Association patterns in (HF)(m)(H2O)(n) (m + n = 2-8) clusters

In an attempt to understand the phase behavior of aqueous hydrogen fluoride, the clustering in the mixture is investigated at the molecular level. The study is performed at the mPW1B95/6-31+G(d,p) level of theory. Several previous studies attempted to describe the dissociation of HF in water, but in this investigation, the focus is only on the association patterns that are present in this binary mixture. A total of 214 optimized geometries of (HF)n(H2O)m clusters, with m + n as high as 8, were investigated. For each cluster combination, several different conformations are investigated, and the preferred conformations are presented. Using multiple linear regressions, the average strengths of the four possible H-bonding interactions are obtained. The strongest H-bond interaction is reported to be the H2O...H-F interaction. The most probable distributions of mixed clusters as a function of composition are also deduced. It is found that the larger (HF)n(H2O)m clusters are favored both energetically and entropically compared to the ones that are of size m + n < or = 3. Also, the clusters with equimolar contributions of HF and H2O are found to have the strongest interactions.     

New O-Aryl-Carbamoyl-Oxymino-Fluorene Derivatives with MI-Crobicidal and Antibiofilm Activity Enhanced by Combination with Iron Oxide Nanoparticles

Antimicrobial resistance is one of the major public health threats at the global level, urging the search for new antimicrobial molecules. The fluorene nucleus is a component of different bioactive compounds, exhibiting diverse pharmacological actions. The present work describes the synthesis, chemical structure elucidation, and bioactivity of new O-aryl-carbamoyl-oxymino-fluorene derivatives and the contribution of iron oxide nanoparticles to enhance the desired biological activity. The antimicrobial activity assessed against three bacterial and fungal strains, in suspension and biofilm growth state, using a quantitative assay, revealed that the nature of substituents on the aryl moiety are determinant for both the spectrum and intensity of the inhibitory effect. The electron-withdrawing inductive effect of chlorine atoms enhanced the activity against planktonic and adhered Staphylococcus aureus, while the +I effect of the methyl group enhanced the anti-fungal activity against Candida albicans strain. The magnetite nanoparticles have substantially improved the antimicrobial activity of the new compounds against planktonic microorganisms. The obtained compounds, as well as the magnetic core@shell nanostructures loaded with these compounds have a promising potential for the development of novel antimicrobial strategies.     

Lu, Gd codoped KY(WO(4))(2):Yb epitaxial layers: towards integrated optics based on KY(WO(4))(2)

Codoping KY(WO(4))(2):Yb layers with optically inert Lu and Gd ions allows a large increase of the refractive index contrast with respect to KY(WO(4))(2) substrates. This paves the way for the realization of integrated optical circuits based on this very promising material. First riblike waveguide structures have been fabricated and propagation losses below 1 dB/cm have been evaluated. A Y-junction with a splitting ratio close to 1:1 and additional losses of 1.4 dB has also been demonstrated.     

250 µm long anodic TiO2 nanotubes with hexagonal self‐ordering

In this work we show that the growth of more than 250 µm thick self‐organized TiO₂ nanotube layers is possible, using an electrochemical approach in organic electrolytes. The tubes can grow as a hexagonal close packed pore array. Crucial parameters that decide on the dimensions are the fluoride ion concentration, the voltage and the anodization time. Self‐organized tube formation is restricted to a critical parameter range. Highest aspect ratio tubes can be achieved under a set of very optimized conditions. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

     

Polyphenols,radical scavenger activity,short-chain organic acids and heavy metals of several plants extracts from “Bucharest Delta”

Some plants collected (Mentha aquatica, Bidens tripartita and Ambrosia artemisiifolia) from an unusual habitat developed in recent years in Bucharest (the so-called “Bucharest Delta”) and the contents of polyphenolic compounds, short-chain organic acids and heavy metals, and radical scavenger activity, were determined. 12 polyphenolic compounds and 7 short-chain organic acids were quantified using high-performance liquid chromatography and capillary electrophoresis; Mentha aq. extracts presented the highest levels of rosmarinic acid (1.58 mg g^?1) and ferulic acid (2.84 mg g^?1) and Bidens extracts presented the highest concentrations of chlorogenic acid (0.44 mg g^?1); the same extracts contain the most important levels of luteolin (0.52 mg g^?1) or other flavonoids. All the heavy metals detected in the plants studied were found in very low levels (the highest was Pb(II) in Mentha aquatica, (12.84 ± 0.48) µg kg^?1). The study sought to identify the active compounds and some contaminants in plants collected from the “Bucharest Delta” with the intention of eventual exploitation of the habitat and to enhance the knowledge of such human-modified ecosystems.     

Influence of the nature of the chain breaker on the thermal stability of phthalic anhydride-based polyesters

This study presents the synthesis of polyesters obtained from phthalic anhydride as acidic components and one mixture of monoethylene glycol and monohydric alcohol (in ratio 1.1:0.15). Molar ratio of the acid component and alcohol component was 1:1.25. n-Propanol, n-butanol, n-octanol and isoamyl alcohol were used as monohydric alcohol. Physicochemical characterization was performed by elemental analysis, FTIR/UATR spectroscopy of polyesters and char, EGA (evolved gas analysis), thermal analysis in synthetic air and in nitrogen atmosphere.     

Validated HPLC-Fl Method for the Analysis of S-Adenosylmethionine and S-Adenosylhomocysteine Biomarkers in Human Blood

The natural methyl donor group, S-adenosylmethionine and its product, S-adenosylhomocysteine play an important role in many biochemical reactions involving transmethylation reactions. These compounds can be used as biomarkers in incipient diagnosis of various pathological disorders therefore the validation of a suitable method to routinely analysis of these compounds is very important. In this paper, a high performance liquid chromatrography method for S-adenosylmethionine and S-adenosylhomocysteine measurement as fluorescent 1,N ⁶-ethanoderivatives from biological samples was validated in terms of selectivity, linearity range of the response (R?>?0.9993), detection limit (9?×?10^?9 and 4.4?×?10^?9 molL^?1), the limit of quantitation (9.7?×?10^?9 and 5.7?×?10^?9?mol?L^?1), precision, trueness and robustness. The method for quantification simultaneous of these compounds is rapid, sensitive and precise and appropriate for clinical analysis.     

A quantitative analysis of a multi-phase polycrystalline cubic boron nitride tool material using DualEELS

This paper presents a quantitative analysis of a polycrystalline cubic boron nitride tool material by electron energy-loss spectroscopy spectrum imaging acquired in dual range mode. Having both the low-loss and core-loss regions acquired nearly simultaneously provides the advantage of accurate corrections for thickness effects and thus the possibility to perform quantification calculations. This has resulted in extracted bonding maps with areal (atoms/nm(2)) or volumetric (atoms/nm(3)) densities. Spectroscopic signatures in the low-loss and core-loss energy ranges, of the elements (Al, B, C, N, Ti and O) present in the existing phases, were studied and used when extracting the element specific bonding maps by the multiple linear least squares fitting procedure. Variations of elemental concentrations across the investigated area were determined, despite of phase overlap in the beam direction or energy overlaps in the EELS spectrum. Moreover, the surface oxidation of Ti(C,N) and AlN as well as the amorphisation of α-Al(2)O(3) is discussed.     

A rational design of the multiwalled carbon nanotube–7,7,8,8-tetracyanoquinodimethan sensor for sensitive detection of acetylcholinesterase inhibitors

A new, simple and effective amperometric acetylcholinesterase biosensor was developed using screen-printed carbon electrodes modified with carbon nanotubes (MWCNTs)–7,7,8,8-tetracyanoquinodimethane (TCNQ). The design of the biosensor was based on the supramolecular arrangement resulted from the interaction of MWCNTs and TCNQ. This arrangement was confirmed by spectroscopic and electrochemical techniques. Two different supramolecular arrangements were proposed based on different MWCNTs:TCNQ ratios. The synergistic effect of MWCNTs and TCNQ was, for the first time, exploited for detection of thiocholine at low potential with high sensitivity. The biosensor developed by immobilization of acetylcholinesterase (AChE) in sol–gel allowed the detection of two reference AChE inhibitors, paraoxon-methyl and chlorpyrifos with detection limits of 30 pM (7 ppt) and 0.4 nM (0.1 ppb), respectively. Efficient enzyme reactivation was obtained by using obidoxime.     

The Osofsky-Smith Theorem for Modular Lattices,and Applications (II)

This is the second part of the paper with the same title published in Communications in Algebra in 2011. It contains applications of the Latticial Osofsky–Smith Theorem to Grothendieck categories and module categories equipped with a torsion theory. Various many different meanings spread in the literature of the relative concepts with respect to a hereditary torsion theory τ on Mod-R like τ-essential submodule, τ-complement submodule, τ-CS module, etc. are also discussed.