Substrate-mediated interactions and intermolecular forces between molecules adsorbed on surfaces

Adsorbate interactions and reactions on metal surfaces have been investigated using scanning tunneling microscopy. The manners in which adsorbates perturb the surface electronic structure in their vicinity are discussed. The effects these perturbations have on other molecules are shown to be important in overlayer growth. Interactions of molecules with surface steps are addressed, and each molecule's electron affinity is shown to dictate its adsorption sites at step edges. Standing waves emanating from steps are demonstrated to effect transient molecular adsorption up to 40 A away from the step edge. Halobenzene derivatives are used to demonstrate how the surface is important in aligning reactive intermediates.     

Some novel polymer-supported optically active phase transfer catalysts: 2. Use in displacement,reduction, epoxidation and addition reactions

The performance of 27 novel polymer-supported chiral phase transfer catalysts in a range of phase separated reactions has been studied. The later include a number of displacement reactions, sodium borohydride reductions of prochiral ketones, the epoxidation of chalcone, the addition of nitromethane to chalcone and the addition of thiophenol to cyclohexenone. Some of the reactions were performed under liquid/liquid conditions and others using solid/liquid. No systematic difference emerged between these. In general many of the catalysts provided fast reactions and good chemical yields of products. However, in no case was any significant enantiomeric excess achieved. The latter observation is discussed in the light of the reported behaviour of analogous non-supported catalytic systems, and suggestions proposed to explain these differences.     

Effect of Composition on the Electromechanical Properties of (1-x)Pb(Mg1/3Nb2/3)O3−XPbTiO3 Ceramics

Ceramic lead magnesium niobate–lead titanate ((1-x)PMN_-xPT) of different compositions has been prepared by the columbite precursor method. This study discusses compositions ranging from 0.94PMN–0.06PT to 0.60PM–N0.40PT, focusing on two areas of the (1-x)PMN_xPT system: compositions that exhibit electrostrictive behavior, and those that show piezoelectric behavior. In electrostrictive compositions where x is in the range of 0.06–0.20, the dielectric constant and electromechanical coupling factor dependencies on the bias field are evaluated. The optimal electromechanical properties are obtained with the composition 0.82PMN–0.18PT, measured at temperature T = T_m (the temperature of maximum dielectric constant) = 80°C and with a dc bias of 5 kV/cm. X–ray diffractometry is used to show that the (1-x)PMN_-xPT system has a compositionally wide two–phase region and that 0.655PMN–0.345PT is the morphotropic phase boundary (MPB) composition. Electromechanical property evaluation shows that the optimal piezoelectric properties (piezoelectric charge coefficient ( d₃₃ ) value of 720 pC/N, dielectric constant ( K ) value of 5400, and electromechanical planar and thickness coupling coefficient ( k_p and k_t , respectively) values of 62% and 46%, respectively) are obtained at the MPB composition.     

Synthesis of Organotin Polyamine Ethers Containing Acyclovir and their Preliminary Anticancer and Antiviral Activity

Organotin polyamine ethers containing acyclovir in their backbone were synthesized in moderate to high yield employing the aqueous interfacial polycondensation system. The products are high molecular weight polymers. Infrared spectroscopy of the products shows new bands characteristic of the formation of Sn–N and Sn–O bonds consistent with the proposed structure. MALDI-TOF MS below 2000 Da shows the presence of organotin and acyclovir units containing these two moieties. The products show moderate inhibition of a number of cancer cell lines and exhibit the ability to inhibit a number of viruses, particularly the herpes simplex virus-1 and varicella zoster virus that are responsible for herpes, chicken pox and shingles.     

The Effects of Power Law Fluid Rheology on Coil Heat Transfer for Agitated Vessel in the Transitional Flow Regime

A CFD model of heat transfer from power‐law fluids to helical cooling coils in the transitional flow regime of a baffled tank mixed with a pitched blade turbine was developed with Fluent^TM. The model captured local temperature and velocity gradients. Simulations were run, varying Re, Pr, K and n. The results indicate that a Sieder‐Tate type correlation, with the exponent on and the coefficient in front of the Reynolds number being a function of n, is recommended for estimating ho. Also, a new two coil bank design was found to be more efficient when 450 < Re < 650.     

Talking with some directors of the U.S. national laboratories

JOM surveyed the leaders of the U.S. Department of Energy’s (DOE) national laboratories for perspectives on some of the U.S. science and engineering community’s most pressing issues regarding R&D, globalization, national security, and budget constraints. The journal posed the same five questions to each lab director. What follows are responses from six of the directors: Michael R. Anastasio, Lawrence Livermore National Laboratory; Dan Arvizu, National Renewable Energy Laboratory (NREL); John J. Grossenbacher, Idaho National Laboratory (INL); Thomas O. Hunter, Sandia National Laboratories; Robert Rosner, Argonne National Laboratory; and Jeffrey Wadsworth, Oak Ridge National Laboratory (ORNL). Kelly Roncone is news editor for JOM.     

Driving a Wedge Between Evidence and Beliefs: How Online Ideological News Exposure Promotes Political Misperceptions

This article has 2 goals: to provide additional evidence that exposure to ideological online news media contributes to political misperceptions, and to test 3 forms this media‐effect might take. Analyses are based on representative survey data collected during the 2012 U.S. presidential election (N = 1,004). Panel data offer persuasive evidence that biased news site use promotes inaccurate beliefs, while cross‐sectional data provide insight into the nature of these effects. There is no evidence that exposure to ideological media reduces awareness of politically unfavorable evidence, though in some circumstances biased media do promote misunderstandings of it. The strongest and most consistent influence of ideological media exposure is to encourage inaccurate beliefs regardless of what consumers know of the evidence.     

A Review of Element-Based Galerkin Methods for Numerical Weather Prediction: Finite Elements,Spectral Elements,and Discontinuous Galerkin

Numerical weather prediction (NWP) is in a period of transition. As resolutions increase, global models are moving towards fully nonhydrostatic dynamical cores, with the local and global models using the same governing equations; therefore we have reached a point where it will be necessary to use a single model for both applications. The new dynamical cores at the heart of these unified models are designed to scale efficiently on clusters with hundreds of thousands or even millions of CPU cores and GPUs. Operational and research NWP codes currently use a wide range of numerical methods: finite differences, spectral transform, finite volumes and, increasingly, finite/spectral elements and discontinuous Galerkin, which constitute element-based Galerkin (EBG) methods. Due to their important role in this transition, will EBGs be the dominant power behind NWP in the next 10 years, or will they just be one of many methods to choose from? One decade after the review of numerical methods for atmospheric modeling by Steppeler et al. (Meteorol Atmos Phys 82:287–301, 2003), this review discusses EBG methods as a viable numerical approach for the next-generation NWP models. One well-known weakness of EBG methods is the generation of unphysical oscillations in advection-dominated flows; special attention is hence devoted to dissipation-based stabilization methods. Since EBGs are geometrically flexible and allow both conforming and non-conforming meshes, as well as grid adaptivity, this review is concluded with a short overview of how mesh generation and dynamic mesh refinement are becoming as important for atmospheric modeling as they have been for engineering applications for many years.     

Comparing Public Perceptions of Alternative Water Sources for Potable Use: The Case of Rainwater,Stormwater, Desalinated Water,and Recycled Water

This research investigated how people’s perceptions of alternative water sources compare with their perceptions of other technologies, and identified significant predictors of comfort with different alternative water sources. We drew on data from four questionnaire survey studies with a total sample of more than 1200 Australian participants. Relative levels of comfort with the alternative water sources was consistent across the four studies: comfort was always highest for drinking rainwater and lowest for drinking recycled water, with comfort with drinking treated stormwater and desalinated water sitting between these two. Although comfort with drinking recycled water was always lowest of the four alternative water sources, participants were significantly more comfortable with drinking recycled water than they were with nuclear energy, or with using genetically modified plants and animals for food. In general, demographic variables were less important predictors of comfort with alternative water sources than were psychological variables; only age and gender emerged as relatively consistent predictors for recycled water, stormwater, and desalinated water, with older participants and males more comfortable with drinking these water sources. Of the psychological variables, participants’ comfort with technology in general, trust in science and trust in government emerged consistently as significant positive predictors of comfort with drinking recycled water, stormwater, and desalinated water.

     

How In-Home Technologies Mediate Caregiving Relationships in Later Life

In-home technologies can support older adults' activities of daily living, provide physical safety and security, and connect elders to family and friends. They facilitate aging in place while reducing caregiver burden. One of older adults' primary concerns about in-home technologies is their potential to reduce human contact, particularly from cherished caregivers. In this exploratory in situ study, we provided an ecosystem of networked monitoring technologies to six older adults and their caregivers. We analyzed the amount and content of communication between them. The amount of noncomputer-mediated communication did not decrease through the 6-week study. The content of communication coalesced into four themes: communication about the technologies, communication facilitated by technologies, intrusiveness of technologies, and fun and playfulness with the technologies. Results suggest that in-home technologies, designed with sensitivity to older adults' primary motivations, have the potential to shape and tailor important relationships in later life.