Corrosion inhibition of stainless steel by polyaniline,poly(2-chloroaniline), and poly(aniline-co-2-chloroaniline) in HCl

Polyaniline (PANi), poly(2-chloroaniline) (PClANi), and poly(aniline-co-2-chloroaniline) (co-PClANi) films were synthesized by electrochemical deposition on 304-stainless steel (SS) from an acetonitrile solution. The structural properties of these polymer films were characterized by spectroscopic (FTIR and UV–vis) and electrochemical (cyclic voltammetry) methods. Open circuit potential–time (E_ocp–time) curves, potentiodynamic polarization, and electrochemical impedance (EIS) measurements showed that these films have significant protective performance against corrosion of SS in 0.5 M HCl solution. It was found that co-PClANi film has acted as a passivator as well as barrier for cathodic reduction reaction in a similar manner as PANi film. However, PClANi film has behaved only as barrier for corrosion protection of SS in 0.5 M HCl.     

Sparse Non-negative Stencils for Anisotropic Diffusion

We introduce a new discretization scheme for Anisotropic Diffusion, AD-LBR, on two and three dimensional Cartesian grids. The main features of this scheme is that it is non-negative and has sparse stencils, of cardinality bounded by 6 in 2D, by 12 in 3D, despite allowing diffusion tensors of arbitrary anisotropy. The radius of these stencils is not a-priori bounded however, and can be quite large for pronounced anisotropies. Our scheme also has good spectral properties, which permits larger time steps and avoids e.g. chessboard artifacts. AD-LBR relies on Lattice Basis Reduction, a tool from discrete mathematics which has recently shown its relevance for the discretization on grids of strongly anisotropic Partial Differential Equations (Mirebeau in Preprint, 2012). We prove that AD-LBR is in 2D asymptotically equivalent to a finite element discretization on an anisotropic Delaunay triangulation, a procedure more involved and computationally expensive. Our scheme thus benefits from the theoretical guarantees of this procedure, for a fraction of its cost. Numerical experiments in 2D and 3D illustrate our results.     

Prediction of suspended sediment concentration from water quality variables

This study investigates use of water quality (WQ) variables, namely total chromium concentration, total iron concentration, and turbidity for predicting suspended sediment concentration (SSC). For this purpose, the artificial neural networks (ANNs) and regression analysis (RA) models are employed. Seven different RA models are constructed, considering the functional relation between measured WQ variables and SSC. The WQ and SSC data are fortnightly obtained from six monitoring stations, located on the stream Harsit, Eastern Black Sea Basin, Turkey. A total of 132 water samples are collected from April 2009 to February 2010. Model prediction results reveal that ANN is able to predict SSC from WQ data, with mean absolute error (MAE) of 10.30 mg/L and root mean square error (RMSE) of 13.06 mg/L. Among seven RA models, the best one, which has the form including all independent parameters, produces results comparable to those of ANN, with MAE = 14.28 mg/L and RMSE = 15.35 mg/L. The sensitivity analysis results reveal that the most effective parameter on the SSC is total chromium concentration. These results have time- and cost-saving implications.     

Selective catalytic transformations of methanol to C2-C3 hydrocarbons over the new zeolite type LZ 132

The small pore zeolite HLZ 132 exhibits, in comparison with other zeolites, an increased selectivity for the transformation of methanol to ethylene in the reaction temperature range 350–500 °C: the weight ratio of C₂H₄ to C₃H₆ in the products ranges between 1 and 4 at WHSV=2 h^–1. Besides the effect of the reactant shape selectivity this fact may be interpreted by the participation of the asymmetrical methoxy groups in the surface as well as by proton-donor centres of lower acidity which do not catalyze the oligomerization of ethylene but which do the more basic molecule of propylene, thereby generating polyene-type coke.     

Structure and dynamics of a pentablock copolymer of polystyrene-polybutadiene in a butadiene-selective solvent

We have examined solutions of a polystyrene-polybutadiene pentablock copolymer in n-heptane, a strongly selective solvent for polybutadiene. Small angle neutron scattering from 7 to 15% samples reveals domains about 10 nm in radius formed by the association of 200 polystyrene blocks. Dynamic light scattering measurements on 8 and 9% samples showed three modes: a fast diffusive mode related to the collective diffusion in semidilute solutions/gels; a relaxational mode related to the local dynamics of polystyrene domains trapped in the gel formed by bridging the domains with the polybutadiene chains; and a very slow diffusive mode. The relaxational dynamics persisted over the entire temperature range, becoming faster with increasing temperature, indicating a decreased microviscosity at higher temperatures. The slow dynamics seems to be connected with heterogeneities in the physical gel due to microsyneresis and almost disappeared above 50 °C. Macroscopic phase separation into two liquid phases was observed in a dilute solution of the un-associated copolymer, and into a liquid and gel phase at higher concentrations. The absence of flower-like micelles in dilute solutions and the macroscopic phase seperation suggest that the gels in the pentablock are formed by random association of multiplet domains and not by bridging of micellar domains.     

A new combined computational and NMR-spectroscopical strategy for the identification of additional conformational constraints of the bound ligand in an aprotic solvent

This study documents the feasibility of switching to an aprotic medium in sugar receptor research. The solvent change offers additional insights into mechanistic details of receptor--carbohydrate ligand interactions. If a receptor retained binding capacity in an aprotic medium, solvent-exchangeable protons of the ligand would not undergo transfer and could act as additional sensors, thus improving the level of reliability in conformational analysis. To probe this possibility, we first focused on hevein, the smallest lectin found in nature. The NMR-spectroscopic measurements verified complexation, albeit with progressively reduced affinity by more than 1.5 orders of magnitude, in mixtures of up to 50% dimethyl sulfoxide (DMSO). Since hevein lacks the compact beta-strand arrangement of other sugar receptors, such a structural motif may confer enhanced resistance to solvent exchange. Two settings of solid-phase activity assays proved this assumption for three types of alpha- and/or beta-galactoside-binding proteins, that is, a human immunoglobulin G (IgG) subfraction, the mistletoe lectin, and a member of the galectin family of animal lectins. Computer-assisted calculations and NMR experiments also revealed no conspicuous impact of the solvent on the conformational properties of the tested ligands. To define all possible nuclear Overhauser effect (NOE) contacts in a certain conformation and to predict involvement of exchangeable protons, we established a new screening protocol applicable during a given molecular dynamics (MD) trajectory and calculated population densities of distinct contacts. Experimentally, transferred NOE (tr-NOE) experiments with IgG molecules and the disaccharide Gal'alpha1-3Galbeta1-R in DMSO as solvent disclosed that such an additional crosspeak, that is, Gal'OH2--GalOH4, was even detectable for the bound ligand under conditions in which spin diffusion effects are suppressed. Further measurements with the plant lectin and galectins confirmed line broadening of ligand signals and gave access to characteristic crosspeaks in the aprotic solvent and its mixtures with water. Our combined biochemical, computational, and NMR-spectroscopical strategy is expected to contribute notably to the precise elucidation of the geometry of ligands bound to compactly folded sugar receptors and of the role of water molecules in protein--ligand (carbohydrate) recognition, with relevance to areas beyond the glycosciences.     

Feedback control for multi-resource usage of virtualised database server

Virtualisation and cloud computing have recently received significant attention. Resource allocation and control of multiple resource usages among virtual machines in virtualised data centres remains an open problem. Therefore, in this paper, our focus is to control CPU (central processing unit) usage and memory consumption of a virtual database machine in a data centre under a time-varying heavy workload. In addition to existing work, we attempt to control multiple outputs, such as the CPU usage and memory consumption of a virtualised database server (DBVM), via changing multiple server parameters, such as the CPU allocation and memory allocation, in real time. We indicated that a virtualised database server might be modelled as a linear time-unvarying system. We obtained and compared both MIMO (multi input–multi output) and multiple SISO (single input–single output) models of that system. We designed multiple SISO feedback controllers to achieve desired CPU usages and memory consumptions under workload.     

Enhanced user performance in an image gallery application with a mobile autostereoscopic touch display

In this study, we explored how stereoscopic depth affects performance and user experience in a mobile device with an autostereoscopic touch display. Participants conducted a visual search task with an image gallery application on three layouts with different depth ranges. The task completion times were recorded, and the participants were asked to rate their experiences. The results revealed that the image search times were facilitated by a mild depth effect and that too great a depth slowed search times and decreased user-experience ratings.     

Heterogeneous asymmetric reactions. 23. Enantioselective hydrogenation of ethyl pyruvate over cinchonine- and α-isocinchonine-modified platinum catalysts

The enantioselective hydrogenation of ethyl pyruvate to (S)-ethyl lactate over cinchonine- and -isocinchonine-modified Pt/Al₂O₃ catalysts was studied as a function of modifier concentration and reaction temperature. The maximum enantioselectivities obtained under the applied mild conditions were 89% ee using cinchonine (0.014 mmoldm^–3, 1 bar H₂, 23°C, 6% AcOH in toluene), and 76% ee in the case of -isocinchonine (0.14 mmoldm^–3, 1 bar H₂, –10°C, 6% AcOH in toluene). Since -isocinchonine of rigid structure exists only in anti-open conformation these data provide additional experimental evidence to support the former suggestion concerning the dominating role of anti-open conformation in these cinchona-modified enantioselective hydrogenations.     

Effect of styrene–isopren–styrene addition on the recycled polycarbonate/acrylonitrile–butadiene–styrene polymer blends

Interfacial agents as compatibilizers have recently been introduced into polymer blends to improve microstructure and mechanical properties of thermoplastics. In this way, it is possible to prepare a mixture of polymeric materials that can have superior mechanical properties over a wide temperature range. In this study, an incompatible blend of Polycarbonate (PC) and Acrylonitrile Butadiene Styrene (ABS) Copolymer were made compatible by addition of 5, 10, and 20% Styrene–Isopren–Styrene Copolymer (SIS). The mixing operation was conducted using a twin‐screw extruder. The morphology and the compatibility of the mixtures were examined by SEM and DSC techniques. Furthermore, the elastic modulus, tensile and yield strengths, percentage elongation, hardness, melt flow index, Izod impact resistance, heat deflection temperature (HDT), Vicat softening point values of polymer alloys of various ratios were determined. It was found that addition of SIS to the structures decreased the tensile strength, yield strength, elastic modulus, and hardness, whereas it increased Izod impact strength and percentage elongation values. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 101: 559–566, 2006