@article{MTMT:1451049,
	title = {3-Substituted xanthines as promising candidates for quadruplex formation: computational, synthetic and analytical studies},
	url = {https://m2.mtmt.hu/api/publication/1451049},
	author = {Szolomájer, János and Paragi, Gábor and Batta, Gyula and C, Fonseca Guerra and F M, Bickelhaupt and Kele, Zoltán and Pádár, Petra and Kupihár, Zoltán and Kovács, Lajos},
	doi = {10.1039/C0NJ00612B},
	journal-iso = {NEW J CHEM},
	journal = {NEW JOURNAL OF CHEMISTRY},
	volume = {35},
	unique-id = {1451049},
	issn = {1144-0546},
	abstract = {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).},
	year = {2011},
	eissn = {1369-9261},
	pages = {476-482},
	orcid-numbers = {Szolomájer, János/0000-0003-1458-6156; Paragi, Gábor/0000-0001-5408-1748; Batta, Gyula/0000-0002-0442-1828; Kele, Zoltán/0000-0002-4401-0302; Kupihár, Zoltán/0000-0001-5499-7617; Kovács, Lajos/0000-0002-0331-3980}
}