electronic structure and properties of anticancer active molecule ansa-titanocene dichloride
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چکیده
منابع مشابه
Electronic Structure and Properties of Anticancer Active Molecule Ansa-titanocene Dichloride
A DFT study of the electronic properties of ansa-titanocene dichloride is reported. Molecular orbital analysis, polarizability, hyperpolarizability, thermodynamic analysis and natural bond orbital (NBO) theory are the main aim of the present research. The computed structural parameters show a good agreement with the similar experimental results. The calculated HOMO and LUMO energies show that c...
متن کاملCytotoxic studies of substituted titanocene and ansa-titanocene anticancer drugs.
A variety of substituted titanocene and ansa-titanocene complexes have been synthesized and characterized using traditional methods. The cytotoxic activity of the different titanocene complexes was tested against tumour cell lines human adenocarcinoma HeLa, human myelogenous leukemia K562, human malignant melanoma Fem-x and normal immunocompetent cells, peripheral blood mononuclear cells PBMC. ...
متن کاملActive site nature of magnesium dichloride-supported titanocene catalysts in olefin polymerization
Heterogeneous Ziegler-Natta and homogeneous metallocene catalysts exhibit greatly different active sitenature in olefin polymerization. In our previous study, it was reported that MgCl2-supported titanocenecatalysts can generate both Ziegler-Natta-type and metallocene-type active sites according to the type of activators.The dual active site nature of the supported titanocene catalysts was furt...
متن کاملinvestigation of the electronic properties of carbon and iii-v nanotubes
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
15 صفحه اولThe addition of a pregnenolone pendant group enhances the anticancer properties of titanocene dichloride in a mcf-7 xenograft model.
BACKGROUND/AIM Titanocene dichloride held great promise as a chemotherapeutic compound in pre-clinical studies. However, subsequent clinical trials revealed hepatoxicity and nephrotoxicity, which limited its use in clinical applications. Therefore, we used steroid pendant groups to improve the targeting of titanocene in MCF-7 breast cancer cells, and demonstrated a 10-fold lower effective dose ...
متن کاملansa-Metallocene derivatives XXI *. Syntheses of etheno-bridged ansa-titanocene derivatives by the McMurry reaction
207 Novel olefin-linked biscylopentadienylligands have been prepared by McMurry coupling reactions of benzoyland acetyl-cyclopentadienyl sodium. Reactions of the disodium salts with TiC1 4 or TiCl 3 • 3THF afford the alkene-bridged ansa-titanocene dichlorides. 13C-NMR shifts of the bridge carbon atoms do not indicate any interaction between the olefin 'IT-system and the metal.
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عنوان ژورنال:
quarterly journal of applied chemical researchناشر: islamic azad university, karaj branch
ISSN 2008-3815
دوره 9
شماره 1 2015
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