Residual dipolar couplings (RDCs) analysis of small molecules made easy: fast and tuneable alignment by reversible compression/relaxation of reusable PMMA Gels.
نویسندگان
چکیده
منابع مشابه
Precise Measurement of RDCs in Water and DMSO Based Gels Using a Silicone Rubber Tube for Tunable Stretching
Residual dipolar couplings (RDCs) are of great interest for the structure determination of biomacromolecules as well as of organic molecules like synthetic or natural products. Their accurate measurement requires a proper degree of alignment for the molecule under investigation. As has been shown recently, a stretching device based on a flexible silicone rubber tube provides an easy, rapid, and...
متن کاملLong-Range Residual Dipolar Couplings: A Tool for Determining the Configuration of Small Molecules.
Together with NOE and J coupling, one-bond residual dipolar coupling (RDC), which reports on the three-dimensional orientation of an internuclear vector in the molecular frame, plays an important role in the conformation and configuration analysis of small molecules in solution by NMR spectroscopy. When the molecule has few C-H bonds, or too many bonds are in parallel, the available RDCs may no...
متن کاملCross-Fitting of Residual Dipolar Couplings
Residual dipolar couplings (RDCs) are important NMR-parameters for the structure determination of organic molecules. In this article we describe how RDCs can be used to effectively transfer structural information by cross-fitting the anisotropic parameters of molecules with similar overall structure. Using the example of 5-cholestan-3-one and cholesterol, it is possible to distinguish diastereo...
متن کاملStructural discrimination in small molecules by accurate measurement of long-range proton-carbon NMR residual dipolar couplings.
Although residual dipolar couplings (RDCs) are widely used in macromolecular structural studies in relation to NMR spectroscopic experiments, they are also proving to be very powerful for the constitutional, configurational, and conformational analysis of small molecules. Before RDCs were available, the determination of the 3D structure of small molecules by NMR experiments in solution was prin...
متن کاملDe novo determination of internuclear vector orientations from residual dipolar couplings measured in three independent alignment media.
The straightforward interpretation of solution state residual dipolar couplings (RDCs) in terms of internuclear vector orientations generally requires prior knowledge of the alignment tensor, which in turn is normally estimated using a structural model. We have developed a protocol which allows the requirement for prior structural knowledge to be dispensed with as long as RDC measurements can b...
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:
- Chemistry
دوره 16 12 شماره
صفحات -
تاریخ انتشار 2010