Design and characterization of a calixarene inclusion compound for calibration of long-range carbon-fluorine distance measurements by solid-state NMR.
J Magn Reson. 2010 Aug 13;
Authors: Fowler DJ, Khalifah PG, Thompson LK
An inexpensive, easily synthesized calixarene:fluorotoluene host:guest inclusion complex has been designed for optimization and calibration of solid-state NMR measurements of carbon-fluorine distances using Rotational Echo DOuble Resonance (REDOR). Complexation of the fluorotoluene with the calixarene host separates the molecules such that simple two-spin behavior is observed for one site with a 4.08A carbon-fluorine distance. Fluorotoluene dynamics within the calixarene matrix cause motional averaging of the dipolar couplings, which makes it possible to easily optimize REDOR experiments and test their accuracy for relatively long distance measurements (>6.6A). This provides a new tool for accurate REDOR measurements of long carbon-fluorine distances, which have important applications in the characterization of fluorine-containing drugs, proteins, and polymers.
PMID: 20822943 [PubMed - as supplied by publisher]
A procedure to validate and correct the 13C chemical shift calibration of RNA datasets
A procedure to validate and correct the 13C chemical shift calibration of RNA datasets
Abstract Chemical shifts reflect the structural environment of a certain nucleus and can be used to extract structural and dynamic information. Proper calibration is indispensable to extract such information from chemical shifts. Whereas a variety of procedures exist to verify the chemical shift calibration for proteins, no such procedure is available for RNAs to date. We present here a procedure to analyze and correct the calibration of 13C NMR data of RNAs. Our procedure uses five 13C chemical...
Straightforward, effective calibration of SPINAL-64 decoupling results in the enhancement of sensitivity and resolution of biomolecular solid-state NMR
Straightforward, effective calibration of SPINAL-64 decoupling results in the enhancement of sensitivity and resolution of biomolecular solid-state NMR
Publication year: 2010
Source: Journal of Magnetic Resonance, In Press, Accepted Manuscript, Available online 31 December 2010</br>
Gemma, Comellas , Jakob J., Lopez , Andrew J., Nieuwkoop , Luisel R., Lemkau , Chad M., Rienstra</br>
We describe a simple yet highly effective optimization strategy for SPINAL-64 1H decoupling conditions for magic-angle spinning solid-state NMR. With adjustment of the phase angles in a coupled manner,...
nmrlearner
Journal club
0
01-01-2011 08:57 AM
[NMR paper] Design, expression and solid-state NMR characterization of silk-like materials constr
Design, expression and solid-state NMR characterization of silk-like materials constructed from sequences of spider silk, Samia cynthia ricini and Bombyx mori silk fibroins.
Related Articles Design, expression and solid-state NMR characterization of silk-like materials constructed from sequences of spider silk, Samia cynthia ricini and Bombyx mori silk fibroins.
J Biochem. 2005 Jun;137(6):721-9
Authors: Yang M, Asakura T
Silk has a long history of use in medicine as sutures. To address the requirements of a mechanically robust and...
nmrlearner
Journal club
0
11-25-2010 08:21 PM
[NMR paper] Design, NMR characterization and activity of a 21-residue peptide fragment of bacteri
Design, NMR characterization and activity of a 21-residue peptide fragment of bacteriocin AS-48 containing its putative membrane interacting region.
Related Articles Design, NMR characterization and activity of a 21-residue peptide fragment of bacteriocin AS-48 containing its putative membrane interacting region.
J Pept Sci. 2005 Jan;11(1):29-36
Authors: Jiménez MA, Barrachi-Saccilotto AC, Valdivia E, Maqueda M, Rico M
Bacteriocin AS-48 is a 70-residue cyclic polypeptide from Enterococcus faecalis that shows a broad antimicrobial spectrum...
nmrlearner
Journal club
0
11-24-2010 11:14 PM
[NMR paper] Design and characterization of libraries of molecular fragments for use in NMR screen
Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets.
Related Articles Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets.
J Chem Inf Comput Sci. 2004 Nov-Dec;44(6):2157-66
Authors: Baurin N, Aboul-Ela F, Barril X, Davis B, Drysdale M, Dymock B, Finch H, Fromont C, Richardson C, Simmonite H, Hubbard RE
We have designed four generations of a low molecular weight fragment library for use in NMR-based screening against protein...
nmrlearner
Journal club
0
11-24-2010 10:03 PM
[NMR paper] Design, high-level expression, purification and characterization of soluble fragments
Design, high-level expression, purification and characterization of soluble fragments of the hepatitis C virus NS3 RNA helicase suitable for NMR-based drug discovery methods and mechanistic studies.
Related Articles Design, high-level expression, purification and characterization of soluble fragments of the hepatitis C virus NS3 RNA helicase suitable for NMR-based drug discovery methods and mechanistic studies.
Protein Eng. 2001 Aug;14(8):573-82
Authors: Gesell JJ, Liu D, Madison VS, Hesson T, Wang YS, Weber PC, Wyss DF
RNA helicases represent...
nmrlearner
Journal club
0
11-19-2010 08:44 PM
[U. of Ottawa NMR Facility Blog] Temperature Calibration - An Alternative Method
Temperature Calibration - An Alternative Method
It is well known that the actual temperature of a sample in an NMR probe is not necessarily the same as that read from the variable temperature unit on the spectrometer. This is because the thermocouple used by the variable temperature unit is below the sample tube and not in the center of the rf coil where the NMR measurements are made. One normally must make a calibration plot for the actual temperature vs. the set temperature. For temperatures above room temperature this can be done by employing the known temperature dependent chemical...
Design and characterization of a calixarene inclusion compound for calibration of lon
Linear Mode
