron Diffraction ◽

Comparative Study ◽

Molecular Mechanics

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Micromechanical behaviour of Ni-based superalloys close to the yield point: a comparative study between neutron diffraction on different polycrystalline microstructures and crystal plasticity finite element modelling

Continuum Mechanics and Thermodynamics ◽

10.1007/s00161-018-0720-0 ◽

2018 ◽

Vol 31 (3) ◽

pp. 691-702 ◽

Cited By ~ 5

Author(s):

Jonas von Kobylinski ◽

Robert Lawitzki ◽

Michael Hofmann ◽

Christian Krempaszky ◽

Ewald Werner

Keyword(s):

Finite Element ◽

Neutron Diffraction ◽

Comparative Study ◽

Yield Point ◽

Crystal Plasticity ◽

Finite Element Modelling ◽

Element Modelling ◽

Crystal Plasticity Finite Element

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A skewed bicyclo[3.3.1]nonane. X-ray and neutron diffraction studies of 9-thiabicyclo[3.3.1]nonane-2,6-dione and molecular-mechanics calculations for bicyclo[3.3.1]nonane derivatives

Acta Crystallographica Section B ◽

10.1107/s0567740879004404 ◽

1979 ◽

Vol 35 (3) ◽

pp. 669-675 ◽

Cited By ~ 12

Author(s):

M. J. Bovill ◽

P. J. Cox ◽

H. P. Flitman ◽

M. H. P. Giu ◽

A. D. U. Hardy ◽

...

Keyword(s):

Neutron Diffraction ◽

Molecular Mechanics ◽

Molecular Mechanics Calculations ◽

X Ray

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Comparative study of the molecular structure of stilbene using molecular mechanics, Hartree–Fock and density functional theories

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00496-1 ◽

2001 ◽

Vol 549 (1-2) ◽

pp. 63-67 ◽

Cited By ~ 13

Author(s):

L. Claes ◽

S. Kwasniewski ◽

M.S. Deleuze ◽

J.-P. François

Keyword(s):

Molecular Structure ◽

Comparative Study ◽

Molecular Mechanics ◽

Density Functional ◽

Hartree Fock

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Comparative study of structural properties of trehalose water solutions by neutron diffraction, synchrotron radiation and simulation

Physica B Condensed Matter ◽

10.1016/j.physb.2004.03.098 ◽

2004 ◽

Vol 350 (1-3) ◽

pp. E367-E370 ◽

Cited By ~ 10

Author(s):

A Cesaro ◽

V Magazù ◽

F Migliardo ◽

F Sussich ◽

M Vadalà

Keyword(s):

Synchrotron Radiation ◽

Neutron Diffraction ◽

Comparative Study ◽

Structural Properties ◽

Water Solutions

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Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study

Acta Crystallographica Section B Structural Science ◽

10.1107/s0108768110031459 ◽

2010 ◽

Vol 66 (5) ◽

pp. 497-502 ◽

Cited By ~ 2

Author(s):

R. Chitra ◽

R. R. Choudhury

Keyword(s):

Neutron Diffraction ◽

Comparative Study ◽

Single Crystal ◽

Grown Crystal ◽

Piezoelectric Properties ◽

Isomorphous Substitution ◽

Crystal Properties

Crystals of the langasite family are of interest as they are piezoelectric in different devices. The properties of these classes of crystals can be modified within certain limits by isomorphous substitution. Single-crystal neutron diffraction studies were carried out for LGT (La3Ga5.5Ta0.5O14), LGST (La3Ga5.25Ta0.25Si0.5O14) and LGZrT (La3Ga5.25Ta0.25Zr0.5O14) as the neutron study gives a better average picture of the crystal properties over a macroscopic region of the grown crystal. The effect of small substitutions at various sites on the piezoelectric properties of the crystal was studied.

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A comparative study of an oscillatory phenomenon in solid state by radiochemical and neutron diffraction methods

Radiation Effects ◽

10.1080/00337578608207482 ◽

1985 ◽

Vol 88 (3-4) ◽

pp. 223-235 ◽

Cited By ~ 6

Author(s):

P. N. Dimotakis ◽

H. Papaefthymiou

Keyword(s):

Solid State ◽

Neutron Diffraction ◽

Comparative Study ◽

Oscillatory Phenomenon

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A comparative study of complexation of enalapril with α-, β- and γ-cyclodextrins in aqueous medium: structure elucidation of inclusion complexes using NMR spectroscopic and molecular mechanics methods

Journal of Inclusion Phenomena and Macrocyclic Chemistry ◽

10.1007/s10847-011-0005-8 ◽

2011 ◽

Vol 72 (3-4) ◽

pp. 413-421 ◽

Cited By ~ 4

Author(s):

Shania Khan ◽

Kehkeshan Fatma ◽

Syed Mashhood Ali

Keyword(s):

Comparative Study ◽

Aqueous Medium ◽

Molecular Mechanics ◽

Inclusion Complexes ◽

Structure Elucidation

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A comparative study of density functional calculations with experimental molecular mechanics and analysis of complexation between the sodium ion and lariat crown ethers

Journal of Molecular Structure ◽

10.1016/j.molstruc.2007.11.030 ◽

2008 ◽

Vol 888 (1-3) ◽

pp. 33-47 ◽

Cited By ~ 2

Author(s):

Chia-Ching Su

Keyword(s):

Comparative Study ◽

Molecular Mechanics ◽

Crown Ethers ◽

Density Functional Calculations ◽

Density Functional ◽

Sodium Ion

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A comparative study of two molecular mechanics models based on harmonic potentials

Journal of Applied Physics ◽

10.1063/1.4791579 ◽

2013 ◽

Vol 113 (6) ◽

pp. 063509 ◽

Cited By ~ 22

Author(s):

Junhua Zhao ◽

Lifeng Wang ◽

Jin-Wu Jiang ◽

Zhengzhong Wang ◽

Wanlin Guo ◽

...

Keyword(s):

Comparative Study ◽

Molecular Mechanics

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Ancient and historic steel in Japan, India and Europe, a non-invasive comparative study using thermal neutron diffraction

Analytical and Bioanalytical Chemistry ◽

10.1007/s00216-011-4854-1 ◽

2011 ◽

Vol 400 (5) ◽

pp. 1493-1500 ◽

Cited By ~ 28

Author(s):

F. Grazzi ◽

F. Civita ◽

A. Williams ◽

A. Scherillo ◽

E. Barzagli ◽

...

Keyword(s):

Neutron Diffraction ◽

Comparative Study ◽

Thermal Neutron ◽

Non Invasive

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