Nucleic Acids: Environmental Chemistry, Structures and Interactions as Revealed by Computational Studies

作者: M. Shukla , J. Leszczynski

DOI: 10.1016/B978-0-444-52272-6.00231-2

关键词:

摘要: A rigorous analysis of results obtained from the recent high-level theoretical calculations and experimental measurements on nucleic acid fragments, especially bases base pairs are reported. It is well-known that environmental factors such as metal cations water molecules essential for proper physiological structure acids. Variation in degree hydration or cation concentration can change (conformation) deoxyribonucleic (DNA). Nucleic endowed with high photostability property attained due to ultrashort excited state lifetimes, which order subpicosecond. The extremely small lifetime, a consequence ultrafast nonradiative deactivation, does not allow enough time photoreaction. show electronic singlet geometries generally nonplanar. geometrical distortion along certain bonds leads conical intersections between ground potential energy surfaces, thus facilitate deactivation. There one more factor fast development new type technology – nanotechnology becomes vital society its well-being. has been speculated airborne nanoparticles may cause allergic reactions lead asbestosis disease upon prolonged exposure. Several investigations have suggested fullerene derivatives induce nucleotide chain cleavage mainly at guanine site DNA. Nanomaterials bind DNA, protein, different receptor sites, travel those might be usually unaccessible. Therefore, toxicological nanomaterials will needed before widespread commerical application.

参考文章(13)
Anil Kumar, Michael D. Sevilla, The Role of πσ* Excited States in Electron-Induced DNA Strand Break Formation: A Time-Dependent Density Functional Theory Study Journal of the American Chemical Society. ,vol. 130, pp. 2130- 2131 ,(2008) , 10.1021/JA077331X
Manoj K. Shukla, Madan Dubey, Jerzy Leszczynski, Theoretical investigation of electronic structures and properties of C60-gold nanocontacts. ACS Nano. ,vol. 2, pp. 227- 234 ,(2008) , 10.1021/NN700080P
Luis Serrano-Andrés, Manuela Merchán, Antonio Carlos Borin, A three-state model for the photophysics of guanine. Journal of the American Chemical Society. ,vol. 130, pp. 2473- 2484 ,(2008) , 10.1021/JA0744450
Carlos E. Crespo-Hernández, Boiko Cohen, Patrick M. Hare, Bern Kohler, Ultrafast Excited-State Dynamics in Nucleic Acids Chemical Reviews. ,vol. 104, pp. 1977- 2019 ,(2004) , 10.1021/CR0206770
M. K. Shukla, Jerzy Leszczynski, Hydration-dependent structural deformation of guanine in the electronic singlet excited state. Journal of Physical Chemistry B. ,vol. 112, pp. 5139- 5152 ,(2008) , 10.1021/JP7100557
Phineus R. L. Markwick, Nikos L. Doltsinis, Ultrafast repair of irradiated DNA: nonadiabatic ab initio simulations of the guanine-cytosine photocycle. Journal of Chemical Physics. ,vol. 126, pp. 175102- 175102 ,(2007) , 10.1063/1.2728897
Miguel Fuentes-Cabrera, Bobby G. Sumpter, Judit E. Šponer, Jiří Šponer, Leon Petit, Jack C. Wells, Theoretical study on the structure, stability, and electronic properties of the guanine-Zn-cytosine base pair in M-DNA. Journal of Physical Chemistry B. ,vol. 111, pp. 870- 879 ,(2007) , 10.1021/JP066465E
Marek Z Zgierski, Serguei Patchkovskii, Edward C Lim, Biradical radiationless decay channel in adenine and its derivatives Canadian Journal of Chemistry. ,vol. 85, pp. 124- 134 ,(2007) , 10.1139/V07-006
Michel Mons, François Piuzzi, Iliana Dimicoli, Leonid Gorb, Jerzy Leszczynski, Near-UV resonant two-photon ionization spectroscopy of gas phase guanine: evidence for the observation of three rare tautomers. Journal of Physical Chemistry A. ,vol. 110, pp. 10921- 10924 ,(2006) , 10.1021/JP063738X
Badia Boudaıffa, Pierre Cloutier, Darel Hunting, Michael A Huels, Léon Sanche, Resonant Formation of DNA Strand Breaks by Low-Energy (3 to 20 eV) Electrons Science. ,vol. 287, pp. 1658- 1660 ,(2000) , 10.1126/SCIENCE.287.5458.1658