The paper explores annomontine's anticancer potential through ADMET profiling, DFT analysis, target prediction, molecular docking, and cytotoxicity testing on cancer cells.
Abstract
EGFR is an important target for cancer t...
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The Al-doped ZnO catalyst has a lower work function, which is conducive to promoting the dissociation of CHxO* to form CHx*; it also facilitates the generation of Znx+ and oxygen vacancies, which further promotes the generation of C2+OH.
The direct conversion of syngas into C2+OH has attracted significant attention as a potential pathway for energy conversion. However, this process typically requires the use of precious metals or the collaborative action of multi-component catalysts, making it relatively complex. In this paper, simple and economical Al-doped ZnO catalysts were employed for the synthesis of C2+OH. The results show that the work function, Znx+, and the relative content of oxygen vacancies are linearly related to C2+OH/ROH. When the doping amount was 7 mol%, the catalyst had the highest C2+OH/ROH (82.6 wt%), corresponding to the lowest work function value, the highest Znx+ content, and the relative content of oxygen vacancies. We reveal that the successful synthesis of C2+OH depends not only on the low work function of the Al-doped ZnO but also on the existence of the oxygen vacancies and Znx+ sites. Specifically, the low work function induced by Al doping facilitates electron transfer in the reaction, facilitating the dissociation of CHxO* into CHx*. Meanwhile, the presence of oxygen vacancies enhances the dissociative adsorption capacity of CO and facilitates the formation of CHx* species. The Znx+ sites serve as active centers for carbon chain growth, promoting C–C coupling through the insertion of CO or CHxO* into CHx*, thereby achieving chain elongation.
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