Synthesis of New Highly Functionalized 1H-Indole-2-carbonitriles via Cross-Coupling Reactions

An approach for the preparation of polysubstituted indole-2-carbonitriles through a cross-coupling reaction of compounds 1-(but-2-ynyl)-1H-indole-2-carbonitriles and 1-benzyl-3-iodo-1H-indole-2-carbonitriles is described. The reactivity of indole derivatives with iodine at position 3 was studied using cross-coupling reactions. The Sonogashira, Suzuki–Miyaura, Stille and Heck cross-couplings afforded a variety of di-, tri- and tetra-substituted indole-2-carbonitriles.     

Influence of Salinity Stress on Color Parameters,Leaf Pigmentation,Polyphenol and Flavonoid Contents,and Antioxidant Activity of Amaranthus lividus Leafy Vegetables

This is the first attempt to evaluate the impact of four salinity levels on the color parameters, pigments, polyphenols, flavonoids, and antioxidant capacities of four promising A. lividus genotypes. The color parameters, such as the yellowness/blueness (b*) and the chroma (C*); the antioxidant components, such as the polyphenols and flavonoids; and the antioxidant capacities of the leaves were remarkably increased by 39, 1, 5, 10 and 43%, respectively, at 50 mM of NaCl, and by 55, 5, 60, 34, 58 and 82%, respectively, at 100 mM NaCl concentrations. The green tower and SA6 genotypes were identified as tolerant varieties. The total phenolic content (TPC) and the total flavonoid content (TFC) played vital roles in scavenging reactive oxygen species (ROS), and they would be beneficial for the human diet and would serve as good antioxidants for the prevention of aging, and they are also essential to human health. A correlation study revealed the strong antioxidant capacities of the pigments and antioxidant components that were studied. It was revealed that A. lividus could tolerate a certain level of salinity stress without compromising the antioxidant quality of the final product. Taken together, our results suggest that A. lividus could be a promising alternative crop for farmers, especially in saline-prone areas in the tropical and subtropical regions.     

Regioselective One-Pot Synthesis,Biological Activity and Molecular Docking Studies of Novel Conjugates N-(p-Aryltriazolyl)-1,5-benzodiazepin-2-ones as Potent Antibacterial and Antifungal Agents

Novel 1,2,3-triazolo-linked-1,5-benzodiazepinones were designed and synthesized via a Cu(I)-catalyzed 1,3-dipolar alkyne-azide coupling reaction (CuAAC). The chemical structures of these compounds were confirmed by ¹H NMR, ¹³C NMR, HMBC, HRMS, and elemental analysis. The compounds were screened for their in vitro antibacterial and antifungal activities. Several compounds exhibited good to moderate activities compared to those of established standard drugs. Furthermore, the binding interactions of these active analogs were confirmed through molecular docking.     

Toxicity of Bioactive Molecule Andrographolide against Spodoptera litura Fab and Its Binding Potential with Detoxifying Enzyme Cytochrome P450

Spodoptera litura Fab. is a polyphagous pest causing damage to many agriculture crops leading to yield loss. Recurrent usage of synthetic pesticides to control this pest has resulted in resistance development. Plant-derived diterpenoid compound andrographolide was isolated from the leaves of Andrographis paniculata. It was analysed by gas chromatography-mass spectroscopy and quantified by HPLC. Nutritional indices and digestive enzymatic profile were evaluated. Third, fourth and fifth instar larvae were treated with different concentrations of andrographolide. At 3, 6 and 9 ppm-treated concentrations the larvae showed decreased RGR, RCR, ECI, ECD values with adverse increase in AD. The digestive enzymes were significantly inhibited when compared with control. Conspicuously, andrographolide showed pronounced mortality of S. litura by inhibition of enzyme secretion and intake of food. The binding ability of andrographolide with CYTP450 showed high affinity with low binding energy. Andrographolide has the potential to be exploited as a biocontrol agent against S. litura as an eco-friendly pesticide.     

Experimental investigation of liquid jet injection into Mach 6 hypersonic crossflow

The injection of a liquid jet into a crossing Mach 6 air flow is investigated. Experiments were conducted on a sharp leading edge flat plate with flush mounted injectors. Water jets were introduced through different nozzle shapes at relevant jet-to-air momentum–flux ratios. Sufficient temporal resolution to capture small scale effects was obtained by high-speed recording, while directional illumination allowed variation in field of view. Shock pattern and flow topology were visualized by Schlieren-technique. Correlations are proposed on relating water jet penetration height and lateral extension with the injection ratio and orifice diameter for circular injector jets. Penetration height and lateral extension are compared for different injector shapes at relevant jet-to-air momentum–flux ratios showing that penetration height and lateral extension decrease and increase, respectively, with injector’s aspect ratio. Probability density function analysis has shown that the mixing of the jet with the crossflow is completed at a distance of x/d _j  ~ 40, independent of the momentum–flux ratio. Mean velocity profiles related with the liquid jet have been extracted by means of an ensemble correlation PIV algorithm. Finally, frequency analyses of the jet breakup and fluctuating shock pattern are performed using a Fast Fourier algorithm and characteristic Strouhal numbers of St = 0.18 for the liquid jet breakup and of St = 0.011 for the separation shock fluctuation are obtained.     

Fe3O4-modified graphene oxide as a sorbent for sequential magnetic solid phase extraction and dispersive liquid phase microextraction of thallium

Microchimica Acta - A combination of magnetic solid phase extraction (MSPE) and dispersive liquid phase microextraction (DLPME) was applied in a new method for preconcentration and extremely...     

Application of classification methods to analyze chemicals in drinking water quality

Accreditation and Quality Assurance - To analyze drinking water dataset, various statistical methods have been applied, including discriminant analysis, logistic regression and cluster analysis, to...     

Design of a wind farm collection network when several cable types are available

In this article we consider a real-world problem submitted to us by the Hatch company. This problem consists of designing a collection network for a wind farm, assuming that the locations of the turbines and the potential cables are known, several cable types are available, and the cost of the energy that dissipates through the cables is known. We propose a mixed integer quadratic programme to model the network design problem and then linearize the quadratic programme because the latter is too difficult to solve using a standard mathematical programming software. We describe several classes of inequalities that strengthen the resulting mixed integer linear programme. Finally we use real-world data supplied by Hatch to carry out computational experiments with several versions of our model.     

Determination of the structure factor for the rare gas fluids based on the ORPA theory and LIR equation of state

Linear isotherm regularity is applied to generate an expression for the direct correlation function (DCF), based on the optimized random-phase approximation theory. We use the Lennard-Jones potential in the modelling of real fluids, in which its molecular parameters are state-dependent. Based on the perturbation theory, we assume that the core contribution of the DCF is related to the geometric effect via a linear form, which arises from the excluded volume, and the tail contribution is related to the long-range intermolecular interactions of the system via a non-linear form. We use this model to predict the behaviour of the structure factor, S(k), in a wide range of k values for the xenon and krypton liquids. Finally, we compare our results with the experimental and theoretical data available in literature. The model is also successful in the presentation of the Ornstein–Zernike behaviour of S(k) at the low-k region.