Pairwise NMR experiments for the determination of protein backbone dihedral angle Φ based on cross-correlated spin relaxation

2007 ◽  
Vol 37 (3) ◽  
pp. 179-185 ◽  
Author(s):  
Hideo Takahashi ◽  
Ichio Shimada
Keyword(s):  
Dihedral Angle ◽  
Spin Relaxation ◽  
Protein Backbone ◽  
Backbone Dihedral Angle

scholarly journals A novel high-dimensional NMR experiment for resolving protein backbone dihedral angle ambiguities

2020 ◽  
Vol 74 (4-5) ◽  
pp. 257-265 ◽  
Author(s):  
Clemens Kauffmann ◽  
Krzysztof Kazimierczuk ◽  
Thomas C. Schwarz ◽  
Robert Konrat ◽  
Anna Zawadzka-Kazimierczuk
Keyword(s):  
Dihedral Angle ◽  
High Dimensional ◽  
Protein Backbone ◽  
Backbone Dihedral Angle

Theoretical Determination of the Ground State Geometry of 1.3.5-Triphenylbenzene

1984 ◽  
Vol 39 (12) ◽  
pp. 1250-1254 ◽  
Author(s):  
J. Ciosłowski
Keyword(s):  
Dihedral Angle ◽  
Ground State ◽  
Reasonable Agreement ◽  
Uv Spectrum ◽  
Theoretical Determination ◽  
Transition Energies ◽  
Benzene Rings ◽  
First Ionization Potential ◽  
Ground State Geometry

The geometry and electronic structure of 1.3.5-triphenylbenzene (TPB) has been determined by semiempirical quantum methods. Using the MNDO approach, the salient dependencies of the first ionization potential, the intramolecular distances and the bond angles on the dihedral angle between the planes of the TPB benzene rings were established. By an application of the CNDO/S method the UV spectrum of TPB was calculated. A comparison of the calculated transition energies with the values observed in the absorption spectrum yields 45° for the dihedral angle, which is in reasonable agreement with the available experimental data.

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