The Library
Quantifying hydrogen-bonding strength: the measurement of (2h)J(NN) couplings in self-assembled guanosines by solid-state 15N spin-echo MAS NMR
Tools
Pham, Tran N., Griffin, John M., Masiero, Stefano, Lena, Stefano, Gottarelli, Giovanni, Hodgkinson, Paul, Fillip, Claudiu and Brown, Steven P. (2007) Quantifying hydrogen-bonding strength: the measurement of (2h)J(NN) couplings in self-assembled guanosines by solid-state 15N spin-echo MAS NMR. Physical Chemistry Chemical Physics, Vol.9 (No.26). pp. 3416-3423. doi:10.1039/b703513f ISSN 1463-9076.
Research output not available from this repository.
Request-a-Copy directly from author or use local Library Get it For Me service.
Official URL: http://dx.doi.org/10.1039/b703513f
Abstract
(2h)J(NN) hydrogen-bond mediated J couplings are measured in the solid state for two synthetic deoxyguanosine derivatives by N-15 MAS NMR spin-echo experiments. The use of rotor-synchronised Hahn-echo pulse train (RS-HEPT) H-1 decoupling, with a duty cycle of 6%, allows spin-echo durations out to 200 ms, hence enabling the accurate determination of J couplings as small as 3.8 Hz. A single-crystal X-ray diffraction structure exists for the shorter alkyl chain derivative dG(C-3)(2): the observation of significantly different (2h)J(NN) couplings, 6.2 +/- 0.4 and 7.4 +/- 0.4 Hz, for the two resolved N7 resonances is to be expected given the NH center dot center dot center dot N hydrogen-bonding distances of 2.91 and 2.83 angstrom for the two distinct molecules in the asymmetric unit cell. For the longer alkyl chain derivative, dG(C-10)(2), for which there is no single-crystal diffraction structure, a N-15 refocused INADEQUATE spectrum (Pham et al., J. Am. Chem. Soc., 2005, 127, 16018-16019) has demonstrated the presence of N2-H center dot center dot center dot N7 intermolecular hydrogen-bonds indicative of a quartet-like structure. The (2h)J(NN) hydrogen-bond mediated J coupling of 5.9 +/- 0.2 Hz is at the lower end of the range (5.9-8.2 Hz) of (2h)J(NN) couplings determined from solution-state NMR of guanosine quartets in quadruplex DNA. A full discussion of the determination of error bars on the fitted parameters is given; specifically, error bars determined by a non-linear fitting (using the covariance matrix) or in a Monte-Carlo fashion are found to give effectively identical results.
Item Type: | Journal Article | ||||
---|---|---|---|---|---|
Subjects: | Q Science > QD Chemistry Q Science > QC Physics |
||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||
Journal or Publication Title: | Physical Chemistry Chemical Physics | ||||
Publisher: | Royal Society of Chemistry | ||||
ISSN: | 1463-9076 | ||||
Official Date: | 14 July 2007 | ||||
Dates: |
|
||||
Volume: | Vol.9 | ||||
Number: | No.26 | ||||
Number of Pages: | 8 | ||||
Page Range: | pp. 3416-3423 | ||||
DOI: | 10.1039/b703513f | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
Data sourced from Thomson Reuters' Web of Knowledge
Request changes or add full text files to a record
Repository staff actions (login required)
View Item |