Conformational Analysis of Chain Molecules in Liquid Crystalline Phases by a Rotational Isomeric State Scheme with Maximum Entropy Method I. 1H-1H Dipolar Couplings from n-Alkanes Dissolved in a Nematic Solvent

Yuji Sasanuma

doi:10.1295/polymj.32.883

Conformational Analysis of Chain Molecules in Liquid Crystalline Phases by a Rotational Isomeric State Scheme with Maximum Entropy Method I. 1H-1H Dipolar Couplings from n-Alkanes Dissolved in a Nematic Solvent

Polymer Journal ◽

10.1295/polymj.32.883 ◽

2000 ◽

Vol 32 (10) ◽

pp. 883-889 ◽

Cited By ~ 7

Author(s):

Yuji Sasanuma

Keyword(s):

Conformational Analysis ◽

Isomeric State ◽

Liquid Crystalline ◽

Maximum Entropy Method ◽

Entropy Method ◽

Dipolar Couplings ◽

Chain Molecules ◽

Rotational Isomeric State ◽

Liquid Crystalline Phases ◽

Nematic Solvent

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Conformational Analysis of Chain Molecules in Liquid Crystalline Phases by a Rotational Isomeric State Scheme with Maximum Entropy Method II. 2H NMR Quadrupolar Splittings from n-Decane and 1,6-Dimethoxyhexane Dissolved in 4′-Methoxybenzylidene-4-n-butylaniline

Polymer Journal ◽

10.1295/polymj.32.890 ◽

2000 ◽

Vol 32 (10) ◽

pp. 890-894 ◽

Cited By ~ 3

Author(s):

Yuji Sasanuma

Keyword(s):

Conformational Analysis ◽

Isomeric State ◽

Liquid Crystalline ◽

Maximum Entropy Method ◽

Entropy Method ◽

2H Nmr ◽

Chain Molecules ◽

Rotational Isomeric State ◽

Liquid Crystalline Phases ◽

Quadrupolar Splittings

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Conformational Analysis of Amphiphilic Molecules Incorporated in Hexagonal, Lamellar, and Reversed Hexagonal Aggregates of a Ternary System of Sodium Octanoate, 1-Decanol, and Water by the Rotational Isomeric State Scheme Combined with the Maximum Entropy Method

Langmuir ◽

10.1021/la991115n ◽

2000 ◽

Vol 16 (15) ◽

pp. 6317-6326 ◽

Cited By ~ 4

Author(s):

Akihiro Suzuki ◽

Nobuyuki Miura ◽

Yuji Sasanuma

Keyword(s):

Ternary System ◽

Conformational Analysis ◽

Maximum Entropy ◽

Isomeric State ◽

Maximum Entropy Method ◽

Entropy Method ◽

Sodium Octanoate ◽

Rotational Isomeric State ◽

Amphiphilic Molecules

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A constrained maximum entropy method for the interpretation of experimental data: Application to the derivation of single particle orientation‐conformation distributions from the partially averaged nuclear spin dipolar couplings of n‐alkanes dissolved in a liquid crystalline solvent

The Journal of Chemical Physics ◽

10.1063/1.472945 ◽

1996 ◽

Vol 105 (23) ◽

pp. 10595-10605 ◽

Cited By ~ 10

Author(s):

D. Catalano ◽

J. W. Emsley ◽

G. La Penna ◽

C. A. Veracini

Keyword(s):

Experimental Data ◽

Maximum Entropy ◽

Single Particle ◽

Nuclear Spin ◽

Liquid Crystalline ◽

Maximum Entropy Method ◽

Entropy Method ◽

Dipolar Couplings ◽

Particle Orientation ◽

Data Application

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Conformational Analysis of 2,2′-Bithiophene Revisited: The Maximum Entropy Method Applied to Large Sets of H−H and13C−H Partially Averaged Dipolar Couplings

The Journal of Physical Chemistry A ◽

10.1021/jp911603t ◽

2010 ◽

Vol 114 (31) ◽

pp. 8114-8118 ◽

Cited By ~ 3

Author(s):

Giorgio Cinacchi

Keyword(s):

Conformational Analysis ◽

Maximum Entropy ◽

Maximum Entropy Method ◽

Entropy Method ◽

Dipolar Couplings ◽

Large Sets

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Refining the overall structure and subdomain orientation of ribosomal protein S4 Δ41 with dipolar couplings measured by NMR in uniaxial liquid crystalline phases 1 1Edited by P. E. Wright

Journal of Molecular Biology ◽

10.1006/jmbi.1999.3061 ◽

1999 ◽

Vol 292 (2) ◽

pp. 375-387 ◽

Cited By ~ 21

Author(s):

Michelle A Markus ◽

Resi B Gerstner ◽

David E Draper ◽

Dennis A Torchia

Keyword(s):

Ribosomal Protein ◽

Liquid Crystalline ◽

Dipolar Couplings ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Ribosomal Protein S4

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The validity of the rotational isomeric state model for short alkyl chains with large substituents: A maximum entropy analysis of the 1H dipolar couplings within the trimethylene group of a liquid crystal molecule

The Journal of Chemical Physics ◽

10.1063/1.468016 ◽

1994 ◽

Vol 101 (11) ◽

pp. 9246-9256 ◽

Cited By ~ 3

Author(s):

G. P. Drobny ◽

G. N. Shilstone ◽

D. Catalano ◽

C. A. Veracini ◽

H. Zimmermann

Keyword(s):

Liquid Crystal ◽

Maximum Entropy ◽

Isomeric State ◽

Dipolar Couplings ◽

Liquid Crystal Molecule ◽

State Model ◽

Entropy Analysis ◽

Alkyl Chains ◽

Rotational Isomeric State

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Conformational analysis and simulation of the structures of diisobutylsilanediol and dihydroxytetraalkyldisiloxanes and their analogs [R2(HO)Si]2X (X = CH2, S), precursors of liquid-crystalline phases

Russian Chemical Bulletin ◽

10.1007/bf01151283 ◽

1995 ◽

Vol 44 (9) ◽

pp. 1643-1647 ◽

Cited By ~ 2

Author(s):

K. Yu. Suponitskii ◽

T. V. Timofeeva ◽

Yu. T. Struchkov

Keyword(s):

Conformational Analysis ◽

Liquid Crystalline ◽

Crystalline Phases ◽

Liquid Crystalline Phases

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Prediction of charge-induced molecular alignment: residual dipolar couplings at pH 3 and alignment in surfactant liquid crystalline phases

European Biophysics Journal ◽

10.1007/s00249-005-0018-6 ◽

2005 ◽

Vol 35 (2) ◽

pp. 170-180 ◽

Cited By ~ 9

Author(s):

Markus Zweckstetter

Keyword(s):

Liquid Crystalline ◽

Residual Dipolar Couplings ◽

Molecular Alignment ◽

Dipolar Couplings ◽

Crystalline Phases ◽

Liquid Crystalline Phases

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Continuous bond rotation models for the conformational analysis of the methoxy groups in 1,2-dimethoxy- and 1,2,3-trimethoxy-benzene using dipolar couplings obtained from the NMR spectra of oriented samples in nematic liquid crystalline solutions

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/a709103f ◽

1998 ◽

pp. 1211-1218 ◽

Cited By ~ 7

Author(s):

James W. Emsley ◽

Elisabeth K. Foord ◽

John C. Lindon

Keyword(s):

Conformational Analysis ◽

Nmr Spectra ◽

Liquid Crystalline ◽

Dipolar Couplings ◽

Bond Rotation ◽

Methoxy Groups ◽

Oriented Samples

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Conformation of 4-ethoxy-4′-biphenylyl cyanide in the isotropic and anisotropic liquid-crystalline state — a rotational isomeric state simulation of 2H NMR spectra

Die Makromolekulare Chemie Theory and Simulations ◽

10.1002/mats.1992.040010606 ◽

1992 ◽

Vol 1 (6) ◽

pp. 401-413 ◽

Cited By ~ 3

Author(s):

Akihiro Abe ◽

Noritaka Kimura ◽

Mamoru Nakamura

Keyword(s):

Isomeric State ◽

Crystalline State ◽

Nmr Spectra ◽

Liquid Crystalline ◽

2H Nmr ◽

Liquid Crystalline State ◽

Rotational Isomeric State ◽

Anisotropic Liquid

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