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Host-guest complex properties of calix[4]arene derivatives: a DFT study of adsorption and sensing of an anticancer drug, 5-fluorouracil
(Springer Wien, 2021)
In this study, it has been reported the host-guest complex properties of calix[4]arene compounds (the 3rd generation supramolecule) against the 5-fluorouracil (5-FU) anticancer drug by density functional theory calculations ...
The rheological, mechanical and aging properties of AEM/EPDM rubber blends
(Springer Singapore Pte Ltd, 2021)
Rubbers are used in many applications in industries such as chemistry, automotive, agriculture, and aviation. However, different types of rubbers should be used to meet the end-user expectations in all these areas of use. ...
Synthesis and characterization of a novel activated carbon using nonliving lichen cetraria islandica (L.) ach. and its application in water remediation: Equilibrium, kinetic and thermodynamic studies of malachite green removal from aqueous media
(Elsevier, 2020)
Although lichens are natural and cheap sources, there is no study in the literature about the production of activated carbon from lichen species. In this study, a novel activated carbon (ACCI) from non-living lichen Cetraria ...
A Density Functional Theory study of molecular hydrogen adsorption on Mg site in OFF type zeolite cluster
(Pergamon-Elsevier Science Ltd, 2020)
In this study, hydrogen molecule adsorption was investigated on additional framework of Mg atom in OFF type zeolite by way of DFT (Density Functional Theory). The adsorption enthalpy and adsorption energy, chemical potential, ...
The synthesis of 4,4-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis(N,N-diphenylaniline) organic semiconductor and use of it as an interlayer on Au/n-Si diode
(Springer, 2019)
In the present study, firstly, a 4,4-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis(N,N-diphenylaniline) (FC) organic compound was synthesized and its structural and optical characterization were carried. Then, the effect on the ...
Removal of aniline from aqueous solution by activated kaolinite: Kinetic, equilibrium and thermodynamic studies
(Elsevier, 2019)
In this study, the adsorption kinetics, equilibrium and thermodynamics of aniline on native (NK) and acid activated (AK) kaolinites were examined. It was shown that modification of kaolinite with acid not only increases ...
Highly monodispersed palladium-ruthenium alloy nanoparticles assembled on poly(N-vinyl-pyrrolidone) for dehydrocoupling of dimethylamine-borane: An experimental and density functional theory study
(Academic Press Inc Elsevier Science, 2019)
This study reports on one of the best heterogeneous catalysts for the dehydrogenation of dimethylamineborane (DMAB). This new catalytic system consists of highly monodisperse Pd and Ru alloy nanoparticles supported by ...
PVC concrete composites: comparative study with other polymer concrete in terms of mechanical, thermal and electrical properties
(Springer, 2019)
Recycling PVC wastes with conventional chemical recycling methods such as pyrolysis, gasification is not feasible due to the carbon dioxide and dioxin emmissions generated with these methods. PVC wastes can be disposed ...
Optimization of ultrasound-assisted extraction of phenolic compounds from grapefruit (Citrus paradisi Macf.) leaves via D-optimal design and artificial neural network design with categorical and quantitative variables
(Wiley, 2018)
BACKGROUND: The extraction of phenolic compounds from grapefruit leaves assisted by ultrasound-assisted extraction (UAE) was optimized using response surface methodology (RSM) by means of D-optimal experimental design and ...
Production of Fuel Bioadditive "Triacetin" Using a Phosphomolybdic-Acid-Loaded PVA Membrane in a Pervaporation Catalytic Membrane Reactor
(Amer Chemical Soc, 2019)
The objective of this article is to synthesize fuel bioadditive triacetin by the innovative membrane process with high yield under mild operating conditions. A phosphomolybdic-acid-loaded poly(vinyl alcohol) (PVA) membrane ...
