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Nucleic Acids Research, 2002, Vol. 30, No. 17 e92
© 2002 Oxford University Press

Multivariate curve resolution: a powerful tool for the analysis of conformational transitions in nucleic acids

Joaquim Jaumot, Núria Escaja1, Raimundo Gargallo, Carlos González2, Enrique Pedroso1 and Romà Tauler*

Departament de Química Analítica and 1 Departament de Química Orgànica, Universitat de Barcelona, Diagonal 647, E-08028, Barcelona, Spain and 2 Instituto de Química-Física Rocasolano, Consejo Superior de Investigaciones Científicas (C.S.I.C.), Serrano 119, E-28006, Madrid, Spain

*To whom correspondence should be addressed. Tel: +34 934021545; Fax: +34 934021233; Email: roma{at}apolo.qui.ub.es
The authors wish it to be known that, in their opinion, the first six authors should be regarded as joint First Authors

A successful application is reported of the multivariate curve resolution alternating least-squares method (MCR-ALS) for the analysis of nucleic acid melting and salt-induced transitions. Under conditions where several structures co-exist in a conformational equilibrium, MCR-ALS analysis of the UV and circular dichroism (CD) spectra at different temperatures, ionic strength and oligonucleotide concentration allows for the resolution of concentration profiles and pure spectra of the different species. The methodology is illustrated by the case of the cyclic oligonucleotide d<pTGCTCGCT>. The melting transition of this molecule at different oligonucleotide concentrations was studied at 0, 2 and 10 mM MgCl2 by UV and CD spectroscopy. In addition, salt titration experiments were carried out at 21.0 and 54.0°C. The MCR-ALS analysis indicates that three different conformations of this molecule co-exist in solution. In agreement with previous NMR studies, these conformations were assigned to a monomeric dumbbell-like structure, a dimeric four-stranded conformation and a disordered (random coil) structure. The MCR-ALS methodology allows for a detailed analysis of how this equilibrium is affected by temperature, salt and oligonucleotide concentration.


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J. Jaumot, R. Eritja, R. Tauler, and R. Gargallo
Resolution of a structural competition involving dimeric G-quadruplex and its C-rich complementary strand
Nucleic Acids Res., January 5, 2006; 34(1): 206 - 216.
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