Linked Life Data

19006164

Source:http://linkedlifedata.com/resource/pubmed/id/19006164

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
17
pubmed:dateCreated
2008-12-2
pubmed:abstractText
The absorption spectrum of A-T DNA is computed for the first time in aqueous solution by means of quantum mechanical calculations performed on realistic models, thereby accounting for both stacking and base pairing interactions and including solvent effects through the polarizable continuum model. The computed and experimental spectra are in close agreement. Our analysis allows the identification of all the electronic transitions hidden in the broad absorption spectrum of A-T DNA, thus determining their most relevant properties and providing an explanation for the most significant experimental features, such as the small blue shift of the band maximum and the appearance of a shoulder on the red wing of the absorption band. The lowest-energy dark excited state corresponds to a charge-transfer state between two stacked adenine bases.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Dec
pubmed:issn
1439-7641
pubmed:author
pubmed:issnType
Electronic
pubmed:day
1
pubmed:volume
9
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
2531-7
pubmed:meshHeading
pubmed:year
2008
pubmed:articleTitle
Absorption spectrum of A-T DNA unraveled by quantum mechanical calculations in solution on the (dA)2 x (dT)2 tetramer.
pubmed:affiliation
Istituto per i Processi Chimico-Fisici-CNR, Area della Ricerca del CNR Via Moruzzi,1 I-56124 Pisa, Italy.
pubmed:publicationType
Journal Article