Self‐doping PPV oligomers – electrochemistry and structure of the self‐doped systems

A novel class of self‐doping conjugated oligomers, E,E‐2‐(sulfoalkoxy)‐5‐alkoxy‐1,4‐bis[2‐(2,4,6‐trimethoxyphenyl) ethenyl]benzenes, is presented. The synthesis and spectroscopic characterisation of five such oligomers are described, and an electrochemical analysis using cyclic voltammetry is performed to determine the anodic peak potentials. A structural study is performed on six self‐doping oligomers in which the structures and energies of the possible mono‐molecular forms of the electrically conducting doped material are described and evaluated using Hirshfeld charges and the Quantum Theory of Atoms In Molecules. Copyright © 2009 John Wiley & Sons, Ltd.     

Air-coupled ultrasonic assessment of wood veneer

Air-coupled ultrasound (ACU) provides a tool to evaluate wood samples of small or moderate thickness (<30 mm) thereby avoiding direct contact or liquid coupling. Results of through-transmission ACU measurements on wood veneer samples and related products are reported with respect to a wide variety of quality aspects. Fluctuations in the averaged received signal levels appear to be correlated to the presence of natural or machine-induced thickness and density variations, flaws and grain damage, errors produced by the manufacturing process, insufficient bonding on a substrate, etc. In addition it is seen that the variability of the signal levels enables to distinguish between quarter and crown areas.     

Synthesis,characterization, and cytotoxicity evaluation of high-magnetization multifunctional nanoclusters

The paper presents the synthesis, characterization, and in vitro cytotoxicity tests of Fe₃O₄ magnetic nanoclusters coated with ethylenediaminetetraacetic acid disodium salt (EDTA). Electron microscopy analysis (SEM) evidences that magnetite nanoparticles are closely packed into the clusters stabilized with EDTA with well-defined near spherical shapes and sizes in the range 100–200 nm. From XRD measurements, we determined the mean size of the crystallites inside the magnetic cluster about 36 nm. The saturation magnetization determined for the magnetic clusters stabilized with EDTA has high value, about 81.7 emu/g at 300 K. X-ray photoelectron spectroscopy has been used to determine both the elemental and chemical structure of the magnetic cluster surface. In vitro studies have shown that the magnetic clusters at low doses did not induce toxicity on human umbilical vein endothelial cells or lesions of the cell membrane. In contrast, at high doses, the magnetic clusters increased the lipid peroxidation and reduced the leakage of a cytoplasmic enzyme, lactate dehydrogenase (LDH), in parallel with increasing the antioxidant defense.

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Graphical abstract SEM images of EDTA-coated magnetic clusters (MCs) and the HUVEC viability at different MC doses

     

A Computational Study of CIONO2H+: Structure and Vibrations

Two protonated forms of chlorine nitrate, HClONO⁺ ₂ and ClONO₂H⁺, are treated ab initio by the Hartree-Fock and the second order Møller-Plesset perturbation approach with the standard 6–31G* basis set. Both minimum energy structures are planar (C ₃ symmetry) and their structural, energy, and vibrational parameters are reported. The computations conclude that the proton attacks the chlorine nitrate at its central, not end, oxygen atom. The protonation causes a considerable elongation of the central ON bond which becomes most probable place of cleavage. The dissociation should yield the neutral HOCl and NO⁺ ₂. These quantum-chemical findings well agree with the previous experimental indications.

     

Simple power supply for power load controlled isoelectric focusing

The power supply for IEF based on features of the Cockcroft‐Walton voltage multiplier (CW VM) is described in this work. The article describes a design of the IEF power supply, its electric characteristics, and testing by IEF analysis. A circuit diagram of the power supply included two opposite charged branches (each consisting of four voltage doublers). The designed CW VM was powered by 230 V/50 Hz alternate current and it generated up to 5 kV and 90 mW at the output. Voltage and current characteristics of the power supply were measured by known load resistances in the range from 10 kΩ to 1 GΩ, which is a common resistance range for IEF strip geometry. Further, the power supply was tested by a separation of a model mixture of colored pI markers using a 175 × 3 × 0.5 mm focusing bed. Automatically limited power load enabled analysis of samples without previous optimization of the focusing voltage or electric current time courses according to sample composition. Moreover, the developed power supply did not produce any intrinsic heat and was easy to set up with cheap and commonly available parts.     

Recognition of chiral anions using calix[4]arene-based ureido receptor in the 1,3-alternate conformation

A new type of calixarene-based receptor designed for the recognition of chiral anions was prepared by the introduction of (S)-2-methylbutan-1-ol moieties into the lower rim of calixarene. The immobilization of calixarene skeleton in the 1,3-alternate conformation enabled the construction of a cavity consisting of preorganised ureido functions and chiral substituents in close proximity. This cavity is capable of chiral discrimination of selected anions as demonstrated on d- and l-phenylalaninates.     

Mass spectrometry in drug metabolism and pharmacokinetics: Current trends and future perspectives

Drug Metabolism and Pharmacokinetics (DMPK) is a core scientific discipline within drug discovery and development as well as post‐marketing. It helps to design and select the most promising drug candidate and obtain advanced insights on the processes that control absorption, distribution, metabolism and excretion (ADME) of the final drug candidate. Mass spectrometry is one of the key technologies applied in DMPK. Therefore, the continuous advances made in the field of mass spectrometry also directly impact the way in which we investigate the ADME properties of a compound, providing us with new tools to gather more information or improve our efficiency. An overview will be given of some important current trends and future perspectives in the field.     

Synthesis and photophysical properties of α,ω-bis(terpyridine)oligothiophenes

Four novel fully π-conjugated α,ω-bis(terpyridine)oligothiophenes characterized by NMR, IR, and HR-mass spectroscopy are presented and their electronic absorption/emission and redox properties are described based on both experiments and theoretical calculations. These compounds can be potentially utilized as building blocks for preparation of conjugated metallo-supramolecular polymers or dynamers and related functional materials.