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

In this paper, we have reported an innovative greener method for developing copper-metal organic frameworks (Cu-MOFs) using caffeic acid (CA) as a linker extracted from Satureja hortensis using ultrasonic bath. The density functional theory is used to discuss the Cu-MOF-binding reaction mechanism. I...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Malihe Zeraati, Ali Mohammadi, Somayeh Vafaei, Narendra Pal Singh Chauhan, Ghasem Sargazi
Formato:	article
Lenguaje:	EN
Publicado:	Frontiers Media S.A. 2021
Materias:	Cu-MOF anticancer Satureja hortensis green synthesis lignin Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/b5966d1f2e19448d891a6c1abf9d9008
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:b5966d1f2e19448d891a6c1abf9d9008
record_format	dspace
spelling	oai:doaj.org-article:b5966d1f2e19448d891a6c1abf9d90082021-12-01T05:12:25ZTaguchi-Assisted Optimization Technique and Density Functional Theory for Green Synthesis of a Novel Cu-MOF Derived From Caffeic Acid and Its Anticancerious Activities2296-264610.3389/fchem.2021.722990https://doaj.org/article/b5966d1f2e19448d891a6c1abf9d90082021-11-01T00:00:00Zhttps://www.frontiersin.org/articles/10.3389/fchem.2021.722990/fullhttps://doaj.org/toc/2296-2646In this paper, we have reported an innovative greener method for developing copper-metal organic frameworks (Cu-MOFs) using caffeic acid (CA) as a linker extracted from Satureja hortensis using ultrasonic bath. The density functional theory is used to discuss the Cu-MOF-binding reaction mechanism. In order to achieve a discrepancy between the energy levels of the interactive precursor orbitals, the molecules have been optimized using the B3LYP/6–31G method. The Taguchi method was used to optimize the key parameters for the synthesis of Cu-MOF. FT-IR, XRD, nitrogen adsorption, and SEM analyses are used to characterize it. The adsorption/desorption and SEM analyses suggested that Cu-MOF has a larger surface area of 284.94 m2/g with high porosity. 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.Malihe ZeraatiAli MohammadiSomayeh VafaeiNarendra Pal Singh ChauhanGhasem SargaziFrontiers Media S.A.articleCu-MOFanticancerSatureja hortensisgreen synthesisligninChemistryQD1-999ENFrontiers in Chemistry, Vol 9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Cu-MOF anticancer Satureja hortensis green synthesis lignin Chemistry QD1-999
spellingShingle	Cu-MOF anticancer Satureja hortensis green synthesis lignin Chemistry QD1-999 Malihe Zeraati Ali Mohammadi Somayeh Vafaei Narendra Pal Singh Chauhan Ghasem Sargazi Taguchi-Assisted Optimization Technique and Density Functional Theory for Green Synthesis of a Novel Cu-MOF Derived From Caffeic Acid and Its Anticancerious Activities
description	In this paper, we have reported an innovative greener method for developing copper-metal organic frameworks (Cu-MOFs) using caffeic acid (CA) as a linker extracted from Satureja hortensis using ultrasonic bath. The density functional theory is used to discuss the Cu-MOF-binding reaction mechanism. In order to achieve a discrepancy between the energy levels of the interactive precursor orbitals, the molecules have been optimized using the B3LYP/6–31G method. The Taguchi method was used to optimize the key parameters for the synthesis of Cu-MOF. FT-IR, XRD, nitrogen adsorption, and SEM analyses are used to characterize it. The adsorption/desorption and SEM analyses suggested that Cu-MOF has a larger surface area of 284.94 m2/g with high porosity. 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.
format	article
author	Malihe Zeraati Ali Mohammadi Somayeh Vafaei Narendra Pal Singh Chauhan Ghasem Sargazi
author_facet	Malihe Zeraati Ali Mohammadi Somayeh Vafaei Narendra Pal Singh Chauhan Ghasem Sargazi
author_sort	Malihe Zeraati
title	Taguchi-Assisted Optimization Technique and Density Functional Theory for Green Synthesis of a Novel Cu-MOF Derived From Caffeic Acid and Its Anticancerious Activities
title_short	Taguchi-Assisted Optimization Technique and Density Functional Theory for Green Synthesis of a Novel Cu-MOF Derived From Caffeic Acid and Its Anticancerious Activities
title_full	Taguchi-Assisted Optimization Technique and Density Functional Theory for Green Synthesis of a Novel Cu-MOF Derived From Caffeic Acid and Its Anticancerious Activities
title_fullStr	Taguchi-Assisted Optimization Technique and Density Functional Theory for Green Synthesis of a Novel Cu-MOF Derived From Caffeic Acid and Its Anticancerious Activities
title_full_unstemmed	Taguchi-Assisted Optimization Technique and Density Functional Theory for Green Synthesis of a Novel Cu-MOF Derived From Caffeic Acid and Its Anticancerious Activities
title_sort	taguchi-assisted optimization technique and density functional theory for green synthesis of a novel cu-mof derived from caffeic acid and its anticancerious activities
publisher	Frontiers Media S.A.
publishDate	2021
url	https://doaj.org/article/b5966d1f2e19448d891a6c1abf9d9008
work_keys_str_mv	AT malihezeraati taguchiassistedoptimizationtechniqueanddensityfunctionaltheoryforgreensynthesisofanovelcumofderivedfromcaffeicacidanditsanticanceriousactivities AT alimohammadi taguchiassistedoptimizationtechniqueanddensityfunctionaltheoryforgreensynthesisofanovelcumofderivedfromcaffeicacidanditsanticanceriousactivities AT somayehvafaei taguchiassistedoptimizationtechniqueanddensityfunctionaltheoryforgreensynthesisofanovelcumofderivedfromcaffeicacidanditsanticanceriousactivities AT narendrapalsinghchauhan taguchiassistedoptimizationtechniqueanddensityfunctionaltheoryforgreensynthesisofanovelcumofderivedfromcaffeicacidanditsanticanceriousactivities AT ghasemsargazi taguchiassistedoptimizationtechniqueanddensityfunctionaltheoryforgreensynthesisofanovelcumofderivedfromcaffeicacidanditsanticanceriousactivities
_version_	1718405565679403008

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

Ejemplares similares