Influence of mixing cycle on the degree of mixing of calcite‐filled polyethylene upon stretching

The mixing cycle‐dependent degree of dispersion and degree of mixing of a calcite (calcium carbonate) agglomerate in high‐density polyethylene (HDPE), low‐density polyethylene (LDPE), and linear low‐density polyethylene (LLDPE) matrices upon stretching was investigated using three different techniques: mechanical property, morphological behavior, and image analyzer analyses. The mechanical properties analyzed in terms of the tensile strength and maximum elongation resulted in that the second mixing was the best for giving a better property for all systems except the LDPE system, which exhibited no significant difference between the second and third mixings. The morphological behavior of the three compounds were different, but no distinctive difference was observed to differentiate the degree of mixing from system to system. The number‐, weight‐, and z + 1‐average diameters of the air hole and the aspect ratio upon the stretching and mixing cycle were calculated to analyze the degree of mixing of the calcite‐filled composites. As a consequence, no difference in the average diameter of the air hole was obtained among the three systems, but the aspect ratios of the air hole varied significantly. Thus, the degree of dispersion and the degree of mixing may be influenced by the average calcite agglomerate size, the average diameter of the air hole, and the aspect ratio upon stretching and mixing cycles. Those factors would be formed by the difference in chemical characteristics upon various microstructures of polyethylene and its molecular weight and molecular weight distribution. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 87: 311–321, 2003     

Optimization of physical and mechanical properties of rubber compounds by a response surface methodological approach

Response surface methodology was used for optimizing the ratio of vegetable oil and carbon black and occluded volume fraction of rubber in the compound. Central composite design for two variables was chosen as the experimental design. The data obtained from measurement of properties was fitted as a two variable second-order equation, and were plotted as contours using software developed from MATLAB v.5.1. From contours it is observed that at the ratio of 0.06 of vegetable oil and carbon black, there is maximum coupling, and a further increment in vegetable oil and carbon black ratio shows less coupling and more plasticizing effect. The ultimate failure properties like tensile and tear strength and elongation decreases with an increase in occluded volume fraction, reaches a minima at the central region, followed by an increase, whereas 300% modulus and hardness decreases throughout.© 2001 John Wiley & Sons, Inc, J Appl Polym Sci 82: 997-1005, 2001     

Modelling of multicomponent gas separation with asymmetric hollow fibre membranes—methane enrichment from biogas

A mathematical model for the dynamic performance of gas separation with high flux, asymmetric hollow fibre membranes was developed considering the permeate pressure build‐up inside the fibre bore and cross flow pattern with respect to the membrane skin. The solution technique provides reliable examination of pressure and concentration profiles along the permeator length (both residue/permeate streams) with minimal effort. The proposed simulation model and scheme were validated with experimental data of gas separation from literature. The model and solution technique were applied to investigate dynamic performance of several membrane module configurations for methane recovery from biogas (landfill gas or digester gas), considering biogas as a mixture of CO₂, N₂ and CH₄. Recycle ratio plays a crucial role, and optimum recycle ratio vital for the retentate recycle to permeate and permeate recycle to feed operation was found. From the concept of two recycle operations, complexities involved in the design and operation of continuous membrane column were simplified. Membrane permselectivity required for a targeted separation to produce pipeline quality natural gas by methane‐selective or nitrogen‐selective membranes was calculated. © 2012 Canadian Society for Chemical Engineering     

High‐Performance Nanocomposites of Sodium Carboxymethylcellulose and Graphene Oxide

High‐performance nanocomposites of NaCMC with GO are produced by solution casting. FESEM images reveal a good homogeneous dispersion of GO in the NaCMC matrix. The composite formation is facilitated by H‐bonding interaction between GO and NaCMC. T_g of the composites increases with increasing GO concentration. The storage modulus (G′) exhibits a maximum 174% increase over NaCMC at 1 wt% GO. The mechanical properties of the composites exhibit highest increase of tensile stress and Young's modulus of 188 ± 4% and 154 ± 11%, respectively, for 1 wt% GO. Analysis of Young's modulus (E_y) data using the Halpin‐Tsai equation suggests that the E_y data are close to the unidirectional orientation at >0.5 wt% GO, indicating more efficient load transfer at these compositions.

     

Physicochemical Investigation of Biocompatible Mixed Surfactant Reverse Micelles: III. Aqueous NaCl Solubilization, Thermodynamic Parameters of Desolubilization Process and Conductometric Studies

Solubilization of water and aqueous NaCl in mixed reverse micelles (RMs) comprising sodium bis(2‐ethylhexyl) sulfosuccinate (AOT), and polyoxyethylene (20) sorbitan trioleate or polyoxyethylene (20) sorbitan monooleate has been studied at different compositions (X_nonionic = 0–1.0) at a total surfactant concentration, S_T = 0.10 × 10³ mol m^?3 in biocompatible oils of different chemical structures; viz., ethyl oleate (EO), isopropyl myristate (IPM) and isopropyl palmitate (IPP) at 303 K. The enhancement in water solubilization (i.e., synergism) has been evidenced by the addition of nonionic surfactant to dioctyl sulfosuccinate/oil(s)/water systems. Addition of NaCl in these systems at different X_nonionic enhances their solubilization capacities further until a maximum, ω_NaCl,max is reached. ω_NaCl,max and [NaCl]_max (concentration at which maximization of NaCl solubilization occurs) depend on type of nonionic surfactant, its content (X_nonionic) and oil. A new solubilization efficiency parameter (SP*_water or SP*_NaCl) has been proposed to compare solubilization phenomena in these oils. The energetic parameters of the desolubilization process of water or aqueous NaCl in single and mixed RMs have been estimated. Energetically, the water dissolution process in oil has been found to be more exothermic as well as more organized in IPP. Overall, the dissolution of water and aqueous NaCl in mixed RMs is entropically driven process. Conductance behavior of these systems in the presence of NaCl has been investigated under different [NaCl] at 303 K. An attempt has been made to give an insight to the mechanism of solubilization phenomena, percolation in conductance and microstructures vis‐à‐vis role of biocompatible oils in these systems.     

Synthesis of Dihydrobenzofuro[3,2-b]chromenes as Potential 3CLpro Inhibitors of SARS-CoV-2: A Molecular Docking and Molecular Dynamics Study

The recent emergence of pandemic of coronavirus (COVID-19) caused by SARS-CoV-2 has raised significant global health concerns. More importantly, there is no specific therapeutics currently available to combat against this deadly infection. The enzyme 3-chymotrypsin-like cysteine protease (3CLpro) is known to be essential for viral life cycle as it controls the coronavirus replication. 3CLpro could be a potential drug target as established before in the case of severe acute respiratory syndrome coronavirus (SARS-CoV) and Middle East respiratory syndrome coronavirus (MERS-CoV). In the current study, we wanted to explore the potential of fused flavonoids as 3CLpro inhibitors. Fused flavonoids (5a,10a-dihydro-11H-benzofuro[3,2-b]chromene) are unexplored for their potential bioactivities due to their low natural occurrences. Their synthetic congeners are also rare due to unavailability of general synthetic methodology. Here we designed a simple strategy to synthesize 5a,10a-dihydro-11H-benzofuro[3,2-b]chromene skeleton and it's four novel derivatives. Our structural bioinformatics study clearly shows excellent potential of the synthesized compounds in comparison to experimentally validated inhibitor N3. Moreover, in-silico ADMET study displays excellent druggability and extremely low level of toxicity of the synthesized molecules. Further, for better understanding, the molecular dynamic approach was implemented to study the change in dynamicity after the compounds bind to the protein. A detailed investigation through clustering analysis and distance calculation gave us sound comprehensive data about their molecular interaction. In summary, we anticipate that the currently synthesized molecules could not only be a potential set of inhibitors against 3CLpro but also the insights acquired from the current study would be instrumental in further developing novel natural flavonoid based anti-COVID therapeutic spectrums.     

Performance of symmetric polygonal fins with and without tip loss — A comparison of different methods of prediction

No analytical solution exists for estimating the efficiency of symmetric polygonal fins (SPFs) circumscribing circular tubes. Performance of such fins is conventionally determined from either of the two approximate techniques, namely, the equivalent annulus method and the sector method. The present work aims to judge the relative merits and applicability of these two methods critically. To this end, the results obtained from the approximate techniques have compared with those obtained from a semi‐analytical technique. It has been noted that, with the increase of the tip heat loss, the accuracy of prediction from any of the approximate methods decreases. For the sector method, a modification has been suggested. The prediction from the modified version of the sector method is always more accurate than that from the equivalent annulus method. It has been further illustrated that though the approximate techniques can be employed for the prediction of efficiency, they cannot be used to predict the tip temperatures accurately.     

Cefuroxime-impregnated calcium phosphates as an implantable delivery system in experimental osteomyelitis

The study aimed to investigate the effectiveness of porous calcium phosphates viz., hydroxyapatite (HAp) and a bi-phasic calcium phosphate (BCP) with predominately β-tricalcium phosphate (β-TCP) prepared by aqueous solution combustion method impregnated with cefuroxime axetil for the treatment of experimental osteomyelitis and compared with parenteral treatment. In vitro release of the drug was tested for its sustained elution characteristics for 21 days in PBS (pH 7.2) and measured by HPLC. In the in vivo study, bone infection was induced in tibia of rabbits by inoculation of 1 ml (3 × 10⁶) CFU Staphylococcus aureus. On the 21st day, after the development of osteomyelitis, six animals were treated by filling the cavity with cefuroxime-impregnated HAp blocks (Group II), six animals with the same drug-impregnated β-TCP (Group III) and in six others, only cefuroxime (15 mg/kg twice daily) was injected parenterally 6 weeks (Group IV). Group I with six animals was kept untreated. Histologically, the signs of infection were found to subside by 3 and 6 weeks. Radiological evaluation with cefuroxime-impregnated HAp and β-TCP pointed out the disappearance of sequestrum and existence of newly formed bony specules. Concentration of cefuroxime in bone and serum as estimated by HPLC showed highest value on day 21 itself which reduced marginally by day 42 in both the groups and these values were higher than minimum inhibitory concentration (MIC) against S. aureus. Our findings suggest that bi-phasic calcium phosphates with predominately β-TCP content is a very efficient carrier material for antibiotic compounds even for refractory infections by S. aureus.