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Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (127 visite)

Improta R, Santoro F, Blancafort L

Chemical Reviews (ISSN: 0009-2665), 2016; 116(6): 3540-3593.

Tipo di articolo: Journal Article,

Impact factor: 47.928

Impact factor a 5 anni: 50.95

Parole chiave: Charge Transfer, Chemical Reactions, Gene Encoding, Ground State, Nucleic Acids, Oligonucleotides, Computational Studies, Conical Intersection, Excitonic State, Photo-Activated, Quantum-Mechanical Study, Time Resolved Pump-Probe Spectroscopies, Triplet State, Ultrafast Decay, Quantum Theory,

Url: https://www2.scopus.com/inward/record.uri?eid=2-s2.0-84962408758&partnerID=40&md5=fd1f5ed57dceb19ff48c63506cb60bc4

The photophysics and photochemistry of DNA is of great importance due to the potential damage of the genetic code by UV light. Quantum mechanical studies have played a key role in interpretating the results of modern time-resolved pump-probe spectroscopy, and in elucidating the main photoactivated reactive paths. This review provides a concise, complete picture of the computational studies carried out, approximately, in the past decade. We start with an overview of the photophysics of the nucleobases in the gas phase and in solution. We discuss the proposed mechanisms for ultrafast decay to the ground state, that involve conical intersections, consider the role of triplet states, and analyze how the solvent modulates the photophysics. Then we move to larger systems, from dinucleotides to single- and double-stranded oligonucleotides. We focus on the possible role of charge transfer and delocalized or excitonic states in the photophysics of these systems and discuss the main photochemical paths. We finish with an outlook on the current challenges in the field and future directions of research. © 2016 American Chemical Society.
*** IBB - CNR ***

Istituto di Biostrutture Biommagini (IBB-CNR), CNR - Consiglio Nazionale Delle Ricerche, Via Mezzocannone 16, Napoli, Italy

Area della Ricerca di Pisa, Istituto di Chimica Dei Composti Organo Metallici (ICCOM-CNR), CNR - Consiglio Nazionale Delle Ricerche, Via G. Moruzzi 1, Pisa, Italy

Institut de Química Computacional i Catàlisi, Departament de Química, Universitat de Girona, Campus de Montilivi, Girona, Spain
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Emanuele, E., Zakrzewska, K., Markovitsi, D., Lavery, R., Millié, P., Exciton States of Dynamic DNA Double Helices: Alternating dCdG Sequences (2005) J. Phys. Chem. B, 109, pp. 16109-16118

D'Abramo, M., Castellazzi, C.L., Orozco, M., Amadei, A., On the Nature of DNA Hyperchromic Effect (2013) J. Phys. Chem. B, 117, pp. 8697-8704

Voityuk, A.A., Effects of Dynamic Disorder on Exciton Delocalization and photoinduced Charge Separation in DNA (2013) Photochem. Photobiol. Sci., 12, pp. 1303-1309

Starikov, E.B., Cuniberti, G., Tanaka, S., Conformation Dependence of DNA Exciton Parentage (2009) J. Phys. Chem. B, 113, pp. 10428-10435

Curutchet, C., Voityuk, A.A., Triplet-Triplet Energy Transfer in DNA: A Process that Occurs on the Nanosecond Timescale (2011) Angew. Chem., Int. Ed., 50, pp. 1820-1822

Huix-Rotllant, M., Brazard, J., Improta, R., Burghardt, I., Markovitsi, D., Stabilization of Mixed Frenkel-Charge Transfer Excitons Extended Across Both Strands of Guanine-Cytosine DNA Duplexes (2015) J. Phys. Chem. Lett., 6, pp. 2247-2251

De La Harpe, K., Crespo-Hernández, C.E., Kohler, B., Deuterium Isotope Effect on Excited-State Dynamics in an Alternating GC Oligonucleotide (2009) J. Am. Chem. Soc., 131, pp. 17557-17559

Hua, Y., Changenet-Barret, P., Improta, R., Vayá, I., Gustavsson, T., Kotlyar, A.B., Zikich, D., Markovitsi, D., Cation Effect on the Electronic Excited States of Guanine Nanostructures Studied by Time-Resolved Fluorescence Spectroscopy (2012) J. Phys. Chem. C, 116, pp. 14682-14689

Lech, C.J., Phan, A.T., Michel-Beyerle, M.E., Voityuk, A.A., Influence of Base Stacking Geometry on the Nature of Excited States in G-Quadruplexes: A Time-Dependent DFT Study (2015) J. Phys. Chem. B, 119, pp. 3697-3705

Neidle, S., Balasubramanian, S., (2007) Quadruplex Nucleic Acids, , Eds. RSC Publishing: Cambridge, U.K

Bittner, E.R., Frenkel exciton model of ultrafast excited state dynamics in at DNA double helices (2007) J. Photochem. Photobiol., A, 190, pp. 328-334

Zhang, Y., De La Harpe, K., Beckstead, A.A., Improta, R., Kohler, B., UV-Induced Proton Transfer between DNA Strands (2015) J. Am. Chem. Soc., 137, pp. 7059-7062

Takaya, T., Su, C., De La Harpe, K., Crespo-Hernández, C., Kohler, B., UV Excitation of DNA and RNA Strands Produces High Yields of Exciplex States between two Stacked Bases (2008) Proc. Natl. Acad. Sci. U. S. A., 105, pp. 10285-10290

Nenov, A., Segarra-Martí, J., Giussani, A., Conti, I., Rivalta, I., Dumont, E., Jaiswal, V.K., Garavelli, M., Probing Deactivation Pathways of DNA Nucleobases by Two-Dimensional Electronic Spectroscopy: First Principles Simulations (2015) Faraday Discuss., 177, pp. 345-362

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Martinez-fernandez L, Zhang Y, De La Harpe K, Beckstead AA, Kohler B, Improta R
* Photoinduced long-lived charge transfer excited states in AT-DNA strands (51 visite)
Phys Chem Chem Phys (ISSN: 1463-9084electronic, 1463-9076linking), 2016 Aug 21; 18(31): 21241-21245.
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Avitabile C, Accardo A, Ringhieri P, Morelli G, Saviano M, Montagner G, Fabbri E, Gallerani E, Gambari R, Romanelli A
* Incorporation of Naked Peptide Nucleic Acids into Liposomes Leads to Fast and Efficient Delivery (101 visite)
Bioconjug Chem (ISSN: 1043-1802, 1520-4812, 1520-4812electronic), 2015; 26(8): 1533-1541.
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Huix-Rotllant M, Brazard J, Improta R, Burghardt I, Markovitsi D
* Stabilization of mixed frenkel-charge transfer excitons extended across both strands of guanine-cytosine DNA duplexes (119 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic), 2015; 6(12): 2247-2251.
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Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
* TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids (127 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
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Roviello GN, Musumeci D, D'Alessandro C, Pedone C
* Binding ability of a thymine-functionalized oligolysine towards nucleic acids (105 visite)
Bioorg Med Chem (ISSN: 1464-3391, 0968-0896, 1464-3391electronic), 2014 Feb 1; 22(3): 997-1002.
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Zanoli LM, Spoto G
* Isothermal amplification methods for the detection of nucleic acids in microfluidic devices (133 visite)
Biosensors (ISSN: 2079-6374), 2013 Mar; 3(1): 18-43.
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Sgarlata C, Zito V, Arena G
* Conditions for calibration of an isothermal titration calorimeter using chemical reactions (89 visite)
Analytical And Bioanalytical Chemistry (ISSN: 1618-2642), 2013 Jan; 405(2-3): 1085-1094.
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Poletto M, Vascotto C, Scognamiglio PL, Lirussi L, Marasco D, Tell G
* Role Of The Unstructured N-Terminal Domain Of The Human Apurinic/Apyrimidinic Endonuclease 1 (hape1) In The Modulation Of Its Interaction With Nucleic Acids And Nucleophosmin (npm1) (121 visite)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2013; 452(3): 545-557.
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Santoro F, Improta R, Avila Ferrer FJ, Segado M, Lami A
* The interplay between neutral exciton and charge transfer states in single-strand polyadenine: A quantum dynamical investigation (115 visite)
Photochem Photobiol Sci (ISSN: 1474-905x), 2013; 12(8): 1527-1543.
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Avitabile C, Saviano M, D'Andrea LD, Bianchi N, Fabbri E, Brognara E, Gambari R, Romanelli A
* Targeting pre-miRNA by peptide nucleic acids: a new strategy to interfere in the miRNA maturation (129 visite)
Artif Dna Pna Xnaartificial Dna Pna & Xna (ISSN: 1949-9096, 1949-0968, 1949-095x), 2012 Apr; 3(2): 88-96.
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Roviello GN, Musumeci D, Bucci EM, Pedone C
* Nucleobase-containing peptides: a spectroscopic study of their properties and nucleic acids recognition ability (118 visite)
Eur Biophys J (ISSN: 0175-7571, 1432-1017), 2011 Sep; 40: N/D-N/D.
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Moccia M, Roviello GN, Bucci EM, Pedone C, Saviano M
* Synthesis of a l-lysine-based alternate alpha, epsilon-peptide: A novel linear polycation with nucleic acids-binding ability (126 visite)
Int J Pharm International Journal Of Pharmaceutics (ISSN: 0378-5173, 1873-3476), 2010 Sep 15; 397(1-2): 179-183.
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Roviello GN, Musumeci D, Pedone C, Bucci EM
* Synthesis, Characterization And Hybridization Studies Of An Alternate Nucleo-Epsilon/Gamma-Peptide: Complexes Formation With Natural Nucleic Acids (100 visite)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Jan; 38(1): 103-111.
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Zanoli L, Dagata R, Spoto G
* Surface plasmon-based optical detection of DNA peptide nucleic acids (109 visite)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 165-174.
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Roviello GN, Musumeci D, Moccia M, Castiglione M, Sapio R, Valente M, Bucci EM, Perretta G, Pedone C
* Dabpna: Design, Synthesis And Nucleic Acids Binding Studies (101 visite)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(10-12): 1307-1310.
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Santoro F, Gustavsson T, Lami S, Barone V, Improta R
* Towards the understanding of the excited state dynamics of nucleic acids: Solvent and stacking effect on the photophysical behavior of nucleobases (85 visite)
Aip Conf Proc (ISSN: 0094-243x), 2007; 963(2): 631-634.
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Borgatti M, Finotti A, Romanelli A, Saviano M, Bianchi N, Lampronti I, Lambertini E, Penolazzi L, Nastruzzi C, Mischiati C, Piva R, Pedone C, Gambari R
* Peptide nucleic acids (PNA)-DNA chimeras targeting transcription factors as a tool to modify gene expression (123 visite)
Curr Drug Targets (ISSN: 1389-4501), 2004 Nov; 5(8): 735-744.
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Cortesi R, Mischiati C, Borgatti M, Breda L, Romanelli A, Saviano M, Pedone C, Gambari R, Nastruzzi C
* Formulations for natural and peptide nucleic acids based on cationic polymeric submicron particles (92 visite)
The Aaps Journal (ISSN: 1522-1059, 1550-7416), 2004 Jan 20; 6(1): N/D-N/D.
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Gambari R, Borgatti M, Romanelli A, Capasso D, Saviano M, Bianchi N, Lampronti I, Mischiati C, Pedone C
* Transcription factor decoy (TFD) activity of peptide nucleic acids (PNA)-DNA chimeras (85 visite)
International Journal Of Molecular Medicine (ISSN: 1107-3756), 2003; 12(Supplement1): N/D-N/D.
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19 Records (16 escludendo Abstract e Conferenze).
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Impact factor a 5 anni totale: 54.774 (45.589 escludendo Abstract e Conferenze).

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