TY - JOUR
T1 - Geometrical characterization of adenine and guanine on Cu(1 1 0) by NEXAFS, XPS, and DFT calculation
AU - Furukawa, Masashi
AU - Yamada, Taro
AU - Katano, Satoshi
AU - Kawai, Maki
AU - Ogasawara, Hirohito
AU - Nilsson, Anders
N1 - Funding Information:
We express our appreciation to Dr. Hideki Fujisawa (RIKEN), Dr. Hiroyuki S. Kato (RIKEN), and Professor Tadahiro Komeda (Tohoku University, Japan) for their valuable discussions and technical supports. M. Furukawa was supported by “Special Postdoctoral Researchers Program” of RIKEN. We appreciate the computational assistance made by Super Combined Cluster of Advanced Center for Computing and Communication of RIKEN (RSCC).
PY - 2007/12/1
Y1 - 2007/12/1
N2 - Adsorption of purine DNA bases (guanine and adenine) on Cu(1 1 0) was studied by X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine-structure spectroscopy (NEXAFS), and density-functional theory (DFT) calculation. At coverages near 0.2 monolayers, Angular-resolved NEXAFS analysis revealed that adenine adsorbates lie almost flat and that guanine adsorbates are tilted up on the surface with the purine ring parallel to the atom rows of Cu(1 1 0). Referring to the previous studies on pyrimidine DNA bases [M. Furukawa, H. Fujisawa, S. Katano, H. Ogasawara, Y. Kim, T. Komeda, A. Nilsson, M. Kawai, Surf. Sci. 532-535 (2003) 261], the isomerization of DNA bases on Cu(1 1 0) was found to play an important role in the adsorption geometry. Guanine, thymine and cytosine adsorption have an amine-type nitrogen next to a carbonyl group, which is dehydrogenated into imine nitrogen on Cu(1 1 0). These bases are bonded by the inherent portion of -NH-CO- altered by conversion into enolic form and dehydrogenation. Adenine contains no CO group and is bonded to Cu(1 1 0) by participation of the inherent amine parts, resulting in nearly flatly-lying position.
AB - Adsorption of purine DNA bases (guanine and adenine) on Cu(1 1 0) was studied by X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine-structure spectroscopy (NEXAFS), and density-functional theory (DFT) calculation. At coverages near 0.2 monolayers, Angular-resolved NEXAFS analysis revealed that adenine adsorbates lie almost flat and that guanine adsorbates are tilted up on the surface with the purine ring parallel to the atom rows of Cu(1 1 0). Referring to the previous studies on pyrimidine DNA bases [M. Furukawa, H. Fujisawa, S. Katano, H. Ogasawara, Y. Kim, T. Komeda, A. Nilsson, M. Kawai, Surf. Sci. 532-535 (2003) 261], the isomerization of DNA bases on Cu(1 1 0) was found to play an important role in the adsorption geometry. Guanine, thymine and cytosine adsorption have an amine-type nitrogen next to a carbonyl group, which is dehydrogenated into imine nitrogen on Cu(1 1 0). These bases are bonded by the inherent portion of -NH-CO- altered by conversion into enolic form and dehydrogenation. Adenine contains no CO group and is bonded to Cu(1 1 0) by participation of the inherent amine parts, resulting in nearly flatly-lying position.
KW - Copper
KW - Density functional calculations
KW - Molecular orientation
KW - Near-edge extended X-ray absorption fine structure (NEXAFS)
KW - Nucleic acids
KW - Soft X-ray photoelectron spectroscopy
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U2 - 10.1016/j.susc.2007.09.009
DO - 10.1016/j.susc.2007.09.009
M3 - Article
AN - SCOPUS:36248966534
VL - 601
SP - 5433
EP - 5440
JO - Surface Science
JF - Surface Science
SN - 0039-6028
IS - 23
ER -