. Author manuscript; available in PMC: 2009 Sep 14.

Published in final edited form as: Chem Res Toxicol. 2007 Feb 21;20(3):445–454. doi: 10.1021/tx060229d

Table 3.

Comparison of the Chemical Shifts of the IQ Aromatic Protons for Oligonucleotides 1a–4a and the C8-IQ-Modified Nucleoside

	chemical shift of the IQ protons
	H4A	H5A	H7A	H8A	H9A	N-CH₃	conformation

la^a	7.34	7.26	8.57	7.24	8.30	3.06	groove-bound
2a^a	7.22	7.14	8.60	7.10	8.12	3.22	groove-bound
3a^a	7.30	7.05	8.32	6.96	8.00	3.22	groove-bound
4a^a	7.27	7.11	8.07	6.70	7.80	3.37	base-displaced
							intercalated
C8-Q^b	7.39	7.28	8.34	7.10	8.20	3.74

NMR spectra recorded at 800 MHz is at 15 °C in 10 mM phosphate buffer at pH 7.0, containing 100 mM NaCl and 0.05 mM EDTA in 99.996% D₂O.

NMR was recorded at 25 °C in DMSO-d₆.