Modeling the depletion of dissolved oxygen in a water body located near a city

Water bodies located nearby cities are much prone to pollution, especially in the developing countries, where effluents treatment facilities are generally lacking. The main reason for this phenomenon is the increasing population in the cities, and the large number of industries located near them. This leads to generation of huge amounts of domestic and industrial sewage that is discharged into the water bodies, increasing their organic pollutant load and resulting in the depletion of dissolved oxygen. In this paper, we propose a mathematical model for this situation, focusing especially on the resulting quality of the water, determined by the level of dissolved oxygen. The model also accounts for resources needed for the population survival and for the industrial operations. In addition, we describe also the decomposition of organic pollutants by bacteria in the aquatic medium. Feasibility conditions and stability criteria of the system's equilibria are determined analytically. The results show that human population and industries are relevant influential factors responsible for the increase in organic pollutants and the decrease in dissolved oxygen in the water body, in the sense that they may exert a destabilizing effect on the system. The numerical simulations confirm the analytical results. Copyright © 2016 John Wiley & Sons, Ltd.     

Nickel-catalyzed Negishi cross-coupling reactions of secondary alkylzinc halides and aryl iodides

A general Ni-catalyzed process for the cross-coupling of secondary alkylzinc halides and aryl/heteroaryl iodides has been developed. This is the first process to overcome the isomerization and β-hydride elimination problems that are associated with the use of secondary nucleophiles, and that have limited the analogous Pd-catalyzed systems. The impact of salt additives was also investigated. It was found that the presence of LiBF(4) dramatically improves both isomeric retention and yield for challenging substrates.     

Fuzzy goal programming for inventory management: A bacterial foraging approach

An efficient inventory planning approach in today’s global trading regime is necessary not only for increasing the profit margin, but also to maintain system flexibility for achieving higher customer satisfaction. Such an approach should hence be comprised of a prudent inventory policy and clear satisfaction of stakeholder’s goals. Relative significance given to various objectives in a supply chain network varies with product as well as time. In this paper, a model is proposed to fill this void for a single product inventory control of a supply chain consisting of three echelons. A generic modification proposed to the membership functions of the fuzzy goal-programming approach is used to mathematically map the aspiration levels of the decision maker. The bacterial foraging algorithm has been modified with enhancement of the algorithms’ capability to map integer solution spaces and utilised to solve resulting fuzzy multi-objective function. An illustrative example comprehensively covers various decision scenarios and highlights the underlying managerial insights.     

Synthesis and α‐glucosidase inhibitory,DPPH scavenging activity of substituted 2‐oxo‐2H‐chromen‐7‐yl‐dihydrogen phosphate derivatives

Series of phosphorylated coumarin derivatives ( 4a , 4b , 4c , 4d , 4e , 4f , 4g , 4h , 4i , 4j ) were synthesized by Pechmann condensation, phosphorylation, and debenzylation reactions in very good yields. Thus, synthesized compounds ( 4a , 4b , 4c , 4d , 4e , 4f , 4g , 4h , 4i , 4j ) were evaluated for their α‐glucosidase and 1,1‐diphenyl‐2‐picrylhydrazyl scavenging activities; few compounds showed moderate to good activity. J. Heterocyclic Chem., 00 , 00 (2011).     

Photocatalytic splitting of CS2 to S8 and a carbon-sulfur polymer catalyzed by a bimetallic ruthenium(II) compound with a tertiary amine binding site: toward photocatalytic splitting of CO2?

The catalytic photocleavage of CS(2) to S(8) and a (C(x)S(y))(n) polymer with visible light using a dinuclear ruthenium(II) compound with a bipyridine units for photoactivity and a vicinal tertiary amine binding site for CS(2) activation was studied. The catalyst was characterized by X-ray diffraction, (1)H NMR, and (13)C NMR, ESI-MS and elemental analysis. CS(2) photocleavage was significant (240 turnovers, 20 h) to yield isolable S(8) and a (C(x)S(y))(n) polymer. A mononuclear catalyst or one without an amine binding site showed significantly less activity. XPS of the (C(x)S(y))(n) polymer showed a carbon/sulfur ratio ～1.5-1.6 indicating that in part both C-S bonds of CS(2) had been cleaved. Catalyst was also included within the polymer. The absence of peaks in the (1)H NMR verified the (C(x)S(y))(n) nature of the polymer, while (13)C NMR and IR indicated that the polymer had multiple types of C-S and C-C bonds.     

Synthesis of BF2 complexes of prodigiosin type oligopyrroles

We developed a simple, facile route for the synthesis of BF(2) complexes of prodigiosin type oligopyrroles and their cholesterol conjugates. This route gives an access to synthesize any desired meso-aryl-substituted 3-pyrrolyl BODIPYs which were not easily accessible earlier.     

Synthesis and DNA binding studies of Ni(II), Co(II), Cu(II) and Zn(II) metal complexes of N1,N5-bis[pyridine-2-methylene]-thiocarbohydrazone Schiff-base ligand

The thiocarbohydrazone Schiff-base ligand with a nitrogen and sulphur donor was synthesized through condensation of pyridine-2-carbaldehyde and thiocarbohydrazide. Schiff-base ligands have the ability to conjugate with metal salts. A series of metal complexes with a general formula [MCl2(H2L)]·nH2O (MNi, Co, Cu and Zn) were synthesized by forming complexes of the N1,N5-bis[pyridine-2-methylene]-thiocarbohydrazone (H2L) Schiff-base ligand. These metal complexes and ligand were characterized by using ultraviolet-visible (UV-Vis), Fourier Transform Infrared (FT-IR), 1H and 13C NMR spectroscopy and mass spectroscopy, physicochemical characterization, CHNS and conductivity. The biological activity of the synthesized ligand was investigated by using Escherichia coli DNA as target. The DNA interaction of the synthesized ligand and complexes on E. coli plasmid DNA was investigated in the aqueous medium by UV-Vis spectroscopy and the binding constant (Kb) was calculated. The DNA binding studies showed that the metal complexes had an improved interaction due to trans-geometrical isomers of the complexes than ligand isomers in cis-positions.     

A new diacylated labdane diterpenoid from Andrographis wightiana

A new acylated labdane diterpenoid, 14-deoxy-3,19-diacetyl-11,12-didehydroandrographolide (1), together with three known labdane diterpenoids, wightionolide (2), andrographolide (3) and neoandrographolide (4), and three known flavones, echioidinin (5), skullcapflavone I 2'-methyl ether (6) and echioidin (7), were isolated from the whole plant of Andrographis wightiana. The structure of compound 1 was elucidated by 1D and extensive 2D-NMR spectral studies.     

Identification of Interaction Pressure Between Structure and Explosive with Inverse Approach

An inverse approach for the identification of the time-dependent localized interaction pressure between a structure and an explosive has been proposed and developed. In this approach, surface measurements of structural response (displacement and velocity) are integrated with numerical simulations to identify the spatial and time-dependent interaction pressure (i.e. the normal traction) on a structure surface. For verification and validation purposes, numerical simulations are used to (a) generate the time-dependent displacement and velocity fields on the free surface of the specimen at specified time intervals, (b) form a blast wave and compute the resulting interaction traction field between the structure and blast wave on the interaction interface for comparison to inverse predictions. In particular, validation of the proposed approach was performed using numerical simulation results for an underwater explosion, with excellent agreement between the identified interaction traction and the simulation generated interaction traction up to and including the maximum traction condition. To demonstrate the potential of the method, the proposed inverse procedure was employed to estimate the interaction traction field on a thin aluminum specimen subjected to transient pressure loading through detonation of explosive buried in sand.     

Experimental investigation into vortex structure and pressure drop across microcavities in 3D integrated electronics

Hydrodynamics in microcavities with cylindrical micropin fin arrays simulating a single layer of a water-cooled electronic chip stack is investigated experimentally. Both inline and staggered pin arrangements are investigated using pressure drop and microparticle image velocimetry (μPIV) measurements. The pressure drop across the cavity shows a flow transition at pin diameter–based Reynolds numbers (Re _d ) ~200. Instantaneous μPIV, performed using a pH-controlled high seeding density of tracer microspheres, helps visualize vortex structure unreported till date in microscale geometries. The post-transition flow field shows vortex shedding and flow impingement onto the pins explaining the pressure drop increase. The flow fluctuations start at the chip outlet and shift upstream with increasing Re _d . No fluctuations are observed for a cavity with pin height-to-diameter ratio h/d = 1 up to Re _d ~330; however, its pressure drop was higher than for a cavity with h/d = 2 due to pronounced influence of cavity walls.