Examination of Template Structural Effects on CEC Chiral Separation Performance of Molecule Imprinted Polymers Made by a Generalized Preparation Protocol

Some acidic chiral templates were used to prepare open tubular (OT) molecule imprinted polymer (MIP) capillary columns to explore the effects of molecular structures of templates on chiral recognition capabilities and to verify the feasibility of the general MIP preparation protocol introduced in the previous study. The templates are phenyl carboxylic acids and their derivatives. Optimization was carried out for chiral separation of template enantiomers for each MIP column through varying pH and composition of eluent. It was found that the preparation protocol can be successfully applied for the appropriate templates with functional groups fulfilling the three-points interaction rule. The chiral separation performances were quite satisfactory for MIPs of such templates although they are yet inferior to the separation performances of the MIP columns fabricated with the templates of profen drugs (2-arylpropionic acids with a large substituent on the phenyl ring). Subtle variations of the template molecular structures have been found to be critical to enhance chiral recognition ability of the resultant MIP column.     

Spectrophotometric determination of the formation constants of some transition metal cations with a new synthetic Schiff base in dichloromethane and chloroform using rank annihilation factor analysis

The complex formation between a new synthesized Schiff base and the cations Ni²⁺, Co²⁺, Cu²⁺, Zn²⁺ in dichloromethane (DCM) and chloroform solutions was investigated spectrophotometrically using rank annihilation factor analysis (RAFA). The results of mole ratio plots and continuous variation data show the stoichiometry of complexation were found to be 1:1, and 2:1 metal ion to ligand. The stoichiometry was obtained as 1:1 metal ion to ligand ratio for Co²⁺, Ni²⁺ and Zn²⁺ in chloroform and 2:1 for Cu²⁺. In DCM the stoichiometry was obtained as 1:1 for Co²⁺ and 2:1 for Ni²⁺ and Zn²⁺ and a consecutive 2:1 metal ion to ligand ratio was obtained for Cu²⁺. Formation constants of these complexes were estimated by application of RAFA on spectrophotometric data. In this process the contribution of ligand was removed from the absorbance data matrix when the complex stability constant acts as an optimizing object and simply combined with the pure spectrum of the ligand, the rank of the original data matrix can be reduced by one by annihilating the information of the ligand from the original data matrix.     

Unlocking Hydrogenation for C-C Bond Formation: A Brief Overview of Enantioselective Methods

Hydrogenation of π-unsaturated reactants in the presence of carbonyl compounds or imines promotes reductive C-C coupling, providing a byproduct-free alternative to stoichiometric organometallic reagents in an ever-increasing range of C=X (X = O, NR) additions. Under transfer hydrogenation conditions, hydrogen exchange between alcohols and π-unsaturated reactants triggers generation of electrophile-nucleophile pairs, enabling carbonyl addition directly from the alcohol oxidation level, bypassing discrete alcohol oxidation and generation of stoichiometric byproducts.     

Synthesis, experimental and theoretical characterization of N,N'-dipyridoxyl (1,4-butanediamine) Schiff-base ligand and its Cu(II) complex

A new N,N'-dipyridoxyl(1,4-butanediamine) [=H(2)BS] Schiff-base ligand and its Cu(II) salen complex, [Cu(BS)(H(2)O)(CH(3)OH)], were synthesized and characterized by IR, UV-vis, (1)H NMR, mass spectrometry and elemental analysis. Also, full optimization of the geometries, (1)H NMR chemical shifts (for the H(2)BS) and vibrational frequencies were calculated by using density functional theory (DFT) method. Structure of the H(2)BS ligand is not planar, i.e. two pyridine rings are not in the same plane. In the structure of the Cu complex, the Schiff-base ligand acts as a dianionic tetradentate ligand in N, N, O(-), O(-) manner. The coordinating atoms of BS(2-) occupy equatorial positions of the octahedral complex, where the H(2)O and CH(3)OH ligands locate at axial positions. The calculated results are in good agreement with the experimental data, confirming the suitability of the proposed and optimized structures for the H(2)BS ligand and its Cu complex.     

Synthesis, characterization and fluorescent property evaluation of 1,3,5-triaryl-2-pyrazolines

A series of 1,3,5-triaryl-2-pyrazolines was synthesized by dissolving the corresponding 4-alkoxychalcones in glacial acetic acid containing a few drops of concentrated hydrochloric acid. This step was followed by the addition of (3,4-dimethylphenyl) hydrazaine hydrochloride. Finally the target compounds were precipitated by pouring the reaction mixture onto crushed ice. The structures of the synthesized compounds were established by physicochemical and spectroscopic methods. The 1,3,5-triaryl-2-pyrazolines bearing homologous alkoxy groups were found to possess fluorescence properties in the blue region of the visible spectrum when irradiated with ultraviolet radiation. The fluorescent behavior of these compounds was studied by UV-Vis and emission spectroscopy, performed at room temperature.     

Eulerian-Eulerian two-phase numerical simulation of nanofluid laminar forced convection in a microchannel

In this paper, laminar forced convection heat transfer of a copper-water nanofluid inside an isothermally heated microchannel is studied numerically. An Eulerian two-fluid model is considered to simulate the nanofluid flow inside the microchannel and the governing mass, momentum and energy equations for both phases are solved using the finite volume method. For the first time, the detailed study of the relative velocity and temperature of the phases are presented and it has been observed that the relative velocity and temperature between the phases is very small and negligible and the nanoparticle concentration distribution is uniform. However, the two-phase modeling results show higher heat transfer enhancement in comparison to the homogeneous single-phase model. Also, the heat transfer enhancement increases with increase in Reynolds number and nanoparticle volume concentration as well as with decrease in the nanoparticle diameter, while the pressure drop increases only slightly.     

Diffeomorphisms with <Emphasis Type="Italic">L</Emphasis><Superscript><Emphasis Type="Italic">p</Emphasis></Superscript>-shadowing property

We give a characterization of structurally stable diffeomorphisms by making use of the notion of L ^p -shadowing property. More precisely, we prove that the set of structurally stable diffeomorphisms coincides with the C ¹-interior of the set of diffeomorphisms having L ^p -shadowing property.     

Proximal-type algorithms for split minimization problem in P-uniformly convex metric spaces

Numerical Algorithms - In this paper, we study strong convergence of some proximal-type algorithms to a solution of split minimization problem in complete p-uniformly convex metric spaces. We also...     

The value of information for price dependent demand

Predicting demand and determining optimal pricing are essential components of operations management. It is often useful to think in terms of the price elasticity of demand when reasoning about the demand curve. Firms wishing to invest in demand prediction and information gathering should reason about the relationship between the expected value of perfect information (EVPI) on demand and demand elasticity. Should firms pay more/less for information on demand if elasticity is high/low? Furthermore, when considering different product prices, correlation may exist between demand at different prices. Should firms pay more/less for information if the correlation between demand at different prices is high or low? This paper derives analytic and numeric results to answer these questions. We start with the assumption that demand is uncertain and follows a uniformly distributed band around a deterministic demand curve where the upper and lower bounds of the demand distribution vary with price. This formulation enables a closed form expression for EVPI that provides a useful benchmark. We find nuanced behavior of EVPI that depends on both the elasticity and the initial price preference. The EVPI approaches zero as elasticity increases (decreases) for a firm that initially prefers the low (high) price. Numerical results using the truncated normal and beta distributions relax assumptions about the uniform distribution and show EVPI is similar when the distribution variances are similar. Finally, we relax the assumption of perfect information and show the expected value of imperfect information (EVOI) follows similar patterns as EVPI with respect to demand elasticity.     

A technique for the determination of ruthenium stable isotopes in urine samples

Proton activation analysis has been recently applied for the determination of stable isotopes of trace metals in blood plasma samples taken from volunteers during tracer kinetic studies. The very low values of intestinal uptake for some elements, like ruthenium, make the kinetics of the excretion crucial for interpreting the bioassay data. Therefore, a procedure has been developed to process urine samples in order to have proper targets for the activation with protons. Preliminary tests with Ru-doped samples, conducted using the MC-40 Cyclotron at JRC Ispra, has confirmed the feasibility of the method. The minimum detectable concentrations, in the current operating conditions, are 16 ng ⁹⁹Ru^·ml⁻¹ and 0.5 ng ¹⁰¹Ru^·ml⁻¹. On leave from the Federal University of Technology, Akure, Nigeria.