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Items: 1 to 20 of 123

1.

Radicals generated in alternating guanine-cytosine duplexes by direct absorption of low-energy UV radiation.

Banyasz A, Martínez-Fernández L, Improta R, Ketola TM, Balty C, Markovitsi D.

Phys Chem Chem Phys. 2018 Aug 22;20(33):21381-21389. doi: 10.1039/c8cp02588f.

PMID:
30101268
2.

Topology Controls the Electronic Absorption and Delocalization of Electron Holes in Guanine Quadruplexes.

Martínez-Fernández L, Banyasz A, Markovitsi D, Improta R.

Chemistry. 2018 Jul 23. doi: 10.1002/chem.201803222. [Epub ahead of print]

PMID:
30035824
3.

Sequence dependence on DNA photochemistry: a computational study of photodimerization pathways in TpdC and dCpT dinucleotides.

Martínez-Fernández L, Improta R.

Photochem Photobiol Sci. 2018 May 16;17(5):586-591. doi: 10.1039/c8pp00040a.

PMID:
29624198
4.

Light induced charge and energy transport in nucleic acids and proteins: general discussion.

Chattopadhyay A, Cogdell R, Crespo-Hernández CE, Datta A, De A, Haacke S, Hariharan M, Helliwell J, Hughes A, Improta R, Jones M, Joseph J, Karsili T, Kohler B, Krishnan R, Kuriakose A, L M, Markovitsi D, Medhi H, Periyasamy G, Pradeepkumar PI, Roy Chowdhury P, Sarangi M, Schapiro I, Schertler GFX, Schlichting I, Segarra-Martí J, Swaminathan R, V V, van Grondelle R, Venkatraman RK, Venkatramani R, Watts A.

Faraday Discuss. 2018 Apr 1;207:153-180. doi: 10.1039/c8fd90004c. Epub 2018 Apr 5. No abstract available.

PMID:
29620133
5.

Photocrosslinking between nucleic acids and proteins: general discussion.

Bhat V, Cogdell R, Crespo-Hernández CE, Datta A, De A, Haacke S, Helliwell J, Improta R, Joseph J, Karsili T, Kohler B, Krishnan R, L M, Lewis F, Mandal I, Markovitsi D, Mishra PP, Paul S, Periyasamy G, Pradeepkumar PI, Roy Chowdhury P, Sarangi M, Sasikumar D, Schapiro I, Schertler GFX, Schlichting I, Segarra-Martí J, Swaminathan R, V V, van Grondelle R, Varghese R, Venkatramani R.

Faraday Discuss. 2018 Apr 1;207:283-306. doi: 10.1039/c8fd90005a. Epub 2018 Apr 4. No abstract available.

PMID:
29617022
6.

Bionanophotonics: general discussion.

Chandra A, Chattopadhyay A, Cogdell R, Datta A, De A, Dhamija S, Golla M, Haacke S, Hariharan M, Helliwell J, Improta R, Jayasree RS, Jones M, Joseph J, Karsili T, Kohler B, Krishnan R, Mandal I, Markovitsi D, Medhi H, Mishra PP, Roy Chowdhury P, Sarangi M, Schlichting I, Seddon J, Sharma A, Siriki A, Swaminathan R, van Grondelle R, Varghese R, Venkatramani R, Watts A.

Faraday Discuss. 2018 Apr 1;207:491-512. doi: 10.1039/c8fd90007h. Epub 2018 Apr 4. No abstract available.

PMID:
29617021
7.

Light induced damage and repair in nucleic acids and proteins: general discussion.

Chandra A, Cogdell R, Crespo-Hernández CE, Datta A, Giussani A, Haacke S, Helliwell J, Improta R, Jayasree RS, Jones M, Karsili T, Kohler B, L M, Mandal I, Markovitsi D, Medhi H, Mishra PP, Pradeepkumar PI, Roy Chowdhury P, Sarangi M, Schapiro I, Schlichting I, Segarra-Martí J, Sharma A, V V, van Grondelle R, Watts A.

Faraday Discuss. 2018 Apr 1;207:389-408. doi: 10.1039/c8fd90006j. Epub 2018 Apr 4. No abstract available.

PMID:
29617016
8.

UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level.

Pepino AJ, Segarra-Martí J, Nenov A, Rivalta I, Improta R, Garavelli M.

Phys Chem Chem Phys. 2018 Mar 7;20(10):6877-6890. doi: 10.1039/c7cp08235e.

PMID:
29459916
9.

The intrinsic flexibility of the aptamer targeting the ribosomal protein S8 is a key factor for the molecular recognition.

Autiero I, Ruvo M, Improta R, Vitagliano L.

Biochim Biophys Acta Gen Subj. 2018 Apr;1862(4):1006-1016. doi: 10.1016/j.bbagen.2018.01.014.

PMID:
29413905
10.

Adenine radicals generated in alternating AT duplexes by direct absorption of low-energy UV radiation.

Banyasz A, Ketola T, Martínez-Fernández L, Improta R, Markovitsi D.

Faraday Discuss. 2018 Apr 17;207(0):181-197. doi: 10.1039/c7fd00179g.

PMID:
29372211
11.

Photoactivated proton coupled electron transfer in DNA: insights from quantum mechanical calculations.

Martinez-Fernandez L, Improta R.

Faraday Discuss. 2018 Apr 17;207(0):199-216. doi: 10.1039/c7fd00195a.

PMID:
29369316
12.

UV-induced damage to DNA: effect of cytosine methylation on pyrimidine dimerization.

Martinez-Fernandez L, Banyasz A, Esposito L, Markovitsi D, Improta R.

Signal Transduct Target Ther. 2017 Jun 9;2:17021. doi: 10.1038/sigtrans.2017.21. eCollection 2017.

13.

Mixed Quantum/Classical Method for Nonadiabatic Quantum Dynamics in Explicit Solvent Models: The ππ*/nπ* Decay of Thymine in Water as a Test Case.

Cerezo J, Liu Y, Lin N, Zhao X, Improta R, Santoro F.

J Chem Theory Comput. 2018 Feb 13;14(2):820-832. doi: 10.1021/acs.jctc.7b01015. Epub 2018 Jan 3.

PMID:
29207245
14.

Specific Recognition of G-Quadruplexes Over Duplex-DNA by a Macromolecular NIR Two-Photon Fluorescent Probe.

Deiana M, Mettra B, Martinez-Fernandez L, Mazur LM, Pawlik K, Andraud C, Samoc M, Improta R, Monnereau C, Matczyszyn K.

J Phys Chem Lett. 2017 Dec 7;8(23):5915-5920. doi: 10.1021/acs.jpclett.7b02547. Epub 2017 Nov 22.

PMID:
29148817
15.

Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6-4 Thymine-Thymine Photodimerization in a DNA Duplex.

Conti I, Martínez-Fernández L, Esposito L, Hofinger S, Nenov A, Garavelli M, Improta R.

Chemistry. 2017 Oct 26;23(60):15177-15188. doi: 10.1002/chem.201703237. Epub 2017 Oct 9.

PMID:
28809462
16.

Optical absorption and magnetic circular dichroism spectra of thiouracils: a quantum mechanical study in solution.

Martinez-Fernandez L, Fahleson T, Norman P, Santoro F, Coriani S, Improta R.

Photochem Photobiol Sci. 2017 Sep 13;16(9):1415-1423. doi: 10.1039/c7pp00105c.

PMID:
28745752
17.

Absorption of Low-Energy UV Radiation by Human Telomere G-Quadruplexes Generates Long-Lived Guanine Radical Cations.

Banyasz A, Martínez-Fernández L, Balty C, Perron M, Douki T, Improta R, Markovitsi D.

J Am Chem Soc. 2017 Aug 2;139(30):10561-10568. doi: 10.1021/jacs.7b05931. Epub 2017 Jul 24.

PMID:
28737902
18.

Novel adenine/thymine photodimerization channels mapped by PCM/TD-DFT calculations on dApT and TpdA dinucleotides.

Martínez-Fernández L, Improta R.

Photochem Photobiol Sci. 2017 Aug 9;16(8):1277-1283. doi: 10.1039/c7pp00154a.

PMID:
28640303
19.

Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy.

Martínez-Fernández L, Pepino AJ, Segarra-Martí J, Jovaišaitė J, Vaya I, Nenov A, Markovitsi D, Gustavsson T, Banyasz A, Garavelli M, Improta R.

J Am Chem Soc. 2017 Jun 14;139(23):7780-7791. doi: 10.1021/jacs.7b01145. Epub 2017 Jun 1.

20.

Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides.

Pepino AJ, Segarra-Martí J, Nenov A, Improta R, Garavelli M.

J Phys Chem Lett. 2017 Apr 20;8(8):1777-1783. doi: 10.1021/acs.jpclett.7b00316. Epub 2017 Apr 7.

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