In Vitro Antiamoebic Activity Evaluation and Docking Studies of Metronidazole–Triazole Hybrids

An in‐house database of 520 compounds was docked against Entamoeba histolytica thioredoxin reductase (EhTrR), a promising target for the treatment of amoebiasis. Amongst these, some metronidazole (MTZ)–triazole hybrids were ranked high, with docking scores from ?10.23 to ?7.56. Studies of the binding orientations and conformations show that the head groups of MTZ–triazole hybrids interact with the arginine residues within the binding pocket of EhTrR, making it clear that such is the optimal and most reliable orientation for this class of compounds. The top‐ten MTZ–triazole hybrids were then selected for evaluation of their activity against the HM1:IMSS strain of amoeba. The most active compound, 2‐pyridyl‐(1,2,3‐triazolyl)metronidazole 10 , with an IC₅₀ value of 8.4 nM , was significantly more active than the standard drug MTZ alone. Docking studies revealed that compound 10 may act as an EhTrR inhibitor with activity in the nanomolar range and satisfactory ADME properties; it is a suitable candidate to be carried forward as a potential lead in the discovery of drugs to combat amoebiasis.     

Enantioselective dehydration of butan-2-ol using zeolite Y modified with dithiane oxides: comments on the nature of the active site

Modification of zeolite H-Y by dithiane oxides (2-R-1,3-dithiane 1-oxide, R = H, CH₃, C₆H₅) is shown to enhance significantly its activity for the acid-catalysed gas phase dehydration of butan-2-ol. The rate enhancement is observed for catalysts that are prepared using two commercial samples of zeolite H-Y. The origin of this effect is examined using in situ FTIR spectroscopy and ²⁷Al and ²⁹Si MAS NMR spectroscopy studies of the modified zeolite. The rate enhancement is considered to result from a specific interaction between the dithiane oxide modifier with both the extra-framework and framework aluminium in the zeolite. This revised version was published online in July 2006 with corrections to the Cover Date.     

Pseudohalogenation of methyl 9-hydroxy-cis-12-and 12-hydroxy-cis-9-octadecenoate

Pseudohalogenation of methyl 9-hydroxy-cis-12-octadecenoate (I) and methyl 12-hydroxy-cis-9-octadecenoate (II) has been carried out with N,N-dibromobenzenesulfonamide (NNDBS). Compounds I and II, on reaction with NNDBS, formed four and three products, respectively. The interesting feature of these reactions was the formation of 1,4-epoxy compounds. The structures of individual compounds were established with the help of elemental and spectral analysis.     

Utilization of ZSM-5/MCM-41 composite as FCC catalyst additive for enhancing propylene yield from VGO cracking

A micro-mesoporous ZSM-5/MCM-41 composite molecular sieve (ZM13) was synthesized and tested as an FCC catalyst additive to enhance the yield of propylene from catalytic cracking of vacuum gas oil (VGO). The catalytic performance of the additive was assessed using a commercial equilibrium USY FCC catalyst (E-Cat) in a fixed-bed micro-activity test unit (MAT) at 520?°C and various catalyst/oil ratios. MCM-41, ZSM-5 and two ZSM-5/MCM-41 composites were systematically characterized by complementary techniques such as XRD, BET, FTIR and SEM. The characterization results showed that the composites contained secondary building unit with different textural properties compared to pure ZSM-5 and MCM-41. MAT results showed that the VGO cracking activity of E-Cat did not decrease by using these additives. The highest propylene yield of 12.2 wt% was achieved over steamed ZSM-5/MCM-41 composite additive (ZM13) compared with 8.6 wt% over conventional ZSM-5 additive at similar gasoline yield penalty. The enhanced production of propylene over composite additive was attributed to its mesopores that suppressed secondary and hydrogen transfer reactions and offered easier transport and accessibility to active sites. Gasoline quality was improved by the use of all additives except MCM-41, as octane rating increased by 6?C12 numbers.     

Investigation of the thermal behavior effect of the surrounding material environment on the swirling flame structure

This paper is focusing on the numerical simulation of a swirling flame, resulting from the interaction of multiple fires, evolving in a free and unlimited environment. A typical system, formed by a central fire source surrounded by four heat sources, is used. Since the thermal characteristic of the surrounding sources is the main engine for the rotation of flame, a detailed study is performed by varying the heating flux of these sources. This study shows that an increase of the heating flux of surrounding sources has as a result an intensification of the penetrating air puffs through the openings between the surrounding four heat sources. These puffs tangentially drive the central flame, thus producing a marked improvement on the angular momentum. Moreover, this study shows that the flame height is strongly affected by the flame rotation. Moreover, two different aspects of the flame height evolution are observed from the flow visualization and the thermal and dynamic fields for the different cases studied.     

Kinetic study of crude oil-to-chemicals via steam-enhanced catalytic cracking in a fixed-bed reactor

This study presents new experimental results on the direct conversion of crude oil to chemicals via steam-enhanced catalytic cracking. We have organized the experimental results with a kinetics model using crude oil and steam co-feed in a fixed-bed flow reactor at reaction temperatures of 625, 650, and 675°C over the Ce-Fe/ZSM-5 catalyst. The model let us find optimum conditions for crude oil conversion, and the order of the steam cracking reaction was 2.0 for heavy oil fractions and 1.0 for light oil fractions. The estimated activation energies for the steam cracking reactions ranged between 20 and 200 kJ/mol. Interestingly, the results from kinetic modelling helped in identifying a maximum yield of light olefins at an optimized residence time in the reactor at each temperature level. An equal propylene and ethylene yield was observed between 650 and 670°C, indicating a transition from dominating catalytic cracking at a lower temperature to a dominating thermal cracking at a higher temperature. The results illustrate that steam-enhanced catalytic cracking can be utilized to effectively convert crude oil into basic chemicals (52.1% C2-C4 light olefins and naphtha) at a moderate severity (650°C) as compared to the conventional high-temperature steam cracking process.     

Microwave absorption properties of CoGd substituted ZnFe2O4 ferrites synthesized by co-precipitation technique

A series of co-precipitated Zn_1?xCo_xGd_yFe_2?yO₄ spinel ferrites (x = 0.0–0.5, y = 0.00–0.10) sintered at 1000 °C were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), vibrating sample magnetometery (VSM) and microwave cavity perturbation (MCP). XRD patterns and FTIR spectra reveal formation of the spinel phase along with few traces of GdFeO₃ second phase. The lattice constant decreases with an increasing amount of CoGd ions due to the segregation of Gd³⁺on the grain boundaries and due to replacement of lager Zn²⁺ ions with smaller Co²⁺ ions. SEM shows grain size to decrease with the increase of CoGd contents due to grain growth inhibition by the second phase. VSM results show remanence and saturation magnetization to exhibit an increasing trend due to Co substitution on octahedral sites and presence of a second phase. The coercivity increases with the increase of CoGd contents due to anisotropic nature of Co. MCP shows the complex magnetic permeability to increase with CoGd concentration while the complex permittivity decreases.     

Improved oil treatment conditions for soft degumming

“Soft degumming” is a new physicochemical degumming process. It involves the complete elimination of phospholipids by using a chelating agent, EDTA, in the prescence of an emulsifying additive. To study the optimal cost of the process, a laboratory study was undertaken to find a method based on substituting the emulsifying additive by endogenous phospholipids. The phospholipids were first extracted from the oil by an initial hot-water treatment. In a second stage, a solution containing a chelating agent was incorporated. The mixture was then vigorously stirred to form an emulsion. The degummed oil was obtained after centrifugation. A comparative study carried out on several oils provided an indication of the efficiency of this alternative procedure. The phospholipid content of the processed oils was about 5 ppm phosphorus.     

Feasibility of recycled newspaper as cellulose source for regenerated cellulose membrane fabrication

An environmental friendly regenerated cellulose membrane (RCM) was successfully prepared via NaOH/urea aqueous solution system by utilizing recycled newspaper (RNP) as the cellulose source. The morphological and chemical structure of resulting membrane were characterized using scanning electron microscopy (SEM), atomic force microscopy (AFM), transmission electron microscopy (TEM), Fourier transform infrared (FTIR) spectroscopy, X‐ray diffraction (XRD) spectroscopy, and thermogravimetric analysis (TGA). Results from FTIR and XRD verified that the transparent RCM possesses cellulose II structure. SEM observation revealed that the transparent RCM consist of homogeneous dense symmetric membrane structure and composed of a skin layer with mean roughness parameter R_a, obtained from AFM analysis of 29.53 nm. Pure water flux, water content, water contact angle, porosity, and pore size of the resulting membrane were also measured. This study promotes the potential of the cellulose‐based membrane obtained from low cost cellulose source for application in filtration and separation system. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 42684.     

Response of Different Genotypes of Faba Bean Plant to Drought Stress

Drought stress is one of the major abiotic stresses that are a threat to crop production worldwide. Drought stress impairs the plants growth and yield. Therefore, the aim of the present experiment was to select the tolerant genotype/s on the basis of moprpho-physiological and biochemical characteristics of 10 Vicia faba genotypes (Zafar 1, Zafar 2, Shebam, Makamora, Espan, Giza Blanka, Giza 3, C4, C5 and G853) under drought stress. We studied the effect of different levels of drought stress i.e., (i) normal irrigation (ii) mild stress (iii) moderate stress, and (iv) severe stress on plant height (PH) plant⁻¹, fresh weight (FW) and dry weight (DW) plant⁻¹, area leaf⁻¹, leaf relative water content (RWC), proline (Pro) content, total chlorophyll (Total Chl) content, electrolyte leakage (EL), malondialdehyde (MDA), hydrogen peroxide (H₂O₂) content, and activities of catalase (CAT), peroxidase (POD) and superoxide dismutase (SOD) of genotypes of faba bean. Drought stress reduced all growth parameters and Total Chl content of all genotypes. However, the deteriorating effect of drought stress on the growth performance of genotypes “C5” and “Zafar 1” were relatively low due to its better antioxidant enzymes activities (CAT, POD and SOD), and accumulation of Pro and Total Chl, and leaf RWC. In the study, genotype “C5” and “Zafar 1” were found to be relatively tolerant to drought stress and genotypes “G853” and “C4” were sensitive to drought stress.