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The Excited States Decay Of The A-T Dna: A Pcm/Td-Dft Study In Aqueous Solution Of The (9-Methyl-Adenine) 2 (1-Methyl-Thymine) 2 Stacked Tetramer (40 views)

Santoro F, Barone V, Improta R

J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(42): 15232-15245.

Abstract
By exploiting some of the most recent advances in the quantum mechanical methods, we have been able to analyze the behavior of the lowest energy excited states of A-T B-DNA using a realistic model, namely a double strand tetramer formed by two thymine-adenine stacked pairs in aqueous solution. The equilibrium structure of the lowest energy bright and dark excited states has been determined and their main properties disclosed. On this ground, our study provides a detailed atomistic picture of the excited state decay and of the emission process, and it highlights the specific roles of base stacking and pairing. While absorption involves excited states delocalized over different stacked bases, emission mainly takes place from individual monomers and it is dominated by thymine bases. We show that fast "monomer-like" excited state decay routes are operative also in the double strand. On the other hand, the long living components of the excited state population of (dA)·(dT) oligomers correspond to a dark excimer produced by intermonomer charge transfer between two stacked adenine bases, whereas adenine-thymine proton transfer plays a minor role in the excited state decay. © 2009 American Chemical Society.

Affiliations ▼
*** IBB - CNR Affiliation

Istituto Per I Processi Chimico-Fisici - CNR, Area Della Ricerca del CNR, Via Moruzzi, 1, I-56124 Pisa, Italy

Scuola Normale Superiore di Pisa, P.zza dei Cavalieri 7, I-56126 Pisa, Italy

Dipartimento di Chimica, Università Federico II, Complesso Monte S. Angelo, via Cintia, I-80126 Napoli, Italy

Istituto di Biostrutture e Bioimmagini - CNR, Via Mezzocannone 16, I-80134 Napoli, Italy

Details ▼
Impact factor: 11.444, 5-year impact factor: 11.015

Paper type: Journal Article,

Keywords: Adenine-Thymine, Aqueous Solutions, Base Stacking, Dft Study, Double Strands, Emission Process, Equilibrium Structures, Excimers, Excited-State Decay, Quantum Mechanical Method, Realistic Model, Tetramers, Charge Transfer, Genes, Ion Exchange, Monomers, Nucleic Acids, Oligomers, Proton Transfer, Excited States, 9 Methyladenine, Dna A, Double Stranded Dna, Methylthymine, Thymine Derivative, Unclassified Drug, Absorption, Article, Behavior, Energy, Proton Transport, At Rich Sequence, Base Composition, Chemical, Molecular, Nucleic Acid Conformation,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-70350307204&partnerID=40&md5=4522b4dada8d1527207f5dc280b49253

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Lewis, J. P., Cheatham III, T. E., Starikov, E. B., Wang, H., Sankey, O. F., (2003) J. Phys. Chem. B, 107, pp. 2581-2587

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Martinez, J. M., Elmroth, S. K. C., Kloo, L., (2001) J. Am. Chem. Soc., 123, p. 12279

Johnson, A. T., Wiest, O., (2007) J. Phys. Chem. B, 111, pp. 14398-14404

Law, Y. K., Azadi, J., Crespo-Hernandez, C. E., Olmon, E., Kohler, B., (2008) Biophys. J., 94, pp. 3590-3600

Conwell, E. M., McLaughlin, P. M., Bloch, S. M., (2008) J. Phys. Chem. B, 112, pp. 2268-2272


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1 Records (1 excluding Abstracts and Conferences).
Total impact factor: 2.143 (2.143 excluding Abstracts and Conferences).
Total 5-year impact factor: 3.078 (3.078 excluding Abstracts and Conferences).



Your bibliography query: (([btitle, keywords, abstract] ADENINE AND [btitle, keywords, abstract] THYMINE AND [btitle, keywords, abstract] AQUEOUS)) AND NOT [id] = 9105



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