Residual chemical shift anisotropy (RCSA): a tool for the analysis of the configuration of small molecules.
نویسندگان
چکیده
منابع مشابه
Extracting Structural Information from Residual Chemical Shift Anisotropy: Analytic Solutions for Peptide Plane Orientations and Applications to Determine Protein Structure
Residual dipolar coupling (RDC) and residual chemical shift anisotropy (RCSA) provide orientational restraints on internuclear vectors and the principal axes of chemical shift anisotropy (CSA) tensors, respectively. Mathematically, while an RDC represents a single spheroconic, an RCSA can be interpreted as a linear combination of two spheroconics. Since RDCs and RCSAs are described by a molecul...
متن کاملNMR and NBO Calculation of Broccoli Calm: Nano Physical Parameter Study
Sulforaphane, an isothiocyanate found in broccoli and other cruciferous vegetables. it is an antioxidantand anti-cancer agent, and reduces blood pressure, and also has anti-allergic Effects.In this article, six theoretical methods have been used for calculation of physical parameters insolforaphane and several similar compounds. We calculated physical parameters like atomic charges.energy (AE) ...
متن کاملNano Theoretical Study of NMR Shielding Tensors on Ginger Plant
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...
متن کاملThe Impact of Hydrogen Bonding on Amide 1H Chemical Shift Anisotropy Studied by Cross-Correlated Relaxation and Liquid Crystal NMR Spectroscopy
Site-specific (1)H chemical shift anisotropy (CSA) tensors have been derived for the well-ordered backbone amide moieties in the B3 domain of protein G (GB3). Experimental input data include residual chemical shift anisotropy (RCSA), measured in six mutants that align differently relative to the static magnetic field when dissolved in a liquid crystalline Pf1 suspension, and cross-correlated re...
متن کاملP122: Small Molecules as Chemical and Pharmacological Tools for Neuroinflammatory Diseases Treatment (with Emphasis on Multiple Sclerosis)
Multiple Sclerosis (MS) is a neuroinflammatory disease resulting in degeneration of the myelin sheaths and death of oligodendrocytes. So far, several strategies have been introduced to control the disease. Treatment with small molecules is one of the strategies that have recently attracted the attention in the scientific community. These molecules that target epigenetic and other cellular proce...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Angewandte Chemie
دوره 50 40 شماره
صفحات -
تاریخ انتشار 2011