A novel automated approach for the sequence specific NMR assignments of 1HN, 13Calpha, 13Cbeta, 13C'/1Halpha and 15N spins in proteins, using triple resonance experimental data, is presented. The algorithm, TATAPRO (Tracked AuTomated Assignments in Proteins) utilizes the protein primary sequence and peak lists from a set of triple resonance spectra which correlate 1HN and 15N chemical shifts wi...

The binding site interactions between the phosphorylcholine (phosphocholine)-binding mouse myeloma proteins TEPC 15, W3207, McPC 603, MOPC 167, and MOPC 511 and the isotopically substituted hapten phosphoryl[methyl-13C]choline have been investigated using 13C and 31P nuclear magnetic resonance (NMR) spectroscopy. Each protein exhibits a unique NMR pattern, but extensive similarities in chemical...

Cellulose fibres were treated with sodium hydroxide (NaOH) to improve the accessibility of chemical reagents and the roughness of fibre surface at low temperatures. The accessibility, supermolecular structure, morphology, and physical properties of fibres were investigated using solid-state cross polarisation/magic angle spinning 13C nuclear magnetic resonance (CP/MAS 13C NMR), wide-angle X-ray...

nowadays nmr spectroscopy becomes a powerful tool in chemistry because of the nmr chemical shifts. hartree–fock theory and the gauge-including atomic orbital (giao) methods are used in the calculation of 29si nmr chemical shifts of various silicate species in the silicate solution as initial components for zeolite synthesis both in gas and solution phase. calculations have been performed at geo...

A new approach for high-resolution solid-state heteronuclear multiple-quantum MAS NMR spectroscopy of dipolar-coupled spin-12 nuclei is introduced. The method is a heteronuclear chemical shift correlation technique of abundant spins, like 1H with rare spins, like 13C in natural abundance. High resolution is provided by ultra-fast MAS and high magnetic fields, high sensitivity being ensured by a...

Four new and complementary three-dimensional triple-resonance experiments are described for obtaining complete backbone ‘H, 13C, and “N resonance assignments of proteins uniformly enriched with “C and 15N. The new methods all rely on ‘H detection and use multiple magnetization transfers through well-resolved one-bond J couplings. Therefore, the 3D experiments are sensitive and permit relatively...