A quantum chemical study of reactions of DNA bases with sulphur mustard: A chemical warfare agent

Theoretical Chemistry Accounts

Volumn 125, Issue 3-6, 2010, Pages 269-278

  Shukla, P K ^a   Mishra, P C ^a  

^a BANARAS HINDU UNIVERSITY   (India)

Author keywords

Chemical reactions; Chemical warfare agent; DNA bases; Sulphonium ion; Sulphur mustard

Indexed keywords

EID: 77949269633     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0514-3     Document Type: Article

References (49)

1. Kehe K, Szinicz L (2005) Toxicology 214: 198. doi: 10. 1016/j. tox. 2005. 06. 014.
2. Smith KJ, Hurst CG, Moeller RB, Skelton HG, Sidell FR (1995) J Am Acad Dermatol 32: 765. doi: 10. 1016/0190-9622(95)91457-9.
3. Dacre JC, Goldman M (1996) Pharmacol Rev 48: 289.
4. Graham JS, Chilcott RP, Rice P, FRCPath BM, Milner SM, Hurst GC, Maliner BI (2005) J Burns Wounds 4: 1.
5. Wormser U, Izrael M, van der Zee EA, Brodsky B, Yanai J (2005) Neurotoxicol Teratol 27: 65. doi: 10. 1016/j. ntt. 2004. 09. 006.
6. Shahin S, Cullinane C, Gray PJ (2001) Chem Biol Interact 138: 231. doi: 10. 1016/S0009-2797(01)00275-7.
7. Gray PJ (1995) Nucleic Acids Res 23: 4378. doi: 10. 1093/nar/23. 21. 4378.
8. Rao PVL, Vijayaraghavan R, Bhaskar ASB (1999) Toxicol 139: 39. doi: 10. 1016/S0300-483X(99)00097-9.
9. Shukla PK, Mishra PC, Suhai S (2007) Chem Phys Lett 449: 323. doi: 10. 1016/j. cplett. 2007. 10. 072.
10. Masta A, Gray PJ, Phillips DR (1996) Carcinogenesis 17: 525. doi: 10. 1093/carcin/17. 3. 525.
11. Lawley PD (1971) Biochem J 125: 829.
12. Sawyer TW, Hancock JR, D' Agostino PA (1998) Toxicol Appl Pharmacol 151: 340. doi: 10. 1006/taap. 1998. 8457.
13. Korkmaz A, Yaren H, Topal T, Oter S (2006) Arch Toxicol 80: 662. doi: 10. 1007/s00204-006-0089-x.
14. Anshoo G, Singh S, Kulkarni AS, Pant SC, Vijayaraghavan R (2005) Indian J Pharmacol 37: 103.
15. Gao X, Ray R, Xiao Y, Barker PE, Ray P (2007) BMC Cell Biol 8: 17. doi: 10. 1186/1471-2121-8-17.
16. Geraci MJ (2008) Ann Pharmacother 42: 237. doi: 10. 1345/aph. 1K445.
17. Ludlum DB, Austin-Ritchie P, Hagopian M, Niu TQ, Yu D (1994) Chem Biol Interact 91: 39. doi: 10. 1016/0009-2797(94)90005-1.
18. Fidder A, Moes GWH, Scheffer AG, van der Schans GP, Bean RA, De Jong LPA, Benschop HP (1994) Chem Res Toxicol 7: 199. doi: 10. 1021/tx00038a013.
19. Ludlum DB, Kent S, Metha JR (1986) Carcinogenesis 7: 1203. doi: 10. 1093/carcin/7. 7. 1203.
20. Matijasevic Z, Stering A, Niu TQ, Austin-Ritchie P, Ludlum DB (1996) Carcinogenesis 17: 2249. doi: 10. 1093/carcin/17. 10. 2249.
21. Mozier NM, Hoffman JL (1990) FASEB J 4: 3329.
22. Becke AD (1993) J Chem Phys 98: 5648. doi: 10. 1063/1. 464913.
23. Lee C, Yang W, Parr RG (1988) Phys Rev B 37: 785. doi: 10. 1103/PhysRevB. 37. 785.
24. Becke AD (1996) J Chem Phys 104: 1040. doi: 10. 1063/1. 470829.
25. Perdew JP (1991) In: Ziesche P, Esching H (eds) "Unified theory of exchange and correlation beyond the local density approximation" in electronic structure of solids. Academic Verlag, Berlin, pp 11-20.
26. Zhao Y, Truhlar DG (2005) J Phys Chem A 109: 5656. doi: 10. 1021/jp050536c.
27. Sousa SF, Fernandes PA, Ramos MJ (2007) J Phys Chem A 111: 10439. doi: 10. 1021/jp0734474.
28. Frisch MJ, Head-Gordon M, Pople JA (1990) Chem Phys Lett 166: 275. doi: 10. 1016/0009-2614(90)80029-D.
29. Frisch MJ, Head-Gordon M, Pople JA (1990) Chem Phys Lett 166: 281. doi: 10. 1016/0009-2614(90)80030-H.
30. Boys SF, Bernardi F (1970) Mol Phys 19: 553. doi: 10. 1080/00268977000101561.
31. Simon S, Duran M, Dnnenberg JJ (1996) J Chem Phys 105: 11024. doi: 10. 1063/1. 472902.
32. Tomasi J, Persico M (1994) Chem Rev 94: 2027. doi: 10. 1021/cr00031a013.
33. Cramer CJ, Truhlar DG (1999) Chem Rev 99: 2200. doi: 10. 1021/cr960149m.
34. Tomasi J, Mennucci B, Cammi R (2005) Chem Rev 105: 2999. doi: 10. 1021/cr9904009.
35. Jalkanen KJ, Suhai S (1996) Chem Phys 208: 81. doi: 10. 1016/0301-0104(96)00042-0.
36. Deng Z, Polavarapu PL, Ford SJ, Hecht L, Baron LD, Ewig CS, Jalkanen KJ (1996) J Phys Chem 100: 2025. doi: 10. 1021/jp951865f.
37. Han W-G, Jalkanen KJ, Elstner M, Suhai S (1998) J Phys Chem B 102: 2587. doi: 10. 1021/jp972299m.
38. Jalkanen KJ, Jürgensen VW, Claussen A, Rahim A, Jensen GM, Wade RC, Nardi F, Jung C, Degtyarenko IM, Nieminen RM, Herrmann F, Knapp-Mohammady M, Niehaus TA, Frimand K, Suhai S (2006) Int J Quantum Chem 106: 1160. doi: 10. 1002/qua. 20863.
39. Degtyarenko IM, Jalkanen KJ, Gurtovenko AA, Nieminen RM (2007) J Phys Chem B 111: 4227. doi: 10. 1021/jp0676991.
40. Deplazes E, van Bronswijk W, Zhu F, Barron LD, Ma S, Nafie LA, Jalkanen KJ (2008) Theor Chem Acc 119: 155. doi: 10. 1007/s00214-007-0276-8.
41. Ramnarayan K, Bohr HG, Jalkanen KJ (2008) Theor Chem Acc 119: 265. doi: 10. 1007/s00214-007-0285-7.
42. Barone V, Cossi M, Tomasi J (1997) J Chem Phys 107: 3210. doi: 10. 1063/1. 474671.
43. Cossi M, Scalmani G, Rega N, Barone V (2002) J Chem Phys 117: 43. doi: 10. 1063/1. 1480445.
44. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA Jr, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammy R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Rega N, Salvodar P, Dannenberg JJ, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA (2001) Gaussian 98, Revision A.11.2, Gaussian Inc., Pittsburgh.
45. Gonzalez C, Schlegel HB (1989) J Chem Phys 90: 2154. doi: 10. 1063/1. 456010.
46. Frisch AE, Dennington RD, Keith TA, Neilsen AB, Holder AJ (2003) GaussView, Rev. 3. 09, Gaussian Inc., Pittsburgh.
47. Rink SM, Hopkins PB (1995) Biochemistry 34: 1439. doi: 10. 1021/bi00004a039.
48. Bignami M, O' Driscoll M, Aquilina G, Karran P (2000) Mutat Res 462: 71. doi: 10. 1016/S1383-5742(00)00016-8.
49. Shukla PK, Mishra PC, Suhai S (2007) Int J Quantum Chem 107: 1270. doi: 10. 1002/qua. 21233.