Methylene blue adsorption on zeolitic imidazolate‐8 metal‐organic framework (ZIF‐8) according to basic phenomena Different Multiphysics modeling methodologies were combined to reveal understand the adsorption processes. Rather than their functional groupings, sorbents′ porosity is important, affects methylene blue adsorption, according to a statistical physics method. Quantum chemistry calculations imply the ZIF‐8 has dispersive interactions and pore properties. The examined reactive sites reveal that the for both electrophilic and nucleophilic assaults, ZIF‐8 has the same favored sites., that explains this adsorbent‘s highest performance. Finally, Monte Carlo simulations reveal Methylene blue adsorption on ZIF‐8 in the most stable energy configuration. Using XRD, IR, SEM, EDX, and nitrogen adsorption‐desorption, the prepared ZIF‐8 was characterized. The effectiveness of ZIF‐8 as an adsorbent which studied by researching MB removal from aqueous solutions as organic pollutants. The isothermal adsorption method suits the Langmuir model, and qmax=522.95 mg/g was the maximum adsorption power. The adsorption kinetics knowledge matched the pseudo‐second‐order model well. Accordingly, it is possible to use ZIF‐8 with high performance and superior stability to remediate wastewater from organic contaminants.
A series of linear dipeptide derivatives (4–10) were prepared and evaluated as antimicrobial agents via the synthesis of N-(2-(2-hydrazinyl-2-oxoethylamino)-2-oxoethyl) nicotinamide (4). Compound 4 was reacted with 4-chlorobenzaldehyde or 4-hydroxybenzaldehyde, to give the hydrazones 5 and 6, respectively. On the other hand, Compound 4 was coupled with phenylisocyanate or methylisothiocyanate to give Compounds 7 and 8, respectively. The latter compounds (7 and 8) were coupled with chloroacetic acid to give oxazolidine (9) and thiazolidine (10), respectively. The newly synthesized dipeptide compounds were confirmed by means of their spectral data. The antimicrobial activity of the newly synthesized compounds 4–10 was evaluated by agar well diffusion, and they showed good activity. Compounds 4, 5, and 9 gave the most promising activity in this study. Most of the tested compounds possessed MIC values ranging from 50 to 500 µg/mL. Furthermore, docking studies were carried out on enoyl reductase from E. coli and cytochrome P450 14 α-sterol demethylase (Cyp51) from Candida albicans active sites. The MolDock scores of the seven tested compounds ranged between −117 and −171 and between −107 and −179, respectively.
Background
This study aimed to design a compound with folic acid (FAH
2
) and vanadyl (IV) for use in the treatment of diabetes.
Materials and methods
A novel vanadyl (IV) FAH
2
complex was synthesized and characterized [(FA
2−
)(VO
2+
)]⋅3H
2
O. The speculated structure of this folate complex was determined using physicochemical techniques including microanalytical analysis, conductivity studies, spectroscopic examination, magnetic measurements, thermogravimetric analyses, and morphological X-ray powder diffraction, and scanning and transmission electron microscopies. The anti-diabetic therapeutic potential of the complexes was tested in a 30-day streptozotocin-induced diabetes rat model.
Results
The conductivity test of the complex implied electrolyte behavior. The spectroscopic assessments of the isolated dark yellow solid complex revealed that FAH
2
acts as a bidentate ligand. The coordination process with two vanadyl (IV) ions occurred through the deprotonation of both carboxyl groups of FAH
2
in a regular square pyramid arrangement at a 2(FA)
2−
: 2(VO)
2+
molar ratio. XRD, SEM, and TEM analyses revealed the complex crystalline nature of the complex. Treating diabetic rats with vanadyl (IV) FAH
2
complex significantly improved many biological parameters relevant to diabetes pathology with minimal toxicity.
Conclusion
The data generated in this study indicate that the synthesized vanadyl (IV) folate complex acts as a model of anti-diabetic agent.
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