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Nearest‐neighbor and next‐nearest‐neighbor effects in the proton NMR spectra of the oligoribonucleotides ApGp X and CpAp X
Author(s) -
Everett Jeremy R.,
Hughes Donald W.,
Bell Russell A.,
Alkema Dirk,
Neilson Thomas,
Romaniuk Paul J.
Publication year - 1980
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.1980.360190309
Subject(s) - chemistry , k nearest neighbors algorithm , proton , spectral line , nmr spectra database , coupling constant , chemical shift , proton nmr , base (topology) , series (stratigraphy) , crystallography , stereochemistry , physics , nuclear physics , mathematical analysis , paleontology , mathematics , artificial intelligence , computer science , biology , particle physics , astronomy
The variable‐temperature proton nmr spectra of the oligoribonucleotides in the series CpAp X and the series ApGp X , X = A, G, C, U, together with the parent dimers CpA and ApG have been measured. A complete analysis of all the nonexchangeable base proton resonances and ribose H‐1′ proton resonances was made. The presence of trends in the shielding abilities of the various bases at both the nearest‐neighbor and next‐nearest‐neighbor positions were identified. The observed shieldings could be used to predict the chemical shifts of protons in related systems. Based on the empirical results from ribodinucleoside monophosphates, the temperature‐dependent behavior of the J 1′2′ coupling constants of the triribonucleotides suggested that the compounds in the CpAp X series stacked from the 5′‐end to the 3′‐end, while those in the ApGp X series stacked from the 3′‐end to the 5′‐end.