In this study, natural zeolite (mordenite) was modified by using dimetliyldioctadecylammonium bro... more In this study, natural zeolite (mordenite) was modified by using dimetliyldioctadecylammonium bromide (DDAB) with polyvinyl alcohol (PVA) to afford surfactant modified granular zeolite (SMGZ) as adsorbent for humic acid (HA) removal. Column adsorption studies were carried out to examine the optimum conditions for the removal of HA by SMGZ. The optimum loading of surfactant was later utilized in characterization studies. The SMGZ were characterized by XRD. FTIR. BET specific surface area and FESEM. The removal of HA was performed in a fixed bed reactor. The effects of different experimental parameters such as DDAB loading levels, solution pH and HA solution flow rate were evaluated. Samples were collected and analyzed using UV. The results indicated that SMGZ showed great enhanced adsorption capacity of HA compared to natural granular zeolite due to the hydrophobic interaction and hydrogen bonding. The equilibrium uptake (geq(exp)) of HA decreased with increasing, flow rate and granu...
In attempt to improve the biological activity of the well-known drug hydroxychloroquine (HQC), ei... more In attempt to improve the biological activity of the well-known drug hydroxychloroquine (HQC), eight derivatives (HQ1-4Py – HQ8-4Py) based on the core of HQC were design and their electronic properties including frontier molecular orbitals, total energy and structural parameters were estimated at semi-empirical PM3 levels. Pharmacological parameters such as physicochemical, pharmacokinetics, drug-likeness and medicinal chemistry friendliness have been evaluated to estimate the drugs similarity. Introducing these moieties affect both electronic and drug likeness properties, HQ5-Py shows promised properties such large Eg and good clogP, The obtained results show that the suggested derivates may represent a potential drug candidate for COVID-19. Keywords: Molecular similarity, COVID-19, Hydroxychloroquine (HCQ).
In this study, natural zeolite (mordenite) was modified by using dimetliyldioctadecylammonium bro... more In this study, natural zeolite (mordenite) was modified by using dimetliyldioctadecylammonium bromide (DDAB) with polyvinyl alcohol (PVA) to afford surfactant modified granular zeolite (SMGZ) as adsorbent for humic acid (HA) removal. Column adsorption studies were carried out to examine the optimum conditions for the removal of HA by SMGZ. The optimum loading of surfactant was later utilized in characterization studies. The SMGZ were characterized by XRD. FTIR. BET specific surface area and FESEM. The removal of HA was performed in a fixed bed reactor. The effects of different experimental parameters such as DDAB loading levels, solution pH and HA solution flow rate were evaluated. Samples were collected and analyzed using UV. The results indicated that SMGZ showed great enhanced adsorption capacity of HA compared to natural granular zeolite due to the hydrophobic interaction and hydrogen bonding. The equilibrium uptake (geq(exp)) of HA decreased with increasing, flow rate and granu...
In attempt to improve the biological activity of the well-known drug hydroxychloroquine (HQC), ei... more In attempt to improve the biological activity of the well-known drug hydroxychloroquine (HQC), eight derivatives (HQ1-4Py – HQ8-4Py) based on the core of HQC were design and their electronic properties including frontier molecular orbitals, total energy and structural parameters were estimated at semi-empirical PM3 levels. Pharmacological parameters such as physicochemical, pharmacokinetics, drug-likeness and medicinal chemistry friendliness have been evaluated to estimate the drugs similarity. Introducing these moieties affect both electronic and drug likeness properties, HQ5-Py shows promised properties such large Eg and good clogP, The obtained results show that the suggested derivates may represent a potential drug candidate for COVID-19. Keywords: Molecular similarity, COVID-19, Hydroxychloroquine (HCQ).
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