Surface properties of self-assembled monolayer films of tetra-substituted cobalt, iron and manganese alkylthio phthalocyanine complexes

Self-assembled monolayer (SAM) films of iron (SAM-1), cobalt (SAM-2) and manganese (SAM-3) phthalocyanine complexes, tetra-substituted with diethylaminoethanethio at the non-peripheral positions, were formed on gold electrode in dimethylformamide (DMF). Electrochemical, impedimentary and surface properties of the SAM films were investigated. Cyclic voltammetry was used to investigate the electrochemical properties of the films. Ability of the films to inhibit common faradaic processes on bare gold surface (gold oxidation, solution redox chemistry of [Fe(H₂O)₆]³⁺/[Fe(H₂O)₆]²⁺ and underpotential deposition (UDP) of copper) was investigated. Electrochemical impedance spectroscopy (EIS), using [Fe(CN)₆]^3−/4− redox process as a probe, offered insights into the electrical properties of the films/electrode interfaces. Surface properties of the films were probed using atomic force microscopy (AFM) and scanning electron microscopy (SEM). The films were employed for the electrocatalytic oxidation of the pesticide, carbofuran. Electrocatalysis was evidenced from enhanced current signal and less positive oxidation potential of the pesticide on each film, relative to that observed on the bare gold electrode. Mechanism of electrocatalytic oxidation of the pesticide was studied using rotating disc electrode voltammetry.     

Structural Determinants of the Selectivity of 3‐Benzyluracil‐1‐acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10

The human enzymes aldose reductase (AR) and AKR1B10 have been thoroughly explored in terms of their roles in diabetes, inflammatory disorders, and cancer. In this study we identified two new lead compounds, 2‐(3‐(4‐chloro‐3‐nitrobenzyl)‐2,4‐dioxo‐3,4‐dihydropyrimidin‐1(2H)‐yl)acetic acid (JF0048, 3 ) and 2‐(2,4‐dioxo‐3‐(2,3,4,5‐tetrabromo‐6‐methoxybenzyl)‐3,4‐dihydropyrimidin‐1(2H)‐yl)acetic acid (JF0049, 4 ), which selectively target these enzymes. Although 3 and 4 share the 3‐benzyluracil‐1‐acetic acid scaffold, they have different substituents in their aryl moieties. Inhibition studies along with thermodynamic and structural characterizations of both enzymes revealed that the chloronitrobenzyl moiety of compound 3 can open the AR specificity pocket but not that of the AKR1B10 cognate. In contrast, the larger atoms at the ortho and/or meta positions of compound 4 prevent the AR specificity pocket from opening due to steric hindrance and provide a tighter fit to the AKR1B10 inhibitor binding pocket, probably enhanced by the displacement of a disordered water molecule trapped in a hydrophobic subpocket, creating an enthalpic signature. Furthermore, this selectivity also occurs in the cell, which enables the development of a more efficient drug design strategy: compound 3 prevents sorbitol accumulation in human retinal ARPE‐19 cells, whereas 4 stops proliferation in human lung cancer NCI‐H460 cells.     

An efficient finite element method for embedded interface problems

A stabilized finite element method based on the Nitsche technique for enforcing constraints leads to an efficient computational procedure for embedded interface problems. We consider cases in which the jump of a field across the interface is given, as well as cases in which the primary field on the interface is given. The finite element mesh need not be aligned with the interface geometry. We present closed‐form analytical expressions for interfacial stabilization terms and simple procedures for accurate flux evaluations. Representative numerical examples demonstrate the effectiveness of the proposed methodology. Copyright © 2008 John Wiley & Sons, Ltd.     

Multiple-scattering lidar retrieval method: tests on Monte Carlo simulations and comparisons with in situ measurements

A multiple-field-of-view (MFOV) lidar measurement and solution technique has been developed to exploit the retrievable particle extinction and size information contained in the multiple-scattering contributions to aerosol lidar returns. We describe the proposed solution algorithm. The primary retrieved parameters are the extinction coefficient at the lidar wavelength and the effective particle diameter from which secondary products such as the extinction at other wavelengths and the liquid-water content (LWC) of liquid-phase clouds can be derived. The solutions are compared with true values in a series of Monte Carlo simulations and with in-cloud measurements. Good agreement is obtained for the simulations. For the field experiment, the retrieved effective droplet diameter and LWC for the available seven cases studied are on average 15% and 35% (worst case) smaller than the measured data, respectively. In the latter case, the analysis shows that the differences cannot be attributed solely to lidar inversion errors. Despite the limited penetration depth (150-300 m) of the lidar pulses, the results of the studied cases indicate that the retrieved lidar solutions remain statistically representative of measurements performed over the full cloud extent. Long-term MFOV lidar monitoring could thus become a practical and economical option for cloud statistical studies but more experimentation on more varied cloud conditions, especially for LWC, is still needed.     

Fragment shaders for agent animation using finite state machines

In a previous paper we generated animated agents and their behavior using a combination of XML and images. The behavior of agents was specified as a finite state machine (FSM) in XML. We used images to determine properties of the world that agents react to. While this approach is very flexible, it can be made much faster by using the power available in modern GPUs. In this paper we implement FSMs as fragment shaders using three kinds of images: world space images, agent space images and FSM table images. We show a simple example and compare performance of CPU and GPU implementations. Then we examine a more complex example involving more maps and two types of agents (predator–prey). Furthermore we explore how to render agents in 3D more efficiently by using a variation on pseudoinstancing.     

Challenges and solutions for recruiting pregnant smokers into a nicotine replacement therapy trial.

Improvements in smoking cessation interventions for pregnant smokers are needed. One major step is to examine the potential effectiveness of nicotine replacement therapy (NRT). The potential benefits of providing pregnant women with NRT to help them quit smoking are still unknown; early interventions to test the effectiveness and efficacy are vital to advancing the field. This paper describes recruitment efforts for a multiclinic trial to test the effectiveness of NRT use in addition to behavioral therapy in promoting cessation during pregnancy. The biggest challenge is recruiting sufficient numbers of pregnant women. This paper discusses specific obstacles for recruitment and solutions. Knowing the potential pitfalls to recruiting pregnant women into these trials can lead to better studies and thus improved outcomes.     

Prospects for Bose-Einstein condensation in atomic hydrogen and other gases

Current experimental efforts to observe Bose-Einstein condensation in the laboratory are reviewed. New experiments in spin-polarized hydrogen at high density or very low temperatures offer promise of achieving this goal. The possibility of BEC in other elements, H₂,⁴He, and cesium are discussed.     

Synopses of some recent published studies of the design process and designer behaviour

This series of synopses first appeared as Appendix II in ‘Design decision making and recommendations for design aids’ a report commissioned by the British Building Research Establishment. It was felt that this special issue on Designing for Behaviour provided a unique opportunity to republish these extremely relevant summaries to reach a wider audience of interested and involved parties. These synopses might also reveal to environmental design human behaviour researchers some of the problems that designers have in incorporating findings in their design processes and may perhaps suggest ways in which research publications might overcome these barriers to the transfer of information.