Supramolecular architectures involving DNA bases can have a strong impact in several fields such as nanomedicine and nanodevice manufacturing. To date, in addition to the four canonical nucleobases (adenine, thymine, guanine and cytosine), four other forms of cytosine modified at the 5 position have been identified in DNA. Among these four new cytosine derivatives, 5-carboxylcytosine has been recently discovered in mammalian stem cell DNA, and proposed as the final product of the oxidative epigenetic demethylation pathway on the 5 position of cytosine. In this work, a calcium salt of 5-carboxylcytosine has been synthesized and deposited on graphite surface, where it forms self-assembled features as long range monolayers and up to one micron long filaments. These structures have been analyzed in details combining different theoretical and experimental approaches: X-ray single-crystal diffraction data were used to simulate the molecule-graphite interaction, first using molecular dynamics and then refining the results using density functional theory (DFT); finally, data obtained with DFT were used to rationalize atomic force microscopy (AFM) results.
Self-assembling of calcium salt of the new DNA base 5-carboxylcytosine / Irrera, Simona; Ruiz Hernandez, Sergio E.; Reggente, Melania; Passeri, Daniele; Natali, Marco; Gala, Fabrizio; Zollo, Giuseppe; Rossi, Marco; Portalone, Gustavo. - In: APPLIED SURFACE SCIENCE. - ISSN 0169-4332. - STAMPA. - 407:(2017), pp. 297-306. [10.1016/j.apsusc.2017.02.171]
Self-assembling of calcium salt of the new DNA base 5-carboxylcytosine
IRRERA, SIMONA;REGGENTE, MELANIA;PASSERI, Daniele;NATALI, MARCO;GALA, FABRIZIO;ZOLLO, Giuseppe;ROSSI, Marco;PORTALONE, Gustavo
2017
Abstract
Supramolecular architectures involving DNA bases can have a strong impact in several fields such as nanomedicine and nanodevice manufacturing. To date, in addition to the four canonical nucleobases (adenine, thymine, guanine and cytosine), four other forms of cytosine modified at the 5 position have been identified in DNA. Among these four new cytosine derivatives, 5-carboxylcytosine has been recently discovered in mammalian stem cell DNA, and proposed as the final product of the oxidative epigenetic demethylation pathway on the 5 position of cytosine. In this work, a calcium salt of 5-carboxylcytosine has been synthesized and deposited on graphite surface, where it forms self-assembled features as long range monolayers and up to one micron long filaments. These structures have been analyzed in details combining different theoretical and experimental approaches: X-ray single-crystal diffraction data were used to simulate the molecule-graphite interaction, first using molecular dynamics and then refining the results using density functional theory (DFT); finally, data obtained with DFT were used to rationalize atomic force microscopy (AFM) results.File | Dimensione | Formato | |
---|---|---|---|
Irrera_Self-assembling_2017.pdf
solo gestori archivio
Note: full text - editor PDF
Tipologia:
Versione editoriale (versione pubblicata con il layout dell'editore)
Licenza:
Tutti i diritti riservati (All rights reserved)
Dimensione
2.76 MB
Formato
Adobe PDF
|
2.76 MB | Adobe PDF | Contatta l'autore |
Irrera_preprint_selfassembling_2017.pdf
solo gestori archivio
Tipologia:
Documento in Pre-print (manoscritto inviato all'editore, precedente alla peer review)
Licenza:
Tutti i diritti riservati (All rights reserved)
Dimensione
685.06 kB
Formato
Adobe PDF
|
685.06 kB | Adobe PDF | Contatta l'autore |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.