Optimal control design of laser pulses for mode specific vibrational excitation in an enzyme-substrate complex

Chemical Physics Letters

Volumn 491, Issue 4-6, 2010, Pages 230-236

  Ren, Qinghua ^a   Ranaghan, Kara E ^a   Mulholland, Adrian J ^a   Harvey, Jeremy N ^a   Manby, Frederick R ^a   Balint Kurti, Gabriel G ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC AMINES; CATALYTIC CYCLES; DIPOLE MOMENT SURFACES; ENZYME-SUBSTRATE COMPLEXES; OPTIMAL CONTROL DESIGN; OPTIMAL CONTROL THEORY; QUANTUM TUNNELLING; TRYPTAMINES; VIBRATIONAL EXCITATION; VIBRATIONAL MODES; VIBRATIONALLY EXCITED STATE;

CONTROL; EXCITED STATES; LASER EXCITATION; LASER PULSES; LASER THEORY; OPTIMIZATION; PROTONS; TUNNELING (EXCAVATION);

PULSED LASER APPLICATIONS;

EID: 77953289373     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.03.089     Document Type: Article

References (44)

1. Peirce A.P., Dahleh M.A., and Rabitz H. Phys. Rev. A 37 (1988) 4950
2. Dahleh M.A., Peirce A.P., and Rabitz H. Phys. Rev. A 42 (1990) 1065
3. Balint-Kurti G.G., Zou S., and Brown A. Adv. Chem. Phys. 138 (2008) 43
4. Rabitz H., and Shi S. In: Bowman J. (Ed). Advances in Molecular Vibrations and Collision Dynamics vol. 1 (1991), JAI Press 187
5. Judson R.S., and Rabitz H. Phys. Rev. Lett. 68 (1992) 1500
6. Levis R.J., Menkir G.M., and Rabitz H. Science 292 (2001) 709
7. Moore N.P., Menkir G.M., Markevitch A.N., Graham P., and Levis R.J. In: Gordon R.J. (Ed). Laser Control and Manipulation of Molecules. ACS Symposium Series in Chemistry (2001), American Chemical Society, Washington, DC
8. Sharma S., Sharma P., Singh H., and Balint-Kurti G.G. J. Mol. Model. 15 (2008) 623
9. Singh H., Sharma S., Kumar P., Harvey J.N., and Balint-Kurti G.G. Lecture Notes in Computer Science 5102 (2008) 387
10. Shih I.-H., and Been M.D. Proc. Natl. Acad. Sci. USA (2001) 1489
11. Mavri J., Liu H., Olsson M., and Warshel A. J. Phys. Chem. B 112 (2008) 5950
12. Hammes-Schiffer S. Acc. Chem. Res. 39 (2006) 93
13. Pu J., Gao J., and Truhlar D.G. Chem. Rev. 106 (2006) 3140
14. Iyengar S.S., Sumner I., and Jakowski J. J. Phys. Chem. B 112 (2008) 7601
15. Ranaghan K.E., and Mulholland A.J. Interdiscipl. Sci.: Comput. Life Sci. 2 (2010) 78
16. Masgrau L., et al. Science 312 (2006) 237
17. Masgrau L., Ranaghan K.E., Scrutton N.S., Mulholland A.J., and Sutcliffe M.J. J. Phys. Chem. B 111 (2007) 3032
18. Friesner R.A., and Guallar V. Ann. Rev. Phys. Chem. 56 (2005) 389
19. Senn H., and Thiel W. Angew. Chem. (Int. Ed.) 48 (2009) 1198
20. Ranaghan K.E., Masgrau L., Scrutton N.S., Sutcliffe M.J., and Mulholland A.J. ChemPhysChem 8 (2007) 1816
21. Alhambra C., Sanchez M.L., Corchado J., Gao J., and Truhlar D. Chem. Phys. Lett. 347 (2001) 512 erratum: 355 (2002) 388
22. Stewart J.J.P. J. Comput. Chem. 10 (1989) 221
23. Becke A.D. J. Chem. Phys. 98 (1993) 5648
24. Stephens P.J., Devlin F.J., Chabalowski C.F., Frisch M.J., and Stewart J.J.P. J. Phys. Chem. 98 (1994) 11623
25. Francl M.M., Pietro W.J., Hehre W.J., Binkley J.S., Gordon M.S., DeFrees D.J., and Pople J.A. J. Chem. Phys. 77 (1982) 3654
26. Jaguar, version 4.1; Schrodinger: Portland, OR, 2000.
27. J.W. Ponder, Tinker - Software tools for molecular design, version 4.2, 2004.
28. MacKerell A., et al. J. Phys. Chem. B 102 (1998) 3586
29. Harvey J.N. Faraday Discuss. 127 (2004) 165
30. Claessens F., Ranaghan K.E., Manby F.R., Harvey J.N., and Mulholland A.J. Chem. Commun. (2005) 5068
31. Claeyssens F., et al. Angew. Chem. Int. Ed. 45 (2006) 6856
32. Tresadern G., Wang H., Faulder P.F., Burton N.A., and Hillier I.H. Mol. Phys. 101 (2003) 2775
33. Feit M.D., and Fleck Jr. J.A. J. Chem. Phys. 78 (1983) 301
34. Feit M.D., and Fleck Jr. J.A. J. Chem. Phys. 80 (1984) 2578
35. Tal-Ezer H., and Kosloff R. J. Chem. Phys. 81 (1984) 3967
36. Kosloff R. J. Phys. Chem. 92 (1988) 2087
37. Balint-Kurti G.G., Manby F.R., Ren Q., Artamonov M., Ho T., and Rabitz H. J. Chem. Phys. 122 (2005) 084110
38. Ren Q., Balint-Kurti G.G., Manby F.R., Artamonov M., Ho T., and Rabitz H. J. Chem. Phys. 124 (2006) 014111
39. Ahmed K., Balint-Kurti G.G., and Western C.M. J. Chem. Phys. 121 (2004) 10041
40. Beck M.H., Jckle A., Worth G.A., and Meyer H.D. Phys. Rep. 324 (2000) 1
41. Prokhorenko V.I., Nagy A.M., Waschuk S.A., Brown L.S., Birge R.R., and Miller R.J.D. Science 313 (2006) 1257
42. Costero A.M., Colera M., Gavina P., Gil S., Kubinyi M., Pal K., and Kallay M. Tetrahedron 64 (2008) 3217
43. H.-L. Dai, R.W. Field (Eds.), Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping, Advanced Ser. In Phys. Chem., vol. 4, World Scientific, Hackensack, New Jersey, 1995.
44. Kittrell C., Abramson E., Kinsey J.L., McDonald S.A., Reisner D.E., Field R.W., and Katayama D.H. J. Chem. Phys. 75 (1981) 2056