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231223s2009 xx |||||o 00| ||eng c |
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|a 10.1107/S0909049509017063
|2 doi
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|a pubmed25n0631.xml
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|a (DE-627)NLM189373598
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|a (NLM)19535870
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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| 100 |
1 |
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|a Zhu, Quan
|e verfasserin
|4 aut
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| 245 |
1 |
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|a Impact of ketone and amino on the inner shell of guanine
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|c 2009
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 05.11.2009
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|a Date Revised 21.11.2013
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a Removal of the functional groups of guanine, i.e. ketone and amino, one by one produces model molecules of hypoxanthine, 2-aminopurine and unsubstituted purine. The impact of the ketone and amino moieties on guanine is revealed using their atomic-site-based inner-shell electronic properties and spectra. A density functional theory based model has been employed to study the model molecules. Electronic properties, such as Hirshfeld charges and inner-shell chemical shift, are found to be both site-dependent and moiety-dependent. The site-based inner-shell chemical shift of the species exhibits a simple linear correlation, although certain similarities among the model molecules regroup the species into two pairs of purine and 2-aminopurine, as well as hypoxanthine and guanine
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a Purines
|2 NLM
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|a Hypoxanthine
|2 NLM
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| 650 |
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|a 2TN51YD919
|2 NLM
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| 650 |
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7 |
|a 2-Aminopurine
|2 NLM
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| 650 |
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7 |
|a 452-06-2
|2 NLM
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| 650 |
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|a Guanine
|2 NLM
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| 650 |
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|a 5Z93L87A1R
|2 NLM
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|a DNA
|2 NLM
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|a 9007-49-2
|2 NLM
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| 650 |
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|a purine
|2 NLM
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| 650 |
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7 |
|a W60KTZ3IZY
|2 NLM
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| 700 |
1 |
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|a Wang, Feng
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Ivanova, Elena
|e verfasserin
|4 aut
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| 773 |
0 |
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|i Enthalten in
|t Journal of synchrotron radiation
|d 1994
|g 16(2009), Pt 4 vom: 15. Juli, Seite 545-52
|w (DE-627)NLM09824129X
|x 1600-5775
|7 nnns
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| 773 |
1 |
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|g volume:16
|g year:2009
|g number:Pt 4
|g day:15
|g month:07
|g pages:545-52
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|u http://dx.doi.org/10.1107/S0909049509017063
|3 Volltext
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