In this research, the Magnetite nanoparticles (Fe304) were prepared by coprecipitation of Fe- andGinger is a well known spice and flavoring agent which has also been used in traditional medicine inmany countries. Ginger contains essential oils including gingerol and zingiberene. It also containspungent principles such as zingerone, and shogaol. In the paper six theoretical methods were used toc...

Chemical shift perturbation (CSP, chemical shift mapping or complexation-induced changes in chemical shift, CIS) follows changes in the chemical shifts of a protein when a ligand is added, and uses these to determine the location of the binding site, the affinity of the ligand, and/or possibly the structure of the complex. A key factor in determining the appearance of spectra during a titration...

The olefinic carbon chemical shift tensors of trans-stilbene-R,â-C2 (1) and (trans-stilbene-R,â-C2)[bis(triphenylphosphine)]platinum(0) (2) have been characterized by solid-state 13C NMR spectroscopy. Analyses of the 13C NMR spectra obtained for stationary powder samples of 1 and 2 at 4.7 and 9.4 T yield the principal components of the carbon chemical shift tensors. The presence of a homonuclea...

We describe a new experiment for measuring homonuclear-decoupled anisotropic chemical shift patterns in doubly 13C-labeled compounds under magic-angle spinning. The experiment combines a pair of selective and non-selective 180 degrees pulses to suppress the 13C-13C scalar and dipolar interactions. This is combined with the recently developed SUPER technique to recouple the chemical shift anisot...

CS23D (chemical shift to 3D structure) is a web server for rapidly generating accurate 3D protein structures using only assigned nuclear magnetic resonance (NMR) chemical shifts and sequence data as input. Unlike conventional NMR methods, CS23D requires no NOE and/or J-coupling data to perform its calculations. CS23D accepts chemical shift files in either SHIFTY or BMRB formats, and produces a ...

The study of intrinsically disordered proteins (IDPs) by NMR often suffers from highly overlapped resonances that prevent unambiguous chemical-shift assignments, and data analysis that relies on well-separated resonances. We present a covalent paramagnetic lanthanide-binding tag (LBT) for increasing the chemical-shift dispersion and facilitating the chemical-shift assignment of challenging, rep...

he aromatic behavior of the azo-linked cyclopentadienide derivatives have been revealed in various natural compounds. In Tthis research, density functional theory (DFT) calculations at the B3LYP level are used to optimize the geometry of the compounds. In addition, we were interested in the evaluation of the aromaticity of the selected compounds using nucleus independent chemical shifts NIC...