Author, Subjects, Keywords

Cited Author

 
 
   » By Author or Editor
 » Browse Author by Alphabet
 » By Journal
 » By Subjects
 » Malaysian Journals
 » By Type
 » By Year
 » By Latest Additions
 
 
   » By Author
 » Top 20 Authors
 » Top 20 Article
 » Top Journal Cited
 » Top Article Cited
 » Journal Citation Statistics
 » Usage Since Sept 2007


 
 
 

Login | Create Account

Ab initia Geometry-Optimization and NMR Studies of Chemical Constituents of Piper sarmentosum

Noorbatcha I., and Hassan S., and A. Hamid A. Hadi, and Khalijah Awang, and , (2002) Ab initia Geometry-Optimization and NMR Studies of Chemical Constituents of Piper sarmentosum. Malaysian Journal of Science, 21 (1 & 2). pp. 143-147. ISSN 1394-3065

Full text not available from this repository.

Official URL: http://www.um.edu.my/FS

Affiliations

International Islamic University, Faculty of Science, Centre for Computational and Thereotical Sciences, Malaysia
University of Malaya, Faculty of Science, Dept. of Chemistry, Malaysia

Abstract

The structures of two compounds, γ-asarone (1-ally1-2,4,5-trimethoxybenzene) $\mathbf{1}$ and asarylaldehyde (2,4,5-trimethoxybenzaldehyde) $\mathbf{2}$ from $Piper$ $sarmentosum$, locally known as ‘kaduk’, have been studied by HNMR, CNMR spectroscopy and quantum chemical calculations. The NMR shifts are calculated using Hartree Fock (HF) and Density Functional Theory (DFT) methods. We find that the $ab$ $initio$ calculations are very useful in assigning the NMR peaks and provide insights on the electronic factors affecting the NMR shifts.

Item Type:Journal
Keywords:piper sarmentosum, ab initio, HF, DFT, NMR
Subjects:Q Science, Computer Science
ID Code:1724

1. Hsuan K. (1978). Order and families of Malayan Seed Plants, Singapore University Press.

2. Parrnar, S.V., Jam, S.C., Bisht, K.S., Taneja, P., Jha, A., Tyagi, O.D. Prasad, A.K., Wengel, J., Olsen, C.A. and Boll, P.R. (1997). Phytochemistry 46: 587-673.

3. Zhang, S.X., Chen, Ke., Liu, X.J., Zhang, D.C., Tao-Wiedmann, T.W., Leu, S.L., McPhail, A.T. and Lee, K.H. (1995). J Natural Prod. 58: 540-547.

4. Ridley, H.N. (1967). The Flora of the Malayan Peninsula IV, p. 25.

5. Burkhill, I.H. (1966). A dictionary of economic products of the Malay Peninsular, 2 ed., Ministry of Agriculture and Cooperative, Kuala Lumpur.

6. Zakaria M. and Mustafa A.M. (1997). Traditional Malay Medicinal Plants, Penerbit Fajar Bakti sdn. Bhd., Malaysia, p. 785

7. Masuda, T., Inazumi, A., Yamada, Y., Padolina, W.G., Kikuzaki, H. and Nakatani, N. (1991). Phytochemistry 30: 3227-8.

8. Devgan, O.N. and Bokadi, M.M. (1968). Aust. J. Chem. 21: 3001-3.

9. Gaussian, 98, Revision, A.7, Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Zakrzewski, V.G., Montgomery, Jr. J.A., Stratmann, R.E. Burant, J.C., Dapprich, S., Millam, J.M., Daniels, A.D., Kudin, K.N., Strain, MC., Farkas, 0., Tomasi, J., Barone, V., Cossi, M., Cammi, R., Mennucci, B., Pomelli, C., Adamo, C., Clifford, S., Ochterski, J., Petersson, G.A., Ayala, P.Y., Cui, Q., Morokuma, K., Malick, D.K., Rabuck, A.D., Raghavachari, K., Foresman, J.B., Cioslowski, J., Urtiz, 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., Nanayalckara, A., Gonzalez, C., Challacombe, M., Gill, P.M.W., Johnson, B., Chen, W., Wong, M.W., Andres, J,L., Gonzalez, C., HeadGordon, M., Replogle, E.S. and Pople, J.A. (1998). Gaussian, Inc., Pittsburgh PA.

10. Becke, A.D. (1993). J. Chem. Phys. 98: 5648.

11. Lee, C., Yang, W. and Parr, R.G. (1988). Phys. Rev. B 37: 785.

12. Wolinski, W., Hilton, J.F. and Pulay, P. (1990). J. Am. Chem. Soc. 112: 8251.

13. Dodds, J. L., McWeeny, R. and Sadlej, A. J. (1980). Mol. Phys. 41: 1419

14. Ditchfield, R. (1974). Mol. Phys. 27: 789

15. Highet, R. J. and Highet, P. F. (1965). J. Am. Chem. Soc. 88: 902-6.

Repository Staff Only: item control page
 
 
 
 
 
 
© Copyright 2007 MyAIS Faculty of Computer Science and Information Technology, University of Malaya – All Rights Reserved. Malaysian Abstracting and Indexing System is powered by EPrints 3 which is developed by the School of Electronics and Computer Science at the University of Southampton. More information and software credits.