Partial molar volumes of organic compounds in water. III. Carbohydrates

Partial molar volumes in water at 25°C have been determined for a number of carbohydrates, including mono-, di-, tri-, tetra-, penta-, hexa-, hepta-, and polysaccharides and their derivatives. The experimental values can be calculated from the van der Waals volumes of the molecules if account is taken of the shrinkage in volume caused by hydrogen-bonding of solvent molecules to the hydroxyl groups of the sugars.     

Synthesis,characterization and molecular docking of new C,N‐palladacycles containing pyridinium‐derived ligands: DNA and BSA interaction studies and evaluation as anti‐tumor agents

Four new monomeric Pd (II) complexes with formulas [Pd(C,N)‐(2′‐NH₂C₆H₄)C₆H₄ (N₃)(L)] ( A ), ( B ) and [Pd(C,N)‐C₆H₄CH₂NH(C₄H₉)(N₃)(L)] ( C ), ( D ), [L = isonicotinamide for ( A ) and ( C ), L = 4‐N,N‐dimethylaminopyridine for ( B ) and ( D )] have been synthesized using four initial dimers [Pd₂{(C,N)‐(2′‐NH₂C₆H₄)C₆H₄}₂(μ‐OAc)₂] ( 1 ), [Pd₂{(C,N)‐ (2′‐NH₂C₆H₄)C₆H₄}₂(μ‐N₃)₂] ( 3 ) for A and C , and [Pd₂{(C,N)‐C₆H₄CH₂NH(C₄H₉)}₂(μ‐OAc)₂] ( 2 ) and [Pd₂{(C,N)‐C₆H₄CH₂NH(C₄H₉)}₂(μ‐N₃)₂] ( 4 ) for B and D . Then synthesized complexes have been characterized by Fourier transform‐infrared, NMR spectroscopy and thermal gravimetric‐differential thermal analysis. Furthermore, UV–Vis spectroscopy, fluorescence spectroscopy, circular dichroism (CD) and helix melting temperature measurements have been employed to study the binding interaction of them with calf thymus‐deoxyribonucleic acid (DNA). The results reveal that all synthesized complexes can interact with DNA via groove‐binding mode. Bovine serum albumin (BSA)‐binding studies have been carried out using UV–Vis spectroscopy, emission titration and CD. However, competitive binding studies using warfarin, ibuprofen and digoxin on site markers demonstrated that the complexes bind to different sites on BSA. The results also indicated that the binding site was mainly located within site‐III for complex A , and site‐I for complexes B , C and D of BSA. In addition, molecular docking studies have been executed to determine the binding site of the DNA and BSA with complexes. Eventually, in vitro cytotoxicity of synthesized palladium complexes and cisplatin were carried out against human promyelocytic leukemia cancer (Hela) and breast cancer (MCF‐7) cell lines. Pursuant to the IC₅₀ values, the cytotoxicity of complexes against MCF‐7 was more than Hela.     

A shock-detecting sensor for filtering of high-order compact finite difference schemes

A new shock-detecting sensor for properly switching between a second-order and a higher-order filter is developed and assessed. The sensor is designed based on an order analysis. The nonlinear filter with the proposed sensor ensures damping of the high-frequency waves in smooth regions and at the same time removes the Gibbs oscillations around the discontinuities when using high-order compact finite difference schemes. In addition, a suitable scaling is proposed to have dissipation proportional to the shock strength and also to minimize the effects of the second-order filter on the very small scales. Several numerical experiments are carried out and the accuracy of the nonlinear filter with the proposed sensor is examined. In addition, some comparisons with other filters and sensors are made.     

Numerical simulation of melting ice around a floating by microwaves

In this paper a new method in using microwaves is provided for melting the ice around a floating equipment in a freezing condition in cold regions. The numerical simulation’s results for validation are compared with the simple model’s experimental data. Using microwave in melting the ice around a floating equipment is caused by lack of the mechanical wear, low energy dissipation factor and acceptable defrosting process speed in small lakes.     

Feedback Nash Equilibrium for Dynamic Brand and Channel Advertising in Dual Channel Supply Chain

This paper investigates dynamic brand and channel advertising and their effects on market expansion and market share in a dual channel supply chain by using differential game theory. Nash equilibrium of the differential game will be obtained by the feedback approach. A sensitivity analysis was performed to assess the impact of key parameters on optimal strategies and to characterize behaviors of both the manufacturer and retailer over time. Comparative statistics show that a higher compatibility of a product with online marketing leads to a higher advertising effort for the online channel by the manufacturer, an enhanced steady state for demand of the brand as well as greater sales in the steady state through the online channel.