Elucidation Of Structure/Activity Relationship And Inhibition Mechanism Of Tannin Monomers From Computational Chemistry Perspectives.

Adnan, Rohana and Abd. Rahim, Afidah and Musa, Noor Hamdah (2005) Elucidation Of Structure/Activity Relationship And Inhibition Mechanism Of Tannin Monomers From Computational Chemistry Perspectives. Project Report. Universiti Sains Malaysia.

[img]
Preview
PDF
Download (4Mb) | Preview

    Abstract

    Suatu kajian permodelan molekul telah dijalankan ke atas katecin, suatu flavanoid tanin dengan fonnula molekul ClsH120S0HH dan Fe3 + membentuk kompleks ferik tanat, Kaedah yang digunakan adalah semi empirikal, AMI dan kaedah B3PW91/6-3IG** dan teori fungsi densiti (DFT), yang masing-masing terdapat dalam perisian CAChe version 5.0 dan Gaussian 03. A molecular modeling study of catechin, a flavanoid of tanin, with a molecular formula of C1sHI20S0HH with Fe3 +, to form ferric-tannate complex, was performed using semi empirical AMI method available on CAChe version 5.0 and density functional theory (DFT), B3PW9116-31G** on Gaussian 03 programmes.

    Item Type: Monograph (Project Report)
    Subjects: Q Science > QD Chemistry > QD1-999 Chemistry
    Divisions: Pusat Pengajian Sains Kimia (School of Chemistry)
    Depositing User: Mr Erwan Roslan
    Date Deposited: 14 Aug 2009 10:20
    Last Modified: 13 Jul 2013 12:46
    URI: http://eprints.usm.my/id/eprint/11703

    Actions (login required)

    View Item
    Share