Spectral (DFT-IR, FT-IR and UV) similarities and differences between substrate (pyruvate) and inhibitor (oxamate) of lactic dehydrogenase (LDH)

Vibrational Spectroscopy

Volumn 37, Issue 1, 2005, Pages 77-82

  Duczmal, Kinga ^a   Darowska, Małgorzata ^a   Raczyńska, Ewa D ^a  

^a Agricultural University (SGGW)   (Poland)

Author keywords

Carboxylic anion and carbonyl stretching; FT IR; Oxamates; Pyruvates; Vibrational spectra

Indexed keywords

CARBOXYLIC ANION AND CARBONYL STRETCHING; FT-IR; OXAMATES; PYRUVATES; VIBRATIONAL SPECTRA;

COMPLEXATION; ENZYMES; HYDRATION; HYDROGEN BONDS; QUANTUM THEORY; SALTS; SYNTHESIS (CHEMICAL); ULTRAVIOLET SPECTROSCOPY;

FOURIER TRANSFORM INFRARED SPECTROSCOPY;

EID: 11344288079     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2004.06.006     Document Type: Article

References (25)

1. E. Gawlita, P. Paneth, and V.E. Anderson Biochemistry 34 1995 6050
2. A.R. Clarke, D.B. Wigley, W.N. Chia, D.A. Barstaw, T. Atkinson, and J.J. Holbrook Nature 324 1986 699
3. P. O'Carra, and S. Barry M. Jakoby M. Wilchek Methods in Enzymology 1974 Academic Press London
4. R.I. Brinkworth, C.J. Masters, and D.J. Winzor Biochem. J. 151 1975 631
5. E.A. Sevriukov, and L.P. Evseev Vopr. Med. Khim. 40 1994 23
6. I. Safarik, and M. Safarikova J. Chromatogr. B772 1999 33
7. W. Rach, and G. Gattow Z. Anorg. Allg. Chem. 562 1988 160
8. M. Kakihana, and M. Okamoto J. Phys. Chem. 88 1984 1797
9. G.N.R. Tripathi, and J.E. Katon Spectrochim. Acta 35A 1979 401
10. F. Wallace, and E. Wagner Spectrochim. Acta 34A 1978 589
11. R.G. Parr, and W. Yang Density Functional Theory of Atoms and Molecules 1989 Oxford University Press New York
12. A.D. Becke J. Chem. Phys. 98 1993 5648
13. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
14. W.J. Hehre, L. Radom, P.V.R. Schleyer, and J.A. Pople Ab initio Molecular Theory 1986 Wiley New York
15. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Jr. Montgomery, 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. Oritz, A.G. Baboul, 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, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Gaussian Inc., Pittsburgh, PA, 1998.
16. E. Górnicka, and E.D. Raczyńska Talanta 57 2002 609
17. G. Schaftennar, and J.H. Noordik Comput. aided Mol. Des. 14 2000 123
18. X. Yang, G. Orlova, X.J. Zhou, and K.T. Leung Chem. Phys. Lett. 380 2003 34
19. S.S. Tavale, L.M. Pant, and A.B. Biswas Acta Cryst. 14 1961 1281
20. W. Rach, G. Kiel, and G. Gattow Anorg. Z. Allog. Chem. 563 1988 87
21. C.B. Aekeröy, D.P. Hughes, and M. Nieuwenhuyzen J. Am. Chem. Soc. 118 1996 10134
22. K. Nakamoto, and P.J. McCarty Spectroscopy and Structure of Metal Chelate Compounds 1968 J. Wiley New York
23. J.F. Arnett, D.B. Larson, and S.P. McGlynn J. Am. Chem. Soc. 95 1973 7599
24. C.N.R. Rao, Ultra-Violet and Visible Spectroscopy, Chemical Applications, Butterworths, London, 1975.
25. A.M. Palafox Int. Quantum Chem. 77 2000 661