Dissolution and Solubility Behavior of Fenofibrate in Sodium Lauryl Sulfate Solutions

The solubility of fenofibrate in pH 6.8 McIlvaine buffers containing varying concentrations of sodium lauryl sulfate was determined. The dissolution behavior of fenofibrate was also examined in the same solutions with rotating disk experiments. It was observed that the enhancement in intrinsic dissolution rate was approximately 500-fold and the enhancement in solubility was approximately 2000-fold in a pH 6.8 buffer containing 2% (w/v) sodium lauryl sulfate compared to that in buffer alone. The micellar solubilization equilibrium coefficient (k*) was estimated from the solubility data and found to be 30884 ± 213 L/mol. The diffusivity for the free solute, 7.15 × 10^{? 6} cm²/s, was calculated using Schroeder's additive molal volume estimates and Hayduk-Laurie correlation. The diffusivity of the drug-loaded micelle, estimated from the experimental solubility and dissolution data and the calculated value for free solute diffusivity, was 0.86 × 10^{? 6} cm²/s. Thus, the much lower enhancement in dissolution of fenofibrate compared to its enhancement in solubility in surfactant solutions appears to be consistent with the contribution to the total transport due to enhanced micellar solubilization as well as a large decrease ( ～ 8-fold) in the diffusivity of the drug-loaded micelle.     

Communication Maps: Exploring Energy Transport through Proteins and Water

Frequency-resolved communication maps provide a coarse-grained, global mapping of energy transport channels in a protein as a function of frequency of modes that carry energy. We illustrate the approach with a study of the homodimeric hemoglobin of Scapharca inaequivalvis, which exhibits cooperativity during ligand binding. We compare energy transport between the two hemes of the unliganded and oxygenated protein, which is mediated by water as well as residues forming a hydrogen-bonding network at the interface between the globules, and lies along the pathway for allosteric transitions observed in time-resolved X-ray studies. Non-equilibrium molecular simulations on energy transport from the heme corroborate the energy transport pathways identified by the communication maps.     

Dispatching rules for scheduling in assembly jobshops - Part 1

Research on jobshop scheduling has tended to concentrate on the development of dispatching rules for jobs that are independent, i.e. single-component jobs. However, in real-life situations, many jobs involve assembly operations that require scheduling of multiple components through the jobshop where both serial and parallel operations take place. In this two-part paper, we consider the problem of scheduling in assembly jobshops, i.e. jobshops that manufacture multi-level assembly jobs. The development of new and efficient dispatching rules with a view to address various measures of performance related to flowtime and staging delay of jobs is first undertaken. A new concept, called 'operation synchronization date' is introduced and made use of in the new dispatching rules. The best existing dispatching rules and the proposed dispatching rules are relatively evaluated by an exhaustive simulation study. The results indicate that the proposed rules emerge to be superior to the existing ones for most measures of performance.     

Lipid extraction from natural plant source of Adenanthera pavonina using mixed solvent by superheated extractor

The lipid content was extracted from the saga seed by superheated condition and soxhlet apparatus. The mixture of hexane, chloroform and methanol was utilized as a mixed solvent for these extraction operations. Different parameters such as different solvent, temperature, mean particle size and solvent flow have been examined. The optimized lipid extraction was achieved as 26.2 wt% by using superheated condition from the saga seed powder at 90 °C for 120min. Then the fatty acids profile of the optimized Adenanthera pavonina oil were analyzed by gas chromatography. Unsaturated fatty acid was high as 83.7% compared with saturated fatty acid barely 15.4% by relative.     

Nitroarenes as Antitubercular Agents: Stereoelectronic Modulation to Mitigate Mutagenicity

Nitroarenes are less preferred in drug discovery due to their potential to be mutagenic. However, several nitroarenes were shown to be promising antitubercular agents with specific modes of action, namely, nitroimidazoles and benzothiazinones. The nitro group in these compounds is activated through different mechanisms, both enzymatic and non‐enzymatic, in mycobacteria prior to binding to the target of interest. From a whole‐cell screening program, we identified a novel lead nitrobenzothiazole (BT) series that acts by inhibition of decaprenylphosphoryl‐β‐d ‐ribose 2′‐epimerase (DprE1) of Mycobacterium tuberculosis (Mtb). The lead was found to be mutagenic to start with. Our efforts to mitigate mutagenicity resulted in the identification of 6‐methyl‐7‐nitro‐5‐(trifluoromethyl)‐1,3‐benzothiazoles (cBTs), a novel class of antitubercular agents that are non‐mutagenic and exhibit an improved safety profile. The methyl group ortho to the nitro group decreases the electron affinity of the series, and is hence responsible for the non‐mutagenic nature of these compounds. Additionally, the co‐crystal structure of cBT in complex with Mtb DprE1 established the mode of binding. This investigation led to a new non‐mutagenic antitubercular agent and demonstrates that the mutagenic nature of nitroarenes can be solved by modulation of stereoelectronic properties.     

Structure,properties, and applications of polyacrylonitrile/carbon nanotube (CNT) fibers at low CNT loading

Bi-component, polyacrylonitrile (PAN)/carbon nanotube (CNT) fibers were processed, at different core-sheath area ratios, by gel spinning. A percolated CNT network at 10 wt% CNT in the sheath enhanced electrical conductivity as compared to the neat PAN fiber, while PAN polymer in the core contributed to the good mechanical properties. Fibers with relatively thin sheath allowed overall CNT loading as low as 3.7 wt% to be made with good electrical conductivity, and PAN stabilization by Joule heating was demonstrated. Such fibers with combined good mechanical properties and electrical conductivity can also potentially be used for electrical heating of fabrics, for making smart textiles, and for electromagnetic interference shielding.     

Studies on nonlinear optical parameters of bis-chalcone derivatives doped polymer

Two bis-chalcone derivatives, 1,5-[di(4-methoxyphenyl)]penta-1,4-dien-3-one and 1,5-[di(4-chlorophenyl)]penta-1,4-dien-3-one were synthesized. Their SHG conversion efficiencies are reported to be 6.0 and 5.0 times that of urea and hyper polarizabilities are 9.9×10⁻³⁰ and 10.2×10⁻³⁰ esu, respectively. The third-order nonlinear optical properties in PMMA matrix were studied by Z-scan technique using 7 ns laser pulses at 532 nm. The nonlinear refractive index γ, nonlinear absorption coefficient β, magnitude of effective third order susceptibility χ⁽³⁾ and the coupling factor ρ have been investigated. The values obtained are of the order of 10⁻¹⁴ cm²/W, 1.2 cm/GW, 10⁻¹⁴ esu and 0.2, respectively, which are comparable with the values obtained in stilbazoleum like dyes. The experimental investigation also shows that they are very interesting optical limiting materials and their optical limiting behaviour is mainly due to two photon absorption phenomenon.     

Simulation of population balance model-based particulate processes via parallel and distributed computing

Population Balance Models (PBMs), a class of integro partial differential equations, are utilized for simulating dynamics of numerous particulate systems. PBMs describe the time evolutions and distributions of many particulate processes and their efficient and quick simulation are critical for enhanced process control and optimization, especially for real-time applications. However, their intensive computational resource requirement is largely a prohibitive factor in the utility of PBMs for control and optimization. This paper describes how distributed computing systems may be leveraged to execute PBM-based simulations thus achieving time savings, using MATLAB's Distributed Computing Toolbox. A parallel computing algorithm was developed for a three dimensional and four dimensional population balance model with built-in constructs such as SPMD that ran efficiently on a cluster of two quad-core machines linked via a gigabit ethernet cable. Speedup of 6.2 and 5.7 times were achieved with 8 workers, over an un-parallelized code, for a 3 and 4 dimensional PBM respectively. Evaluations on work efficiency and scalability further affirm the algorithms’ respectable performance on larger clusters despite significant memory transfer overheads.     

The effect of nitrogen and sulphur compounds on extreme pressure lubrication

This paper reports the synthesis of hydroxyheptadecyl-substituted-1,3,4-thiadiazoles and mercapto-1,2,4-triazoles and the evaluation of extreme pressure activity of their admixtures (0.5% and 1% w/ v) with a paraffinic oil in a four-ball test. Alloy steel bearing balls of 12.7 mm diameter were used as test specimens. All the additives exhibited good activity in reducing wear and increasing the values of mean Hertz load (MHL) and flash temperature parameter (FTP) as compared to the base fluid. The presence of p-methoxy- and p-chloro- groups in the thiadiazole and mercapto triazole rings has been found to enhance the activity of these additives. Scanning Auger Electron Spectroscopy surface studies were conducted to analyse the additive-metal interaction.