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The Studies On The Biological Activity And Quantization Calculation Of The Oxovanadium Complexes

Posted on:2005-01-09Degree:MasterType:Thesis
Country:ChinaCandidate:L R AnFull Text:PDF
GTID:2121360125452059Subject:Inorganic Chemistry
Abstract/Summary:PDF Full Text Request
Diabetes mellitus (DM) is one of the life style-related diseases as well as one of the most widespread diseases in the world. The development is required of orally active compounds and that of compounds without side effects in place of painful insulin injections. In 1921, orally administrated sodium vanadate was reported to improve DM in human diabetes. The in vitro insulin-mimetic effect of vanadium ions was confirmed later in 1979. Because V(III) is readily oxidized to V(IV) and V(V) at physio-logical pH and V(IV) is less toxic than V(V), V = O is also less toxic than VO3 -1, this paper have investigated several oxovanadium(IV) and oxovanadium (V) complexes.At chapter 1, the investigation actuality of oxovanadium complex has been summarized.At chapter 2, The program used is recited in this paper.At chapter 3, the complexes of Oxovanadium(IV): VO(ma)2, VOPA, V0(opf)2, tran-VCME, VO(metf)2, VO(S2CN(CH3)2)2 were studied with DFT by means of Gaussian 98 and with ONIOM by means of Gaussian 03. In order to compare, the complexes of cis-VCME and VOMPA were also studied in the same level.At chapter 4, the complexes VO(ma)2 and its oxidation producetions cis-[VO(ma)2O]- and cis-VO(OCH3)(ma)2 were studied with DFT and HF by means of Gaussian 98 package.At chapter 5, the studies on the complex VO(PA)2 and its substitution derivates on Py werecarried out with DFT. The regularities of the substituent( - CH3, - CH(CH3)2, -I, - Cl) effectson affecting the stability of the complexes have been investigated.At chapter 6, the studies on the oxovanadium complexes bpV(phen), bpV(bipy), bpV(pic), bpV(NH3)2, bpV(ox) and bpV(NH3) were carried out with DFT.At chapter 7, the studies on the complexes of 2, 6-bis[(R2phosphino)methyl]-Platinum-X (R =Me, Et, Ph, t-Bu; X=C1, Br)and2,6-bis-[(Ph2phosphino)ethyl]-Platinum-X(X=Cl,Br) were carried out with DFT at B3LYP/LANL2DZ level and with HF method at HF-SCF/LAN L2DZ level by means of Gaussian 98 package.
Keywords/Search Tags:oxovanadium (Ⅳ) and oxovanadium (Ⅴ) complexes, Platinum complexes, DFT, HF, ONIOM
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