AUTHOR=Zeraati Malihe , Mohammadi Ali , Vafaei Somayeh , Chauhan Narendra Pal Singh , Sargazi Ghasem 

TITLE=RETRACTED: Taguchi-Assisted Optimization Technique and Density Functional Theory for Green Synthesis of a Novel Cu-MOF Derived From Caffeic Acid and Its Anticancerious Activities

JOURNAL=Frontiers in Chemistry

VOLUME=Volume 9 - 2021

YEAR=2021

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2021.722990

DOI=10.3389/fchem.2021.722990

ISSN=2296-2646

ABSTRACT=Taking into account the various applications of the metal organic framework (MOF) in environmental and biological aspects, the preparation of these advanced materials through the use of eco-friendly, fast and low-cost techniques is a hot issue. The organic matter of the aqueous extract of Satureja hortensis was first extracted, which included caffeic acid (CA), gallic acid, quercetin, chlorogenic acid, p-coumaric acid and ferulic acid which are key intermediate in biosynthesis of lignin. As an innovative approach, the Cu-MOF was successfully prepared using a green synthesis technique in which the CA used as a linker to connect the copper and the reaction mechanism is discussed using density functional theory. In order to achieve a discrepancy between the energy levels of the interactive precursor orbitals, the molecules have been optimized using the B3LYP/6-31 G method. Taguchi method was used to optimize the key parameters for the synthesis of Cu-MOF. Cu-MOF has shown anticancer activities against the human breast cancer (MDA-MB-468) cell lines and it could be a potent candidate for clinical applications.