𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Determination of Molecular Geometry by High-Order Multiple-Quantum Evolution in Solid-State NMR

✍ Scribed by Mattias Edén; Andreas Brinkmann; Henrik Luthman; Lars Eriksson; Malcolm H Levitt

Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
190 KB
Volume
144
Category
Article
ISSN
1090-7807

No coin nor oath required. For personal study only.

✦ Synopsis

The principles of molecular geometry determination by highquantum heteronuclear local field spectroscopy in solid-state NMR are discussed. The extreme multiple-quantum coherences in a cluster of nuclear spins are allowed to evolve in the presence of heteronuclear through-space couplings to two spins of a different type. The multiple-quantum dephasing curve is independent of the homonuclear spin-spin couplings and may be described in terms of geometric parameters. The triple-quantum version of the experiment is demonstrated by determining the torsion angle in a [ 15 N 2 , 13 C 3 ]-labeled sample of the peptide ala-ala-gly. Two regions of torsion angle space fit the experimental data, one in the neighborhood of ؊152°and one in the neighborhood of ؉161°. The latter determination is in excellent agreement with the X-ray estimate of ؉160.5°.

📜 SIMILAR VOLUMES

An experimental study of decoupling sequ
An experimental study of decoupling sequences for multiple-quantum and high-resolution MAS experiments in solid-state NMR
✍ Rajendra Singh Thakur; Narayanan D. Kurur; P. K. Madhu 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 259 KB

## Abstract Recently, a sequence for heteronuclear dipolar decoupling in solid‐state NMR, namely SW~__f__~‐TPPM, was introduced by us. Under magic‐angle spinning (MAS), the decoupling efficiency of the sequence was unaffected over a range of values for various experimental parameters such as the pu

Determination of Polypeptide Backbone Di
Determination of Polypeptide Backbone Dihedral Angles in Solid State NMR by Double Quantum 13C Chemical Shift Anisotropy Measurements
✍ Francisco J. Blanco; Robert Tycko 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 238 KB

A solid state NMR technique for the determination of peptide backbone conformations at specific sites in unoriented samples under magic angle spinning (MAS) is described and demonstrated on a doubly labeled polycrystalline sample of the tripeptide AlaGlyGly and a sextuply labeled lyophilized sample

Determination of Multiple φ-Torsion Angl
Determination of Multiple φ-Torsion Angles in Proteins by Selective and Extensive 13C Labeling and Two-Dimensional Solid-State NMR
✍ Mei Hong 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 198 KB

We describe an approach to efficiently determine the backbone conformation of solid proteins that utilizes selective and extensive (13)C labeling in conjunction with two-dimensional magic-angle-spinning NMR. The selective (13)C labeling approach aims to reduce line broadening and other multispin com

Multiple Quantum and High-Resolution NMR
Multiple Quantum and High-Resolution NMR, Molecular Structure, and Order Parameters of Partially Oriented ortho and meta Dimethyl-, Dichloro-, and Chloromethylbenzenes Codissolved in Nematic Liquid Crystals
✍ Raymond T Syvitski; E.Elliott Burnell 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 146 KB

We develop a strategy for analyzing complex nuclear magnetic resonance (NMR) spectra of several solutes codissolved in liquidcrystal phases. Spectral parameters of solutes m-or o-xylene were estimated by analyzing 2D multiple-quantum NMR spectra using a modified version of a least-squares fitting ro

Investigation of molecular motions in a
Investigation of molecular motions in a derivative of bisphenol-A diglycidyl ether by variable-temperature high-resolution solid-state carbon-13 NMR
✍ Brian Everatt; Robin K. Harris; Alan M. Kenwright; Kenneth J. Packer; B. Peter S 📂 Article 📅 1987 🏛 John Wiley and Sons 🌐 English ⚖ 426 KB

## Variable -temperature solid-state 13C NMR measurements show effects due to molecular motion in spectra of 2,2-bis[p-(2,3-dihydroxypropoxy)phenyl]propane (BADGETOL), which is a derivative of bisphenol-A diglycidyl ether. Features in the spectra indicate that the motions present may not be charac