Acetylcholinesterase Inhibition, Molecular Docking and ADME Prediction Studies of New Dihydrofuran-Piperazine Hybrid Compounds

Novel acrylamide and methacryloyl carrying piperazine-dihydrofuran derivatives ( 3a-p ) were designed and obtained from radical cyclizations of unsaturated piperazine derivatives ( 1a-f ) with 1,3-dicarbonyl compounds ( 2a-c ) mediated by Mn(OAc) 3 . Structures of obtained compounds were confirmed with 1 H NMR (proton nuclear magnetic resonance), 13 C NMR (Carbon-13 nuclear magnetic resonance), HRMS (High resolution mass spectrometry), FTIR (Fourier-transform infrared spectroscopy and melting point analysis. Inhibitory activites of all piperazine-dihydrofuran compounds were evaluated against AChE (Acetylcholinesterase) by Ellman method and test results showed that 3a , 3c , 3j and 3l are most active AChEI’s (AChE inhibitors) of our work with IC 50 (half-maximal inhibitory concentration) values of 2.62, 5.29, 1.17 and 3.90 µM, respectively. Furthermore, ligand-protein interactions and inhibitory activity mechanisms of 3a and 3j were investigated by molecular docking. Finally, in silico molecular property and ADME (absorption, distribution, metabolism and excretion) of potential AChEI’s (AChE inhibitor) were predicted by PreADMET and Molinspiration webservers. It can be concluded that the lead compound 3j show excellent inhibiton and satisfactory druglike characteristics.

Synthesis of metal–organic frameworks (MOFs) MIL-100(Fe) functionalized with thioglycolic acid and ethylenediamine for removal of eosin B dye from aqueous solution

The interaction of eosin B dye from aqueous solution with MIL-100(Fe) and functionalized MIL-100(Fe) metal–organic frameworks (MOFs) is reported in this study. MIL-100(Fe) was prepared and functionalized with thioglycolic acid (TH) and ethylenediammine (ED) separately by incorporating the thiol (–SH) and the amine (–NH2) group of the functionalizing agents into the open metal sites of the MIL-100(Fe) to obtain the acidic (TH-MIL-100) and basic (ED-MIL-100) forms of the MOF respectively. Characterization of the MOFs was done by melting point analysis, elemental analysis, spectroscopic techniques, scanning electron microscopy (SEM), and powdered X-ray diffraction (PXRD) analysis. The adsorption experiments were carried out at different conditions such as pH, adsorbent dosage, contact time, temperature, and initial concentration of the dye to estimate the optimum conditions and the maximum adsorption capacities. Adsorption capacities were observed to increase in the order of ED-MIL-100 < MIL-100 < TH-MIL-100, while the TH-MIL-100 was the most effective in the removal process due to acid–base interaction between the acidic thiol group (–SH) and the alkaline medium of eosin B dye solution. The Langmuir Isotherm was seen to fit well to adsorption data obtained for all three adsorbent materials studied, and adsorption processes followed the pseudo-second order kinetics. This study, therefore, indicates the suitability of functionalization of MIL-100(Fe) towards improving its adsorption capacity.

A REPORT ABOUT BENZOXAZINONE MATERIAL

In this study, the objective was to investigate the Benzoxazinone material using the uncorrected and open capillary method for conducting and reporting the melting points. Laboratory grade and analytical grade reagents were used for conducting the synthesis and analytical studies based on with or without modification appropriately as and were required. Results showed that First of all the Synthesis of 2H-1, 4- benzoxazin-3(4H)-one was carried out by reacting 2- amino phenol with chloro acetyl chloride in dichloromethane in presence of triethylamine and then the bromo substitution was done by reacting with dibromoethane. Piperazine substituents were prepared in laboratory and then the title compounds were synthesized. One additional benzoyl substitution was also done. The entire synthesized compounds were primarily characterized by running T.L.C. and melting point analysis.

Synthesis, thermogravimetric analysis and enthalpy determination of lanthanide β-diketonates

This work reports thermodynamic characterizations of lanthanide β-diketonates for use in nuclear fission product separation. Adsorption and sublimation enthalpies have been shown to be linearly correlated, therefore there is motivation to determine sublimation thermodynamics. An isothermal thermogravimetric analysis method is employed on fourteen lanthanide chelates for the ligands 2,2,6,6-tetramethyl-3,5-heptanedione and 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedione to determine sublimation enthalpies. No linear trend is seen across the series; values show a cyclical nature, possibly indicating a greater influence of chemisorption for some complexes and less of a role of physisorption in dictating adsorption differences between lanthanides in the same series. This is in line with previous reports in terms of the chromatographic separation order of the lanthanides. The results reported here can be used to manipulate separations parameters and column characteristics to better separate these lanthanide chelates. Fourteen chelates of the ligand 1,1,1-trifluoro-2,4-pentanedione are also thermally characterized but found to not sublime and be undesirable for this method. Additionally, all chelates are characterized by constant heating thermogravimetric analysis coupled with mass spectrometry, melting point analysis, elemental analysis and FTIR.

PEMBUATAN ASAM OKSALAT DARI PELEPAH KELAPA SAWIT MENGGUNAKAN METODE PELEBURAN ALKALI

Palm frond is one of the solid waste from oil palm plantations which contains lignocellulose namely cellulose, hemicellulose, and lignin. Cellulose from waste palm fronds can be further processed into useful products and economic value, one of which is used as raw material for making oxalic acid. The purpose of this research is assess the effect of temperature and reaction time in the hydrolysis of palm fronds with alkali fusion method of producing oxalic acid. The research consisted of two stages that is the stage of preparation of palm fronds and the stage of oxalic acid synthesis, which include alkali fusion and crystallization processes. Analysis of the raw materials include the analysis of water content and cellulose content of palm fronds. From the results of this study showed water content is 53.7% and cellulose content is 30.9%. At this research for quantitative analysis includes the conversion of cellulose and yield oxalic acid. From these results obtained optimum conditions at a reaction temperature of 90 °C and a reaction time of 60 minutes the cellulosic conversion is 79.2% and a yield is 59.6% oxalic acid. For qualitative analysis includes purity analysis using FTIR and melting point analysis. FTIR analysis results indicate that the group has approached the standard of oxalic acid and melting point of 101.8 °C which indicates that the oxalic acid is obtained in the form of oxalic acid dihydrate.

Synthesis of Nitro-Functionalized A3B-Type Tetraphenylporphyrins Compounds and Potential Applications in Dye-Sensitized Solar Cells

An improved Adler pre-mixed method based on a TFA-catalyzed condensation reaction between aldehydes and pyrroles was developed to synthesize a series of nitro-functionalized A3B-type tetraphenylporphyrins, and all the structures of A3B-type tetraphenylporphyrins were characterized by melting point analysis, electronic absorption spectroscopy, infrared spectroscopy, high-resolution mass spectroscopy, 1H NMR spectroscopy, and elemental analysis. Several factors in the synthesis process were systematically investigated to establish the optimum reaction conditions, hereby obtaining the high yield of products.