Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

Zeolites are essential materials in modern industries due to their uses as cation exchangers, selective adsorbents, and catalysts. In this study,we report novel procedures for producing zeolite T, which is distinguished by its round crystals that closely resemble Saharan flowers. An investigation was conducted on the hydrothermal synthesis of T zeolite in alkaline aqueous solutions without templates. Zeolite T crystals were synthesized via hydrothermal methods with clay-based aluminosilicate gel containing 1Al2O3, 25SiO2, 6.5Na2O, 2.25K2O, and 350 H2O. Zeolite crystals were formed at a temperature of 130 degrees C, with crystallization durations of 3 and 5 days, respectively, using processed natural bentonite clay as the starting material. A range of analytical methods, such as XRD, FTIR, Raman, SEM, ATD-EDX, BET, ATG, and NH3-TPD, were used to observe the crystallization stages of zeolite T grains.During the synthesis of Zeolite T, samples were collected at various intervals, with the samples taken after three and five days of reaction being particularly noteworthy. The T1 zeolite is identified as a mixture of T2 zeolite and other impurities present in the reaction medium, indicating that T1 zeolite serves as a precursor phase to T2 zeolite (T1 is a germination phase). The analysis revealed that a treatment temperature of 130 degrees C for 5 days is optimal. The nucleation of zeolite T from treated bentonite commenced after 3 days. The results indicate that zeolite T2, composed of uniform crystalline grains formed over 5 days, yields a mesoporous structure with a size of 1.35 mu m and a molar ratio of 1.78 between molar quantities of silica and aluminum of this zeolite (T Zeolite). An analysis of the BET (surface area) revealed a value of 95.75 m2g-1, accompanied by a pore volume of 0.010 cm3g-1. Moreover, the examination of TPD-NH3 desorption revealed a restricted occurrence of the acidic site of Br & oslash;nsted, while a significant number of acidic sites of Lewis were detected. The obtained crystalline zeolite T was examined for its ability to catalyze the Hantzsch reaction. In addition, T2 zeolite prepared was used as a catalyst in the synthesis of the 1,1'-(4-(5-bromo-2-thiophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl)bis(ethan-1-one) (BTDDB) due to the acidity sites (Lewis and Br & oslash;nsted acid) in the structure of the zeolite. The result of the reaction has shown a good percentage in the synthetic of BTDDB The results of FTIR, UV, 13C NMR, and 1H NMR spectrum analyses revealed that the structure of the 1,4-dihydropyridine compound was well-defined, and the use of molecular docking and density functional theory (DFT) analysis revealed better performance in the inhibition of the macromolecular targets aminodeoxyfutalosine nucleosidase and DNA gyrase subunit B.

The ground and excited state behaviors of a biologically important mitochondria selective dye, 5,5',6,6'-tetrachloro-1,1',3,3'-tetraethyl-benzimidazolo carbocyanine (TTBC), were investigated in order to give useful information related to the enhancement of its electronic and optical properties. DFT and TDDFT levels of theory with different functionals and basis sets were used. The results obtained by using PBEPBE/6-31+G(d,p)/C-PCM are in good agreement with the experiments. The potential energy surface sections of TTBC were explored and the geometry optimized in the first excited state, S 1, to analyze the fluorescence spectrum of the dye. There are two distinct minima on the S 1 surface, one located near the ground state geometry and an energetically favorable twisted geometry, having a charge transfer character. The observation of similar ground and excited state dipoles as well as solvent-independent fluorescence and absorption wavelengths reveals that there is no competition between the two minima; the emission is dominantly coming from the more planar configuration.

Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

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