In this study, eggshell as a biomaterial was used as an adsorbent. This natural waste material is easy to access and cost-free. The surface of the eggshell with its porous structure showed affinity to adsorb damaging chemicals. In particular insecticides cause serious environmental pollution in agriculture, and this is a general problem all over the world. The aim was to remove insecticides from the environment and monitor the pesticides on the surface of eggshells by atomic force microscopy (AFM) images, Fourier transform infrared (FTIR) and UV/Vis spectroscopic techniques. Five types of eggshells,
Denizli Hen, Coturnix Coturnix Japonica, Light Brahma Chicken, Alectoris Chukar
and
ISA Tinted -White
, were used. Since they are commonly used, Cypermethrin, Deltamethrin and Indoxacarb were chosen as insecticide samples. The interaction effect of insecticides on the surface of eggshells was determined by AFM images; it was seen that the semispherical surface structures of the eggshells were flattened after adsorption. FTIR spectroscopy was used both to detect structural analysis and to determine the adsorption influence. In addition, UV-Vis spectroscopy was performed to evaluate the adsorption and desorption process. Porous media of different types of eggshells with an aqueous solution of insecticides had an electronegativity attractive surface which makes it an ideal adsorbent via hydroxyl groups.
The structure and spectroscopic data of the molecules in the ground state were calculated using density functional theory employing B3LYP/6-311++G(d,p) basis set. The dipol moment, linear polarizability and first hyperpolarizability values were also computed using the same basis set. A study on the electronic properties, such as HOMO-LUMO energies, were performed by time-dependent density functional theory approach. A detailed description of spectroscopic behaviour of compounds was given based on the comparison of experimental data and theoretical computations.
In this study, conformational analysis and quantum chemical calculations of ±1-(1H-Benzoimidazol-2-YL) Ethanol were carried out. The geometric structure, infrared intensities, UV-VIS spectrum, HOMO-LUMO energies, 1 H and 13 C nuclear magnetic resonance (NMR) chemical shifts were calculated by using the density functional method (DFT/B3LYP) with 6-311++G(d,p) basis set. The vibrational studies were interpreted in terms of potential energy distribution (PED). Finally, calculated values were compared with the experimental ones.
In this study, nitrophenol isomers were adsorbed on synthetic ammonium Y zeolite and the samples acquired were examined with infrared spectroscopy and scanning electron microscopy. The aim of the work is to investigate whether isomeric effects can be monitored after adsorption process. Theoretical calculations of isomers had been performed and the data acquired show that adsorption occurred via bonding from the sites of zeolite.
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