In this NJC Hot Article, Lajos Kovács and colleagues consider the aggregation of 3-methylxanthine via experimental and theoretical approaches and show the formation of quartet sytems, revealing that 3-substituted xanthines could be a previously undescribed quadruplex-forming base.
3-Substituted xanthines as promising candidates for quadruplex formation: computational, synthetic and analytical studies, János Szolomájer, Gábor Paragi, Gyula Batta, Célia Fonseca Guerra, F. Matthias Bickelhaupt, Zoltán Kele, Petra Pádár, Zoltán Kupihár and Lajos Kovács, New J. Chem., 2011, Advance Article, DOI: 10.1039/C0NJ00612B, Paper
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