Structure and Metabolic-Flow Analysis of Molecular Complexity in a 13 C-Labeled Tree by 2D and 3D NMR

2016 ◽  
Vol 128 (20) ◽  
pp. 6104-6107 ◽  
Author(s):  
Takanori Komatsu ◽  
Risa Ohishi ◽  
Amiu Shino ◽  
Jun Kikuchi
Keyword(s):  
Flow Analysis ◽  
3D Nmr ◽  
Molecular Complexity ◽  
2D And 3D ◽  
Labeled Tree

Structure and Metabolic-Flow Analysis of Molecular Complexity in a 13 C-Labeled Tree by 2D and 3D NMR

2016 ◽  
Vol 55 (20) ◽  
pp. 6000-6003 ◽  
Author(s):  
Takanori Komatsu ◽  
Risa Ohishi ◽  
Amiu Shino ◽  
Jun Kikuchi
Keyword(s):  
Flow Analysis ◽  
3D Nmr ◽  
Molecular Complexity ◽  
2D And 3D ◽  
Labeled Tree

scholarly journals Structure of Nanobody Nb23

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3567
Author(s):  
Mathias Percipalle ◽  
Yamanappa Hunashal ◽  
Jan Steyaert ◽  
Federico Fogolari ◽  
Gennaro Esposito
Keyword(s):  
Nmr Spectroscopy ◽  
Chemical Shift ◽  
Solution Structure ◽  
Chemical Shifts ◽  
Molecular Size ◽  
Side Chain ◽  
3D Nmr ◽  
Target Antigen ◽  
Internuclear Distances ◽  
2D And 3D

Background: Nanobodies, or VHHs, are derived from heavy chain-only antibodies (hcAbs) found in camelids. They overcome some of the inherent limitations of monoclonal antibodies (mAbs) and derivatives thereof, due to their smaller molecular size and higher stability, and thus present an alternative to mAbs for therapeutic use. Two nanobodies, Nb23 and Nb24, have been shown to similarly inhibit the self-aggregation of very amyloidogenic variants of β2-microglobulin. Here, the structure of Nb23 was modeled with the Chemical-Shift (CS)-Rosetta server using chemical shift assignments from nuclear magnetic resonance (NMR) spectroscopy experiments, and used as prior knowledge in PONDEROSA restrained modeling based on experimentally assessed internuclear distances. Further validation was comparatively obtained with the results of molecular dynamics trajectories calculated from the resulting best energy-minimized Nb23 conformers. Methods: 2D and 3D NMR spectroscopy experiments were carried out to determine the assignment of the backbone and side chain hydrogen, nitrogen and carbon resonances to extract chemical shifts and interproton separations for restrained modeling. Results: The solution structure of isolated Nb23 nanobody was determined. Conclusions: The structural analysis indicated that isolated Nb23 has a dynamic CDR3 loop distributed over different orientations with respect to Nb24, which could determine differences in target antigen affinity or complex lability.

Local symmetry in 2D and 3D NMR spectra

1989 ◽  
Vol 85 (2) ◽  
pp. 337-358 ◽  
Author(s):  
S Boentges ◽  
B.U Meier ◽  
C Griesinger ◽  
R.R Ernst
Keyword(s):  
Nmr Spectra ◽  
Local Symmetry ◽  
3D Nmr ◽  
2D And 3D

Homonuclear three-dimensional proton NMR spectroscopy of pike parvalbumin. Comparison of short- and medium-range NOEs from 2D and 3D NMR

1990 ◽  
Vol 112 (13) ◽  
pp. 5024-5030 ◽  
Author(s):  
Andre Padilla ◽  
Geerten W. Vuister ◽  
Rolf Boelens ◽  
Gerard J. Kleywegt ◽  
Adrien Cave ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Three Dimensional ◽  
Proton Nmr ◽  
3D Nmr ◽  
Proton Nmr Spectroscopy ◽  
Medium Range ◽  
2D And 3D

2D and 3D NMR spectroscopy employing carbon-13/carbon-13 magnetization transfer by isotropic mixing. Spin system identification in large proteins

1990 ◽  
Vol 112 (2) ◽  
pp. 886-888 ◽  
Author(s):  
Stephen W. Fesik ◽  
Hugh L. Eaton ◽  
Edward T. Olejniczak ◽  
Erik R. P. Zuiderweg ◽  
Lawrence P. McIntosh ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
System Identification ◽  
Spin System ◽  
Magnetization Transfer ◽  
3D Nmr ◽  
Large Proteins ◽  
Isotropic Mixing ◽  
2D And 3D

Solvent suppression using a spin lock in 2D and 3D NMR spectroscopy with H2O solutions

1989 ◽  
Vol 85 (3) ◽  
pp. 608-613 ◽  
Author(s):  
Barbara A Messerle ◽  
Gerhard Wider ◽  
Gottfried Otting ◽  
Christoph Weber ◽  
Kurt Wüthrich
Keyword(s):  
Nmr Spectroscopy ◽  
3D Nmr ◽  
Spin Lock ◽  
Solvent Suppression ◽  
Lock In ◽  
2D And 3D

scholarly journals Numerical Flow Analysis in a Subsonic Vaned Radial Diffuser With Leading Edge Redesign

1997 ◽  
Author(s):  
E. Casartelli ◽  
A. P. Saxer ◽  
G. Gyarmathy
Keyword(s):  
Static Pressure ◽  
Flow Analysis ◽  
Pressure Rise ◽  
Leading Edge ◽  
Inverse Design ◽  
Navier Stokes ◽  
Characteristic Lines ◽  
3D Effects ◽  
Design Software ◽  
2D And 3D

The flow field in a subsonic vaned radial diffuser of a single stage centrifugal compressor is numerically investigated using a 3D Navier-Stokes solver (TASCflow) and a 2D analysis & inverse-design software package (MISES). The vane geometry is modified in the leading edge area (2D blade shaping) using MISES, without changing the diffuser throughflow characteristics. An analysis of the 2D and 3D effects of two redesigns on the flow in each of the diffuser subcomponents is performed in terms of static pressure recovery, total pressure loss production and secondary flow reduction. The computed characteristic lines are compared with measurements, which confirm the improvement obtained by the leading edge redesign in terms of increased pressure rise and operating range.

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