Copper‐Catalyzed Amidation of Primary and Secondary Alkyl Boronic Esters

The oxidative copper‐catalyzed cross‐coupling of functionalized alkyl boronic esters with primary amides is reported. Through the identification of appropriate diketimine ligands, conditions for efficient coupling of both primary and secondary alkyl boronic esters with diverse primary amides, including acetamide, have been developed.     

In-situ investigation of the adsorption of globular model proteins on stimuli-responsive binary polyelectrolyte brushes

Binary brushes constituted from two incompatible polymers can be used in the form of ultrathin polymeric layers as a versatile tool for surface engineering to tune physicochemical surface characteristics such as wettability, surface charge, chemical composition, and morphology and furthermore to create responsive surface properties. Mixed brushes of oppositely charged weak polyelectrolytes represent a special case of responding surfaces that are sensitive to changes in the pH value of the aqueous environment and therefore represent interesting tools for biosurface engineering. The polyelectrolyte brushes used for this study were composed of two oppositely charged polyelelctrolytes poly(2-vinylpyridine) (P2VP) and poly(acrylic acid) (PAA). The in-situ properties and surface characteristics such as as surface charge, surface tension, and extent of swelling of these brush layers are functions of the pH value of the surrounding aqueous solution. To test the behavior of the mixed polylelctrolyte brushes in contact with biosystems, protein adsorption experiments with globular model proteins were performed at different pH values and salt concentrations (confinement of counterions) of the buffer solutions. The influence of the pH value, buffer salt concentration, and isoelectric points (IEP) of the brush and protein on the adsorbed amount and the interfacial tension during protein adsorption as well as the protein adsorption mechanism postulated in reference to recently developed theories of protein adsorption on polyelectrolyte brushes is discussed. In the salted regime, protein adsorption was found to be similar to the often-described adsorption at hydrophobic surfaces. However, in the osmotic regime the balance of electrostatic repulsion and a strong entropic driving force, "counterion release", was found to be the main influence on protein adsorption.     

Reverse phase HPLC determination of sunitinib malate using UV detector,its isomerisation study,method development and validation

Sunitinib malate, as an anticancer compound and a multi-targeted tyrosine-kinase inhibitor for treatment of glioma, was comprehensively studied by using different liquid chromatography methods. Since sunitinib malate shows Z-E isomerism, various reverse phase high performance liquid chromatography (RP-HPLC) programs were designed to access quantitative determination and good separation of Z-E stereoisomers. Moreover, some impurities including N-oxide and impurity B were to be separated from the main isomer with acceptable resolution. In the present work, different RP-HPLC programs were developed in which the type of mobile phase, flow rate, pH, and temperature were optimized to reach the best analysis conditions and control the rate of Z to E conversion. In addition, the effect of some operational parameters during the solution preparation including initial concentration of the analyte, temperature, pH, and type of solvent on the stability of Z isomer were investigated. The opted conditions for quantitative analysis were C8-Hector column as stationary phase, methanol as solvent, ammonium acetate buffer containing triethylamine as mobile phase, the pH of mobile phase of 8.5, the flow rate of 1.0 mL/min, and detection at 425 nm. In this situation the peaks of E and Z isomers were at 16.3 and 19.7 min. Full validation of the designed method was done based on ICH guidelines.     

Kinetic Behavior of Quaternary Ammonium Hydroxides in Mixed Methane and Carbon Dioxide Hydrates

This study evaluates the kinetic hydrate inhibition (KHI) performance of four quaternary ammonium hydroxides (QAH) on mixed CH₄ + CO₂ hydrate systems. The studied QAHs are; tetraethylammonium hydroxide (TEAOH), tetrabutylammonium hydroxide (TBAOH), tetramethylammonium hydroxide (TMAOH), and tetrapropylammonium hydroxide (TPrAOH). The test was performed in a high-pressure hydrate reactor at temperatures of 274.0 K and 277.0 K, and a concentration of 1 wt.% using the isochoric cooling method. The kinetics results suggest that all the QAHs potentially delayed mixed CH₄ + CO₂ hydrates formation due to their steric hindrance abilities. The presence of QAHs reduced hydrate formation risk than the conventional hydrate inhibitor, PVP, at higher subcooling conditions. The findings indicate that increasing QAHs alkyl chain lengths increase their kinetic hydrate inhibition efficacies due to better surface adsorption abilities. QAHs with longer chain lengths have lesser amounts of solute particles to prevent hydrate formation. The outcomes of this study contribute significantly to current efforts to control gas hydrate formation in offshore petroleum pipelines.     

Should retail stores also RFID-tag ‘cheap’ items?

Despite their implementations in a wide variety of applications, there are very few instances where every item sold at a retail store is RFID-tagged. While the business case for expensive items to be RFID tagged may be somewhat clear, we claim that even ‘cheap’ items (i.e., those that cost less than an RFID tag) should be RFID tagged for retailers to benefit from efficiencies associated with item-level visibility. We study the relative price premiums a retailer with RFID tagged items can command as well as the retailer’s profit to illustrate the significance of item-level RFID-tagging both cheap and expensive items at a retail store. Our results indicate that, under certain conditions, item-level RFID tagging of items that cost less than an RFID tag has the potential to generate significant benefits to the retailer. The retailer is also better off tagging all items regardless of their relative price with respect to that of an RFID tag compared to the case where only the expensive item is RFID-tagged.     

A variational approach to define robustness for parametric multiobjective optimization problems

In contrast to classical optimization problems, in multiobjective optimization several objective functions are considered at the same time. For these problems, the solution is not a single optimum but a set of optimal compromises, the so-called Pareto set. In this work, we consider multiobjective optimization problems that additionally depend on an external parameter ${\lambda \in \mathbb{R}}$ , so-called parametric multiobjective optimization problems. The solution of such a problem is given by the λ-dependent Pareto set. In this work we give a new definition that allows to characterize λ-robust Pareto points, meaning points which hardly vary under the variation of the parameter λ. To describe this task mathematically, we make use of the classical calculus of variations. A system of differential algebraic equations will turn out to describe λ-robust solutions. For the numerical solution of these equations concepts of the discrete calculus of variations are used. The new robustness concept is illustrated by numerical examples.     

Optimization for discretized switched systems

Switching time optimization is a crucial topic in the optimal control of hybrid systems. Since it is rare that such problems can be solved analytically, the use of numerical discretization schemes for the integration of state and adjoint systems is indispensable. Thus, in this contribution, the switching time optimization problem is studied in a discretized formulation directly from the beginning. An analysis of the discretized problem reveals that smoothness of the original (continuous time) problem is lost, i.e. the problem will in general become nondifferentiable in discrete time. This has to be taken into account when deriving an adjoint-based formula for the optimization of the discretized problem. A hybrid double pendulum example is used for illustration of the results. (© 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Evaluating and selecting the supplier in detergent production industry using hierarchical fuzzy TOPSIS

Supply chain management has increasingly attracted attention as a systematic approach to integrate the supply chain in order to planning and controlling the materials and information from suppliers to customers. One of the most important issues in supply chain management is selection of the appropriate supplier which has significant effect on purchasing cost decrease and increase in the organization’s competition ability. Selection of the best supplier is naturally complex with no definite structure, and dependent on the type of suppliers’ activity. In the process of decision making about suppliers and many qualitative and quantitative performance indicators such as quality, price, flexibility, and due date should be considered. Then, the supplier selection problem is a multi-criteria decision making problem where numerous methods have been proposed to solve this problem so far. In the current paper, four suppliers of imported raw material “Tripolyphosphate (TPP)” (primary material to produce the detergent powder with a case study in Iran) are evaluated based on 25 effective criteria using the hierarchical fuzzy TOPSIS (HFTOPSIS) approach.