Hetero-aromatic N-base-promoted oxidation of 4-chlorobenzyl alcohol by Cr(VI) in micellar media

Research on Chemical Intermediates - A little attempt has been made to get in touch with the green chemistry studying the successful occurrence of oxidation of 4-chlorobenzyl alcohol to...     

Kinetic study of CO2 absorption in aqueous solutions of 2-((2-aminoethyl)amino)-ethanol using a stirred cell reaction calorimeter

In the literature, aqueous 2-((2-aminoethyl)amino) ethanol (AEEA) is identified as a promising solvent for postcombustion CO₂ capture. In this work, the kinetics of CO₂ absorption in the aqueous AEEA, containing a primary and a secondary amino group, is studied over a wide temperature range of 303.15-343.15 K and the amine concentration in the range of 0.47-2.89 M using the fall-in-pressure technique in a stirred cell reaction calorimeter setup with a horizontal gas-liquid interface. The overall rate constants for (AEEA + H₂O + CO₂) reaction system are estimated in the pseudo–first-order reaction regime. The kinetic models based on zwitterion and the termolecular reaction mechanisms are used to predict kinetic rate constants. The experimental kinetic data are better correlated using the zwitterion mechanism (AAD 9.18%) than that of the termolecular mechanism (AAD 10.4%). The density, viscosity, and physical solubility of pure components and aqueous binary mixtures of AEEA are also measured at the similar temperature and concentration ranges of rate kinetics. Empirical models are proposed to predict pure component density and viscosity data with AAD of 0.02% and 7.17%, respectively. The Redlich-Kister model, the Grunberg-Nissan model, and the O'Connell's model are used to correlate experimental density, viscosity, and physical solubility data of the binary mixtures with AAD of 0.034%, 4.92%, and 6.5%, respectively. The reaction activation energy (E_a ∼ 32 kJ/mol) of the (AEEA + H₂O + CO₂) system is calculated from the Arrhenius power-law model using the zwitterion mechanism, which indicates lower energy barrier than that of the reported value for monoethanolamine (∼44 kJ/mol) in the literature.     

Study of coulomb explosion and dissociation channels in dicationic argon clusters: a study based on stochastic optimization

In this article, we explore the use of stochastic optimization technique, namely simulated annealing, in elucidating the correct cut-off limit for suppression of Coulomb explosion in dicationic argon gas clusters. We also do a detail study of cluster sizes where the clusters are not stable as one single entity, and try to find out the dissociation channels for these, namely fission or non-fission type. We compare our results with available literature results, both theoretical and experimental.     

Water-soluble polymer anchored peroxotitanates as environmentally clean and recyclable catalysts for mild and selective oxidation of sulfides with H2O2 in water

Anchoring of peroxotitanium (pTi) species to linear water-soluble acrylic acid based polymers, poly(sodium acrylate) (PA) and poly(sodium methacrylate) (PMA) led to the successful synthesis of a pair of new, water-tolerant and recyclable catalysts of the type [Ti₂(O₂)₂O₂(OH)₂]^4-—L (L = PA or PMA), highly effective in chemoselective sulfoxidation of organic sulfides with 30% H₂O₂ in aqueous medium at ambient temperature. The catalytic protocol is high yielding (TOF up to 11,280 h^?1), operationally simple as well as environmentally clean and safe, being free from halide, or any other toxic auxiliaries. The catalysts are sufficiently stable to afford easy recyclability for at least 10 consecutive reaction cycles of sulfoxidation with consistent activity selectivity profile. Oxidation of dibenzothiophene (DBT) to respective high purity sulfoxide or sulfone could also be accomplished using the same catalysts by variation of reaction conditions.     

Nonlinear dynamics of functionally graded pipes conveying hot fluid

For improved stability of fluid-conveying pipes operating under the thermal environment, functionally graded materials (FGMs) are recommended in a few recent studies. Besides this advantage, the nonlinear dynamics of fluid-conveying FG pipes is an important concern for their engineering applications. The present study is carried out in this direction, where the nonlinear dynamics of a vertical FG pipe conveying hot fluid is studied thoroughly. The FG pipe is considered with pinned ends while the internal hot fluid flows with the steady or pulsatile flow velocity. Based on the Euler–Bernoulli beam theory and the plug-flow model, the nonlinear governing equation of motion of the fluid-conveying FG pipe is derived in the form of the nonlinear integro-partial-differential equation that is subsequently reduced as the nonlinear temporal differential equation using Galerkin method. The solutions in the time or frequency domain are obtained by implementing the adaptive Runge–Kutta method or harmonic balance method. First, the divergence characteristics of the FG pipe are investigated and it is found that buckling of the FG pipe arises mainly because of temperature of the internal fluid. Next, the dynamic characteristics of the FG pipe corresponding to its pre- and post-buckled equilibrium states are studied. In the pre-buckled equilibrium state, higher-order parametric resonances are observed in addition to the principal primary and secondary parametric resonances, and thus the usual shape of the parametric instability region deviates. However, in the post-buckled equilibrium state of the FG pipe, its chaotic oscillations may arise through the intermittent transition route, cyclic-fold bifurcation, period-doubling bifurcation and subcritical bifurcation. The overall study reveals complex dynamics of the FG pipe with respect to some system parameters like temperature of fluid, material properties of FGM and fluid flow velocity.     

Study on South African Indigenous Teas—Antioxidant Potential,Nutritional Content,and Hypoxia-Induced Cyclooxygenase Inhibition on U87 MG Cell Line

Background: This study comparatively assessed seven indigenous traditional tea plants on several attributes that included antioxidant, nutritional, caffeine contents, and cyclooxygenase activity. Methodology: Nutritional content of all tea plants were determined for energy, fat, carbohydrates, total sugars, dietary fiber and amino acids. Antioxidant potential and the antioxidant potentiating secondary metabolites were also measured and compared. Further, we investigated the tea plants for any role they would have on cyclooxygenase (COX) activity on cobalt chloride (CoCl₂) induced human glioma cell lines (U87MG). Results: The tea plants were found non-cytotoxic at concentrations tested against the human Chang liver and HeK 293 kidney cells and were found to be naturally caffeine free. The lowest and highest extraction yield among the tea plants was 7.1% for B. saligna and 15.48% for L. scaberrimma respectively. On average, the flavonol content was 12 to 8 QE/g, ORAC 800 µmol TE/g, TEAC 150 µmol TE/g, FRAP 155 µmol AAE/g, polyphenols 40 mg GAE/g, flavanols 0.35 mg CE/g, flavonols 12 mg QE/g and total flavonoid content (TFC) 180 µg QE/mg. The COX activity has been found to be inhibited by a dose-dependent manner by L. scaberrimma, B. saligna and L. javanica. Conclusion: The results further support competitive value of tea plants and need for improved and further development.     

Design and Development of Axially Chiral Bis(naphthofuran) Luminogens as Fluorescent Probes for Cell Imaging

Designing chiral AIEgens without aggregation-induced emission (AIE)-active molecules externally tagged to the chiral scaffold remains a long-standing challenge for the scientific community. The inherent aggregation-caused quenching phenomenon associated with the axially chiral (R)-[1,1′-binaphthalene]-2,2′-diol ((R)-BINOL) scaffold, together with its marginal Stokes shift, limits its application as a chiral AIE-active material. Here, in our effort to design chiral luminogens, we have developed a design strategy in which 2-substituted furans, when appropriately fused with the BINOL scaffold, will generate solid-state emissive materials with high thermal and photostability as well as colour-tunable properties. The excellent biocompatibility, together with the high fluorescence quantum yield and large Stokes shift, of one of the luminogens stimulated us to investigate its cell-imaging potential. The luminogen was observed to be well internalised and uniformly dispersed within the cytoplasm of MDA-MB-231 cancer cells, showing high fluorescence intensity.     

Synthesis of 2-(ethynyloxy)naphthaene-1-carbaldehyde using 2-hydroxy benzyl alcohol and propargyl bromide in aqueous micellar media

Research on Chemical Intermediates - A highly convenient method has been developed for the synthesis of 2-(ethynyloxy) napthaene-1-carbaldehyde and its derivatives. Substituted naphthalene...