Vibrational spectroscopy and DFT calculations of amino acid derivatives: N-acetyl-L-Asp and N-acetyl-L-Glu in the solid state

Journal of Raman Spectroscopy

Volumn 40, Issue 6, 2009, Pages 670-678

  Kausar, Nighat ^a   Alexander, Bruce D ^a   Dines, Trevor J ^b   Withnall, Robert ^c   Chowdhry, Babur Z ^a  

^a UNIVERSITY OF GREENWICH   (United Kingdom)

^b UNIVERSITY OF DUNDEE   (United Kingdom)

^c BRUNEL UNIVERSITY   (United Kingdom)

Author keywords

FT IR spectroscopy; N acetyl L Asp N acetyl L Glu; Raman spectroscopy; Spectral assignments; Trans conformation

Indexed keywords

AMINO ACIDS; DENSITY FUNCTIONAL THEORY; MOLECULES; POTENTIAL ENERGY; SPECTROSCOPIC ANALYSIS; VIBRATIONAL SPECTROSCOPY;

AMINO ACID DERIVATIVES; DENSITY-FUNCTIONAL THEORY CALCULATIONS; FT-IR SPECTROSCOPY; N ACETYLS; N-ACETYL-L-ASP/N-ACETYL-L-GLU; RAMAN AND IR SPECTRUM; SPECTRAL ASSIGNMENTS; SPECTROSCOPIC STUDIES; TRANS CONFORMATIONS;

VIBRATIONAL SPECTRA;

EID: 67749148298     PISSN: 03770486     EISSN: 10974555     Source Type: Journal    
DOI: 10.1002/jrs.2180     Document Type: Article

References (46)

1. A. L. Lehinger, Principles of Biochemistry, CBS Publishers and Distributors: Delhi, 1987, pp 97.
2. A. Pawlukojc, J. Leciejewicz, J. Tomkinson, S. F. Parker, Spectrochim. Acta, Part A 2002, 58, 2897.
3. M. Chitra, S. M. Sharma, S. Karmakar, S. K. Sikka, Physica B 2003, 339, 23.
4. S. Shigeto, D. D. Dlott, Chem. Phys. Lett. 2007, 447, 134.
5. M. Chen, Z. Lin, J. Chem. Phys. 2007, 127, 154314.
6. S. T. Rao, R. Crinivasan, V. Valambal, Indian J. Pure Appl. Phys. 1968, 6, 523.
7. P. I. Nagy, B. Noszal, J. Phys. Chem. A 2000, 104, 6834.
8. T. Kimura, N. Matubayasi, H. Sato, F. Hirata, M. Nakahara, J. Phys. Chem. B 2002, 106, 12336.
9. P.M. Matsres, J.LBada, J. S. Zigler Jr, Proc. Natl. Acad. Sci. U.S.A. 1978, 75, 1204.
10. W. H. Garner, A. Spector, Proc. Natl. Acad. Sci. U.S.A. 1978, 75, 3618.
11. S. Maeda, S. Eguchi, H. Sasaki, J. Home Econ. 1958, 9, 163.
12. D.B. Hudson, T. Valcana, G. Bean, P. S. Timiras, Neurochem. Res. 1976, 1, 73.
13. P. F. Taday, I. V. Bradley, D.D. Arnone, J. Biol. Phys. 2003, 29, 18.
14. J. R. Moffett, B. Ross, P. Arun, C. N. Madhavarao, Prog. Neurobiol. 2007, 81, 89.
15. K. K. Bhakoo, T. Craig, D. Pearce, Adv. Exp. Med. Biol. 2006, 576, 27.
16. R. W. Ledeen, J. F. Wang, G. S. Wu, Z. H. Lu, Adv. Exp. Med. Biol. 2006, 576, 131.
17. J.V. Audtoe, L. Wade, E.J. Olson, J. Neurochem. 1966, 73, 1149.
18. A. J. Dobson, R. E. Gerkin, Acta Crystallogr., Sect. C 1997, 53, 73.
19. G. M. Lipkind, S. F. Arkhipova, N. V. Budkovskaia, E.M. Popov, Mol. Biol. 1974, 8, 902.
20. M. Q. Cheng, L. F. Ma, L. Y. Wang, Chin. J. Chem. 2007, 25, 498.
21. M.Q. Cheng, L. F. Ma, L. Y. Wang, J.G. Wang, Chin. J. Struct. Chem. 2006, 25, 1375.
22. M.F. Masman, M. A. Zamora, Am. Rodrguez, N.G. Fidanza, N. M. Perchena, R. D. Enriz, I. G. Csizmadia, Eur. Phys. J. D 2002, 20, 531.
23. E. Benedeif, C. Jelsch, Acta Crystallogr., Sect. C 2007, 63, 361.
24. J.T. L. Navarrette, V. Hernandez, F.J. Ramirez, J. Mol. Struct. 1995, 348, 249.
25. P. Dhamelincourt, F.J. Remerez, J. Raman Spectrosc. 1991, 22, 577.
26. J. T. L. Navarrette, L. Bencivenni, F. Ramondo, V. Hernandez, F. J. Ramirez, J. Mol. Struct. THEOCHEM 1995, 330, 261.
27. V. N. Sankaran, R. S. Krishnan, Indian J. PureAppl. Phys. 1972, 10, 382.
28. R. B. Hammond, K. Pencheva, K. J. Roberts, Cryst. Growth Des. 2007, 7, 875.
29. N. P. Wancheck, J. G. Grasselli, Appl. Spectrosc. 1967, 21, 227.
30. M.T. Nguyen, K. Wael, T. Zeegers-Huyskens, J. Phys. Chem. 1995, 99, 9739.
31. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery Jr, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J.V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle J. A. Pople, Gaussian 98, Revision A.6, Gaussian, Inc.: Pittsburgh, PA, 1998.
32. A. D. Becke, J. Chem. Phys 1993, 98, 5648.
33. C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785.
34. J. A. Schachtschneider, Vibrational analysis of polyatomic molecules, Parts V and VI. Technical Report Nos. 231 and 57, Shell Development Co.: Houston, TX, 1964 and 1965.
35. P. Pulay, G. Fogarasi, F. Pang, J. E. Boggs, A. Vargha, J. Am. Chem. Soc. 1983, 105, 7037.
36. M. Diem, J. Am. Chem. Soc. 1988, 110, 6967.
37. A. K. Dioumaev, Biochemistry 2001, 66, 1269.
38. J. T. Edsall, J. Chem. Phys. 1937, 5, 50.
39. B.J. M. Rajkumar, V. Ramakrichnan, R. K. Rajaram, Spectrochim. Acta, Part A 1998, 54, 1527.
40. M. B. Mary, V. Ramakrishnan, Spectrochim. Acta, PartA 2005, 62, 164.
41. J.T. L. Navarrette, V. Hernandez, F.J. Ramirez, Biopolymers 1994, 34, 1065.
42. H. F. Sgurvell, F.J. Bergin, J. Raman. Spectrosc. 1989, 20, 163.
43. W. Sun, G. R. Kinsel, D. S. Marynick, J. Phys. Chem. A 1999, 103, 4113.
44. P. Dhamelincourt, F.J. Ramirez, J. Raman Spectrosc. 1991, 22, 577.
45. N. Derbel, B. Hernandez, J. Liquier, J. Phys. Chem. B 2007, 111, 1470.
46. N. E. Zhukhlistova, V. I. Smirnova, G. N. Tischenko, L. B. Piotrovskii, M. A. Dumpis, N. YuMarasanova, Kristallografiya 1990, 35, 878.