TY  - JOUR
AU  - Szolomájer, János
AU  - Paragi, Gábor
AU  - Batta, Gyula
AU  - C, Fonseca Guerra
AU  - F M, Bickelhaupt
AU  - Kele, Zoltán
AU  - Pádár, Petra
AU  - Kupihár, Zoltán
AU  - Kovács, Lajos
TI  - 3-Substituted xanthines as promising candidates for quadruplex formation: computational, synthetic and analytical studies
JF  - NEW JOURNAL OF CHEMISTRY
J2  - NEW J CHEM
VL  - 35
PY  - 2011
IS  - 2
SP  - 476
EP  - 482
PG  - 7
SN  - 1144-0546
DO  - 10.1039/C0NJ00612B
UR  - https://m2.mtmt.hu/api/publication/1451049
ID  - 1451049
AB  - Our computational studies suggest that 3-substituted xanthines are good candidates for tetrad and quadruplex structures. 3-Methylxanthine (3MX) has been synthesized from 7-benzylxanthine, and the existence of tetrameric and octameric aggregates of 3MX with NH4+, Na+ and K+ ions in the gas phase (MS) and in DMSO-d6 solution (NMR) has been observed. The "internal" H-bonds (N1H - - - O6) are stronger than the "external" ones (N7H - - - O2) in these clusters (NMR).
LA  - English
DB  - MTMT
ER  -