An Improved Model for Polyether Production from 1,3‐Propanediol

A dynamic mathematical model is developed for production of Cerenol polyether from 1,3‐propanediol in a batch reactor system. The model accounts for polycondensation reactions and side reactions in the liquid phase and for mass transfer of volatile species to the vapor. Parameters are estimated using measured liquid‐phase concentrations of monomer, oligomers, water, and end groups as well as the mass and composition of condensate collected from the overhead condenser system. The proposed model uses novel probability factors to keep the model equations relatively simple while accounting for the complex influence of superacid catalyst on reaction rates. The model is a significant advance over previous Cerenol models because it better accounts for mass‐transfer rates and for the dynamic behavior of the condenser. In addition, the proposed model accounts for the inhibitory influence of water on polycondensation kinetics due to hydration of hydroxyl ends. The model equations and parameter estimates provide a substantial improvement in fit to the data, especially for long reaction times and high catalyst levels, resulting in a 97% reduction in the value of the weighted least squared objective function compared to equations and parameters from a previous model.     

Anticancer activity of lanthanum (III) and europium (III) 5-fluorouracil complexes on Caco-2 cell line

Lanthanide complexes are of increasing importance in cancer diagnosis and therapy. In the present study 1:1 and 1:3 solid complexes of La (III)–5-FU (5-fluorouracil) were prepared and characterized. In solution, the formation of 1:1 La (III) and Eu (III) complexes enabled the enhancement of 5-FU's effectiveness. Binding constants of the 1:1 complexes of both metals were estimated using spectrophotometry and HPLC with fluorescence detection methods. The thermodynamic parameters ΔG ^° , ΔH ^° and ΔS ^° were calculated using differential scanning calorimetry. Evaluation of the cytotoxic activity of the 1:1 La (III)- and Eu (III)–5-FU complexes was performed through two methodologies, trypan blue for cell viability where La (III)- and Eu (III)–5-FU complexes were found to have 52,000 and 80,000 dead cells, respectively, and via flow cytometric analysis to measure the apoptotic values, which were found to be 59.87 and 86.86% respectively.     

1,4‐Dioxo‐1,4‐dihydronaphthalene‐2,3‐dicarbonitrile and 1,1,2,2‐Tetracyanoethene in Heterocyclization

This survey is mainly concerned with selected reactions of 1,4‐dioxo‐1,4‐dihydronaphthalene‐2,3‐dicarbonitrile and 1,1,2,2‐tetracyanoethene, which have use or potential use in heterocyclic synthesis.     

Mesoporous polymer-coated PAN beads for environmental applications: fabrication,characterisation and uranium adsorption studies

Adsorption of U(VI) and other heavy metals on millimetre sized polymer-coated polyacrylinitrile (PAN) beads was investigated. PAN was used as scaffolds for the polymer layer thus producing porous material of high surface area, improved mechanical strength and improved adsorption capabilities. Extensive U(VI) adsorption studies were undertaken and results modelled using different kinetic and equilibrium models. Parameters including thermodynamic parameters were evaluated. Sorbent capacities were assessed as 124, 16, and 33 mg g^?1 for PCP, SPP and Dowex at 60 °C respectively. U(VI) adsorption mechanism for these adsorbents was postulated. Recovered uranium may be used for production of cheap electricity.     

In Vitro Inhibitory Analysis of Rationally Designed siRNAs against MERS-CoV Replication in Huh7 Cells

MERS-CoV was identified for the first time in Jeddah, Saudi Arabia in 2012 in a hospitalized patient. This virus subsequently spread to 27 countries with a total of 939 deaths and 2586 confirmed cases and now has become a serious concern globally. Camels are well known for the transmission of the virus to the human population. In this report, we have discussed the prediction, designing, and evaluation of potential siRNA targeting the ORF1ab gene for the inhibition of MERS-CoV replication. The online software, siDirect 2.0 was used to predict and design the siRNAs, their secondary structure and their target accessibility. ORF1ab gene folding was performed by RNAxs and RNAfold software. A total of twenty-one siRNAs were selected from 462 siRNAs according to their scoring and specificity. siRNAs were evaluated in vitro for their cytotoxicity and antiviral efficacy in Huh7 cell line. No significant cytotoxicity was observed for all siRNAs in Huh7 cells. The in vitro study showed the inhibition of viral replication by three siRNAs. The data generated in this study provide preliminary and encouraging information to evaluate the siRNAs separately as well as in combination against MERS-CoV replication in other cell lines. The prediction of siRNAs using online software resulted in the filtration and selection of potential siRNAs with high accuracy and strength. This computational approach resulted in three effective siRNAs that can be taken further to in vivo animal studies and can be used to develop safe and effective antiviral therapies for other prevalent disease-causing viruses.     

Mixed convection boundary-layer flow over a vertical surface embedded in a porous medium

In this paper we have numerically investigated the existence and uniqueness of a vertically flowing fluid passed a model of a thin vertical fin in a saturated porous media. We have assumed the two-dimensional mixed convection from a fin, which is modelled as a fixed, semi-infinite vertical surface, embedded in a fluid-saturated porous media under the boundary-layer approximation. We have taken the temperature, in excess of the constant temperature in the ambient fluid on the fin, to vary as  , where is measured from the leading edge of the plate and λ is a fixed constant. The Rayleigh number is assumed to be large so that the boundary-layer approximation may be made and the fluid velocity at the edge of the boundary-layer is assumed to vary as . The problem then depends on two parameters, namely λ and , the ratio of the Rayleigh to Péclet numbers. It is found that when λ>0 (<0) there are (is) dual (unique) solution(s) when is grater than some negative values of (which depends on λ). When λ<0 there is a range of negative value of (which depends on λ) for which dual solutions exist and for both λ>0 and λ<0 there is a negative value of (which depends on λ) for which there is no solution. Finally, solutions for 0<1 and 1 have been obtained.     

Calculation of viscosity–temperature curves for glass obtained from four wastewater treatment plants in Egypt

This article establishes the relationship between the chemical composition, temperature and viscosity of glasses obtained from the four sludge treatment plants of urban and industrial wastewater from the Nile Delta in Egypt. In order to determine the working conditions of these glasses and their growth temperature, different techniques have been used: differential thermal analysis, hot stage microscopy and dilatometry. We used a prototype of hot stage microscopy, with the help of an image analysis programme developed in the present study. The chemical composition of major oxides sludge ranging from: SiO₂ (36–48 wt%), Al₂O₃ (9–16 wt%), CaO (5–25 wt%), P₂O₅ (1.5–11 wt%), and Fe₂O₃ (~9 wt%), this composition is close to a basalt rock, being necessary to incorporate some raw materials to adjust it to the basalt rock that has a good viscosity-temperature curve. The glass transition temperatures of the four glasses obtained vary between 650 and 725 °C and the growth occurs between 938 and 1,033 °C. We also obtained the viscosity–temperature curves with the aid of the hot stage microscopy that has allowed us to determine the working temperatures of the four glasses, ranging from 926 to 1,419 °C, depending on the type of forming process used.     

Synthesis of 3,3′-methylenebis(4-hydroxyquinolin-2(1H)-ones) of prospective anti-COVID-19 drugs

Molecular Diversity - During formylation of 2-quinolones by DMF/Et3N mixture, the unexpected 3,3′-methylenebis(4-hydroxyquinolin-2(1H)-ones) were formed. The discussed mechanism was proved as...     

Crystallization kinetics of binary arsenic selenium chalcogenides

Binary As–Se glasses with different amounts of As content have been prepared and scanned with different heating rates (3 ≤ ψ ≤ 48 K min⁻¹) over temperatures ranging from 300 to 450 K. Both the glass transition temperature (T_gl) and the temperature peak of crystallization (T_pc) increase as a function of As and/or the ψ values. A good correlation between T_gl and T_pc has been investigated. The observed increase in T_gl and T_pc by increasing the ψ values or as a function of As is well discussed in accordance with Lasocka’s relationship and using the average coordination number A_cn, the viscosity at glass transition μ(T_gl) and the overall mean bond energy E. The glass transition E_gl and crystallization activation energies (E_gl and E_pc) were determined based on the changes in T_gl and T_pc values due to the heating rate (ψ). The increase in the values of E_gl and E_pc with increasing the As content is expected due to the increase in T_gl and T_pc values. The kinetic exponent n and the crystal dimensionality m have been determined.

     

Manufacturing,thermal stability,and flammability properties of polypropylene containing new single molecule intumescent flame retardant

Melamine salt of pentaerythritol phosphate kaolin (MPPK) was synthesized by the reaction of pentaerythritol phosphate with kaolin (K) and melamine. The structure of MPPK was confirmed by EDXS, ¹H NMR, FTIR, and XRD. MPPK was blended with polypropylene (PP) at different loading levels. Thermogravimetric analysis (TGA) results showed that MPPK improved the thermal stability of PP at high temperatures in all PP composites. Vertical burning rate test manifested that PP composites can achieve V0 at 20% and 25% MPPK loading levels. Cone calorimeter data exhibited that addition of 25% MPPK to PP reduced peak of heat release rate (pHRR) and total heat release (THR) by 86% and 76% and increased the char residue after test to 67%. The results of PP/25% MPPK composite were compared with the data obtained from PP containing 25% K and 25% of traditional intumescent flame retardant composed of melamine phosphate (MP), pentaerythritol (PE), and K. The outcomes indicated that MPPK was more efficient in flame retardancy than the other systems. The digital photographs and SEM images for char residue demonstrated that MPPK succeeded in forming cellular and coherent char layer on the PP surface. The main advantage of adding 25% MPPK to PP was its ability to preserve nearly the inner half of the sample without burning after cone calorimeter test.