Structure analysis of dipeptides in water by exploring and utilizing the structural sensitivity of amide III by polarized visible Raman, FTIR-spectroscopy and DFT based normal coordinate analysis

Journal of Physical Chemistry B

Volumn 106, Issue 16, 2002, Pages 4294-4304

  Schweitzer Stenner, Reinhard ^a   Eker, Fatma ^a   Huang, Qing ^a   Griebenow, Kai ^a   Mroz, Piotr A ^b   Kozlowski, Pawel M ^b  

^a UNIVERSITY OF PUERTO RICO   (Puerto Rico)

^b UNIVERSITY OF LOUISVILLE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HELICAL STRUCTURES;

COMPOSITION; DECOMPOSITION; FOURIER TRANSFORM INFRARED SPECTROSCOPY; POLARIZATION; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; RAMAN SPECTROSCOPY; STRUCTURAL ANALYSIS;

NATURAL POLYMERS;

EID: 0037172179     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0137118     Document Type: Article

References (43)

1. Lord, A.C. Appl. Spectrosc. 1977, 31, 187.
2. Williams, R.W.; Weaver, J.L. and Lowrey, A.H. Biopolymers 1990, 30, 599.
3. Jordan, T.; Spiro, T.G. J. Raman Spectrosc. 1994, 25, 537. Lord, A.C. Appl. Spectrosc. 1977, 31, 187. Williams, R.W.; Weaver, J.L.; Lowrey, A.H. Biopolymers 1990, 30, 599.
4. Jordan, T.; Spiro, T.G. J. Raman Spectrosc. 1994, 25, 537. Lord, A.C. Appl. Spectrosc. 1977, 31, 187. Williams, R.W.; Weaver, J.L.; Lowrey, A.H. Biopolymers 1990, 30, 599.
5. Jordan, T.; Spiro, T.G. J. Raman Spectrosc. 1994, 25, 537. Lord, A.C. Appl. Spectrosc. 1977, 31, 187. Williams, R.W.; Weaver, J.L.; Lowrey, A.H. Biopolymers 1990, 30, 599.
6. Ianoul, A.; Boden, M.N.; Asher, S.A. J. Am. Chem. Soc. 2001, 123, 7433.
7. The φ-values were obtained by calculating the respective side chain average φ-angle propensity by utilizing the study of Serrano, L. J. Mol. Biol. 1995, 254, 322.
8. Asher, S.A.; Ianoul, A.; Mix, G.; Boyden, M.N.; Karnoup, AQ.; Diem, M.; Schweitzer-Stenner, R. J. Am. Chem. Soc. 2001, 123, 11775.
9. Chi, Z.; Chen, X.G.; Holtz, J.S.W.; Asher, S.A. Biochemistry 1998, 37, 2854.
10. Chi, Z, Asher, S.A. Biochemistry 1998, 37, 2865.
11. Mirkin, N.; Krimm, S. J. Phys. Chem B 2001, in press.
12. In agreement with earlier studies we use the term dipeptides, tripeptides, etc, for molecules containing two, three, etc. amino acid residues.
13. Sieler, G.; Schweitzer-Stenner, R.; Holtz, J.S.W.; Pajcini, V.; Asher, S.A. J. Phys. Chem. B 1999, 103, 372.
14. Oboodi, M.R.; Alva, C.; Diem, M. J. Phys. Chem. 1984, 88, 501.
15. Diem, M.; Lee, O.; Roberts, G.M. J. Phys. Chem. 1992, 96, 548.
16. Fogarasi, G.; Zhou, X.; Taylor, P.W.; Pulay, P. J. Am. Chem. Soc. 1992, 114, 8191.
17. Sieler, G.; Schweitzer-Stenner, R. J. Am. Chem. Soc. 1997, 119, 1720.
18. Griebenow, K.; Diaz Laureano, Y.; Santos, A.M.; Montañez Clemente, I.; Rodriguez, L.; Vidal, M.; Barletta, G. J. Am. Chem. Soc. 1999, 121, 8157.
19. Jentzen, W.; Unger, E.; Karvounis, G.; Shelnutt, J.A.; Dreybrodt, W.; Schweitzer-Stenner, R. J. Phys. Chem. 1996, 100, 14 184.
20. Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Zarzewski, V.G.; Montgomery, J.A., Jr.; Stratman, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A.D.; Kudin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo C.; Clifford, S.; Ochterski, J.; Peterson, J.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K.; Rabuck, A.D.; Ragvachakari, K.; Foresman, J.B.; Cioslowski, J.; Ortiz, J.V.; Baboul, A.G.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkare, A.; Challacombe, M.; Gill, P.M.W.; Johnson, B.; Chen, W.; Wong, M.W.; Andres, J.L.; Gonzales, C.; Head-Gordon, M.; Replodge, R.S.; Pople, J.A. Gaussian; Inc.: Pittsburgh, PA, 1998.
21. Pulay, P., Fayetteville, AR 1990; Theor. Chim. Acta 1979, 50, 229.
22. Pulay, P.; Gogarasi, G.; Pongor, G.; Boggs, J.E.; Vargha, A. J. Am. Chem. Soc. 1983, 105, 7037.
23. Rauhut, G.; Pulay, P. J. Phys. Chem. 1995, 99, 3093.
24. Schweitzer-Stenner, R. J. Raman Spectrosc. 2001, 32, 711.
25. Shang, H.S.; Head-Gordon, T. J. Am. Chem. Soc. 1994, 116, 1528.
26. Han, W.-G.; Jakanen, K.J.; Elstner, M.; Suhai, S. J. Phys. Chem. B 1998, 102, 2587.
27. Knapp-Mohammady, M.; Jalkanen, K.J.; Nardi, F.; Wade, R.C.; Suhai, S. Chem. Phys. 1999, 240, 63.
28. Chen, X.G.; Li, P.; Holtz, J.S.W.; Chi, Z.; Pajcini, V.; Asher, SA.; Kelly, L.A. J. Am. Chem. Soc. 1996, 118, 9705.
29. Pajcini, V.; Chen, X.G.; Bormett, W.; Geib, S.J.; Asher, S.A. J. Am. Chem. Soc. 1996, 118, 9716.
30. Weir, A.F.; Lowrey, A.H.; Williams, R.W. Biopolymers 2001, 58, 577.
31. Chen, X.G.; Asher, S.A.; Schweitzer-Stenner, R.; Mirkin, N.G.; Krimm, S. J. Am. Chem. Soc. 1995, 117, 2884.
32. Shorigyn, P.P. Usp. Khim. 1971, 40, 694.
33. Leites, L.A.; Bukalov, S.S. J. Raman Spectrosc. 2001, 32, 413.
34. Chen, X.G.; Schweitzer-Stenner, R.; Asher, SA.; Mirkin, N.G.; Krimm, S. J. Phys. Chem. 1995, 99, 3074.
35. Serrano, L. J. Mol. Biol. 1995, 254, 322.
36. Karplus, M.A. Protein Science 1996, 5, 1406.
37. Schweitzer-Stenner, R.; Eker, F.; Huang, Q.; Griebenow, K. J. Am. Chem. Soc. 2001, 123, 9628.
38. Schweitzer-Stenner, R. Biophys. J. 2002, in press.
39. Mix, G.; Schweitzer-Stenner, R.; Asher, SA. J. Am. Chem. Soc. 2000, 132, 9028.
40. Ford, S.J.; Wen, Z.Q.; Hecht, L.; Barron, L.D. Biopolymers 1994, 34, 303.
41. Woutersen, S.; Hamm, P. J. Phys. Chem B 2000, 104, 11 316.
42. Pulay, P. In Applications of Electronic Structure Theory; Schaefer, H.F., IIII.; Ed.; Plenum Press: New York, 1977; p 153.
43. Mix, G. Doctoral Thesis, Universität Bremen, 2000.