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CYANA (combined assignment and dynamics algorithm for NMR applications) is a program for automated structure calculation of biological macromolecules on the basis of conformational constraints from nuclear magnetic resonance (NMR).
The NMR sample is prepared in a thin-walled glass tube.. Protein nuclear magnetic resonance is performed on aqueous samples of highly purified protein. Usually, the sample consists of between 300 and 600 microlitres with a protein concentration in the range 0.1 – 3 millimolar.
Bruker 700 MHz nuclear magnetic resonance (NMR) spectrometer. Nuclear Magnetic Resonance (NMR) basic principles. Nuclear magnetic resonance (NMR) is a physical phenomenon in which nuclei in a strong constant magnetic field are disturbed by a weak oscillating magnetic field (in the near field [1]) and respond by producing an electromagnetic signal with a frequency characteristic of the magnetic ...
A 900 MHz NMR instrument with a 21.1 T magnet at HWB-NMR, Birmingham, UK. Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique based on re-orientation of atomic nuclei with non-zero nuclear spins in an external magnetic field.
An NMR spectrum or an in vivo MR spectrum most of the time consists of signals of more than one spin species which can exhibit different longitudinal relaxation times. Therefore, the calculated Ernst angle may apply only to the selected one of the many signals in the spectrum and other signals may be less intense than at their own Ernst angle.
Protein chemical shift prediction is a branch of biomolecular nuclear magnetic resonance spectroscopy that aims to accurately calculate protein chemical shifts from protein coordinates. Protein chemical shift prediction was first attempted in the late 1960s using semi-empirical methods applied to protein structures solved by X-ray ...
In NMR spectroscopy, the Solomon equations describe the dipolar relaxation process of a system consisting of two spins. [1] They take the form of the following differential equations : [ 2 ] d I 1 z d t = − R z 1 ( I 1 z − I 1 z 0 ) − σ 12 ( I 2 z − I 2 z 0 ) {\displaystyle {d{I_{1z}} \over dt}=-R_{z}^{1}(I_{1z}-I_{1z}^{0})-\sigma _{12 ...
Chemical shift δ is usually expressed in parts per million (ppm) by frequency, because it is calculated from [5] =, where ν sample is the absolute resonance frequency of the sample, and ν ref is the absolute resonance frequency of a standard reference compound, measured in the same applied magnetic field B 0.