Tracking Alignment from the Moment of Inertia Tensor (TRAMITE) of Biomolecules in Neutral Dilute Liquid Crystal Solutions

NMR residual dipolar couplings between couple of nuclei PQ, 1 D PQ, measured on neutral dilute liquid crystal solutions, provide valuable long-range structural information of biomolecules. An accurate and simple method for the prediction of the alignment produced as consequence of sterical interacti...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2002-03, Vol.124 (11), p.2426-2427
Main Authors: Azurmendi, Hugo F, Bush, C. Allen
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Carbohydrate Conformation
Crystallization
Electric and magnetic moments (and derivatives), polarizability and magnetic susceptibility
Exact sciences and technology
Models, Chemical
Molecular properties and interactions with photons
Oligosaccharides - chemistry
Physics
Properties of molecules and molecular ions
Protein Conformation
Proteins - chemistry
Solutions
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Summary:NMR residual dipolar couplings between couple of nuclei PQ, 1 D PQ, measured on neutral dilute liquid crystal solutions, provide valuable long-range structural information of biomolecules. An accurate and simple method for the prediction of the alignment produced as consequence of sterical interactions between the solute and the bicelles is proposed called TRacking Alignment from Moment of Inertia Tensorî—¸TRAMITE. The method use the information encoded in the moment of inertia of the molecules to calculate the orientation tensor and predict the 1 D PQ values. Examples on proteins and oligosaccharides are presented which cover a wide range of sizes and shapes, along with a scheme for the application of the method to the analysis of flexible molecules.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja017524z