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    Mechanisms and kinetics of Thiotepa and tepa hydrolysis: DFT study

    , Article Journal of Molecular Modeling ; Volume 18, Issue 8 , 2012 , Pages 3563-3576 ; 16102940 (ISSN) Torabifard, H ; Fattahi, A ; Sharif University of Technology
    Springer  2012
    Abstract
    N,N′,N″-triethylenethiophosphoramide (Thiotepa) and its oxo analogue (Tepa) as the major metabolite are trifunctional alkylating agents with a broad spectrum of antitumor activity. In vivo and vitro studies show alkylation of DNA by Thiotepa and Tepa can follow two pathways, but it remains unclear which pathway represents the precise mechanism of action. In pathway 1, these agents are capable of forming cross-links with DNA molecules via two different mechanisms. In the first mechanism, the ring opening reaction is initiated by protonating the aziridine, which then becomes the primary target of nucleophilic attack by the N7-Guanine. The second one is a direct nucleophilic ring opening of... 

    Hydrolysis kinetics of lead silicate glass in acid solution

    , Article Journal of Nuclear Materials ; Volume 389, Issue 3 , 2009 , Pages 427-431 ; 00223115 (ISSN) Rahimi, R. A ; Sadrnezhaad, Kh ; Raisali, G ; Hamidi, A ; Sharif University of Technology
    2009
    Abstract
    Hydrolysis kinetics of the lead silicate glass (LSG) with 40 mol% PbO in 0.5 N HNO3 aqueous acid solution was investigated. The surface morphology and the gel layer thickness were studied by scanning electron microscopy (SEM) micrographs. Energy dispersive X-ray spectroscopy (EDS) and inductively coupled plasma spectroscopy (ICP) were used to determine the composition of the gel layer and the aqueous solution, respectively. The silicon content of the dissolution products was determined by using weight-loss data and compositions of the gel layer and the solution. The kinetic parameters were determined using the shrinking-core-model (SCM) for rate controlling step. The activation energy... 

    Multicomponent nanoparticles as means to improve anaerobic digestion performance

    , Article Chemosphere ; Volume 283 , 2021 ; 00456535 (ISSN) Baniamerian, H ; Ghofrani Isfahani, P ; Tsapekos, P ; Alvarado Morales, M ; Shahrokhi, M ; Angelidaki, I ; Sharif University of Technology
    Elsevier Ltd  2021
    Abstract
    Sufficient quantity of trace metals is essential for a well performing anaerobic digestion (AD) process. Among the essential trace elements in active sites of multiple important enzymes for AD are iron and nickel ions. In the present study, iron and nickel in the form of Fe2O3 and NiO were coated on TiO2 nanoparticles to be used in batch and continuous operation mode. The effect of TiO2, Fe2O3–TiO2, and NiO–TiO2 nanoparticles on each step of AD process was assessed utilizing simple substrates (i.e. cellulose, glucose, acetic acid, and mixture of H2–CO2) as well as complex ones (i.e. municipal biopulp). The hydrolysis rate of cellulose substrate increased with higher dosages of the coated...