Washington State University Tri-Cities

Valence correlation consistent and augmented correlation consistent basis sets have been determined for the third row, main group atoms gallium through krypton. The methodology, originally developed for the first row atoms, was first applied to the selenium atom, resulting in the expected natural groupings of correlation functions (although higher angular momentum functions tend to be relatively more important for the third row atoms as they were for the second row atoms). After testing the generality of the conclusions for the gallium atom, the procedure was used to generate correlation consistent basis sets for all of the atoms gallium through krypton. The correlation consistent basis sets for the third row main group atoms are as follows: cc-pVDZ: (14s11p6d)/[5s4p2d]; cc-pVTZ: (20s13p9d1f )/[6s5p3d1f]; cc-pVQZ: (21s16p12d2 f1g)/[7s6p4d2 f1g]; cc-pV5Z: (26s17p13d3f2g1h)/[8s7p5d3f2g1h]. Augmented sets were obtained by adding diffuse functions to the above sets (one for each angular momentum present in the set), with the exponents of the additional functions optimized in calculations on the atomic anions. Test calculations on the atoms as well as selected molecules with the new basis sets show good convergence to an apparent complete basis set limit.

The authors examined conditions under which teams' educational specialization heterogeneity was positively related to team creativity. Using a sample of 75 research and development teams, the authors theorized and found that transformational leadership and educational specialization heterogeneity interacted to affect team creativity in such a way that when transformational leadership was high, teams with greater educational specialization heterogeneity exhibited greater team creativity. In addition, teams' creative efficacy mediated this moderated relationship among educational specialization heterogeneity, transformational leadership, and team creativity. The authors discuss the implications of these results for research and practice.

The authors develop guidelines to assist managers in selecting or modifying logos to achieve their corporate image goals. An empirical analysis of 195 logos, calibrated on 13 design characteristics, identified logos that meet high-recognition, low-investment, and high-image communication objectives. High-recognition logos (accurate recognition created by high investment) should be very natural, very harmonious, and moderately elaborate. Low-investment logos (false sense of knowing and positive affect) should be less natural and very harmonious. High image logos (professional look and strong positive image) must be moderately elaborate and natural. The authors illustrate the guidelines with real logos.

Experimental and computational simulations revealed that boron clusters, which favor planar (2D) structures up to 18 atoms, prefer 3D structures beginning at 20 atoms. Using global optimization methods, we found that the B 20 neutral cluster has a double-ring tubular structure with a diameter of 5.2 Å. For the \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \setlength{\oddsidemargin}{-69pt} \begin{document} \begin{equation*}{\mathrm{B}}_{20}^{-}\end{equation*}\end{document} anion, the tubular structure is shown to be isoenergetic to 2D structures, which were observed and confirmed by photoelectron spectroscopy. The 2D-to-3D structural transition observed at B 20 , reminiscent of the ring-to-fullerene transition at C 20 in carbon clusters, suggests it may be considered as the embryo of the thinnest single-walled boron nanotubes.

To study the characteristics of molecular damage induced by ionizing radiation at the DNA level, Monte Carlo track simulation of energetic electrons and ions in liquid water, a canonical model of B-DNA, and a comprehensive classification of DNA damage in terms of the origin and complexity of damage were used to calculate the frequencies of simple and complex strand breaks. A threshold energy of 17.5 eV was used to model the damage by direct energy deposition, and a probability of 0.13 was applied to model the induction of a single-strand break produced in DNA by OH radical reactions. For preliminary estimates, base damage was assumed to be induced by the same direct energy threshold deposition or by the reaction of an OH radical with the base, with a probability of 0.8. Computational data are given on the complexity of damage, including base damage by electrons with energies of 100-4500 eV and ions with energies of 0.3-4.0 MeV/nucleon (59-9 keV microm(-1) protons and 170-55 keV microm(-1) alpha particles). Computational data are presented on the frequencies of single- and double-strand breaks induced as a function of the LET of the particles, and on the relative frequencies of complex single- and double-strand breaks for electrons. The modeling and calculations of strand breaks show that: (1) The yield of strand breaks per unit absorbed dose is nearly constant over a wide range of LET. (2) The majority of DNA damage is of a simple type, but the majority of the simple single-strand breaks are accompanied by at least one base damage. (3) For low-energy electrons, nearly 20-30% of the double-strand breaks are of a complex type by virtue of additional breaks. The proportion of this locally clustered damage increases with LET, reaching about 70% for the highest-LET alpha particles modeled, with the complexity of damage increasing further, to about 90%, when base damage is considered. (4) The extent of damage in the local hit region of the DNA duplex is mostly limited to a length of a few base pairs. (5) The frequency of base damage when no strand breaks are present in the hit segment of DNA varies between 20-40% as a function of LET for protons and alpha particles.

Transforming plant biomass to biofuel is one of the few solutions that can truly sustain mankind's long-term needs for liquid transportation fuel with minimized environmental impact. However, despite decades of effort, commercial development of biomass-to-biofuel conversion processes is still not an economically viable proposition. Identifying value-added co-products along with the production of biofuel provides a key solution to overcoming this economic barrier. Lignin is the second most abundant component next to cellulose in almost all plant biomass; the emerging biomass refinery industry will inevitably generate an enormous amount of lignin. Development of selective biorefinery lignin-to-bioproducts conversion processes will play a pivotal role in significantly improving the economic feasibility and sustainability of biofuel production from renewable biomass. The urgency and importance of this endeavor has been increasingly recognized in the last few years. This paper reviews state-of-the-art oxidative lignin depolymerization chemistries employed in the papermaking process and oxidative catalysts that can be applied to biorefinery lignin to produce platform chemicals including phenolic compounds, dicarboxylic acids, and quinones in high selectivity and yield. The potential synergies of integrating new catalysts with commercial delignification chemistries are discussed. We hope the information will build on the existing body of knowledge to provide new insights towards developing practical and commercially viable lignin conversion technologies, enabling sustainable biofuel production from lignocellulosic biomass to be competitive with fossil fuel.

The ability to control ion temperatures is critical for gas phase spectroscopy and has been a challenge in chemical physics. A low-temperature photoelectron spectroscopy instrument has been developed for the investigation of complex anions in the gas phase, including multiply charged anions, solvated species, and biological molecules. The new apparatus consists of an electrospray ionization source, a three dimensional (3D) Paul trap for ion accumulation and cooling, a time-of-flight mass spectrometer, and a magnetic-bottle photoelectron analyzer. A key feature of the new instrument is the capability to cool and tune ion temperatures from 10 to 350 K in the 3D Paul trap, which is attached to the cold head of a closed cycle helium refrigerator. Ion cooling is accomplished in the Paul trap via collisions with a background gas and has been demonstrated by observation of complete elimination of vibrational hot bands in photoelectron spectra of various anions ranging from small molecules to complex species. Further evidence of ion cooling is shown by the observation of H2-physisorbed anions at low temperatures. Cold anions result in better resolved photoelectron spectra due to the elimination of vibrational hot bands and yield more accurate energetic and spectroscopic information. Temperature-dependent studies are made possible for weakly bonded molecular and solvated clusters, allowing thermodynamic information to be obtained.

Cell growth, differentiation and death are directed in large part by extracellular signaling through the interactions of cells with other cells and with the extracellular matrix; these interactions are in turn modulated by cytokines and growth factors, i.e. the microenvironment. Here we discuss the idea that extracellular signaling integrates multicellular damage responses that are important deterrents to the development of cancer through mechanisms that eliminate abnormal cells and inhibit neoplastic behavior. As an example, we discuss the action of transforming growth factor beta (TGFB1) as an extracellular sensor of damage. We propose that radiation-induced bystander effects and genomic instability are, respectively, positive and negative manifestations of this homeostatic process. Bystander effects exhibited predominantly after a low-dose or a nonhomogeneous radiation exposure are extracellular signaling pathways that modulate cellular repair and death programs. Persistent disruption of extracellular signaling after exposure to relatively high doses of ionizing radiation may lead to the accumulation of aberrant cells that are genomically unstable. Understanding radiation effects in terms of coordinated multicellular responses that affect decisions regarding the fate of a cell may necessitate re-evaluation of radiation dose and risk concepts and provide avenues for intervention.

Abstract Illustrative of world-wide trends, New Zealand has undergone drastic product and labour market reforms in an attempt to stimulate economic growth and national competitiveness. Towards this goal, firms have been urged to emphasize differentiation strategies in their approach to their markets and also to become more progressive in their management of human resources. This study finds that whereas more intensive use of high involvement work practices promotes firm effectiveness, this effect depends on the competitive strategy being pursued. The use of high involvement work practices is positively associated with performance in firms competing on the basis of differentiation and shows no relationship in firms pursuing a strategy of cost leadership. Keywords: Human Resource ManagementStrategyPerformance

Three-dimensional printing (3DP) has attracted a considerable amount of attention during the past years, being globally recognized as one of the most promising and revolutionary manufacturing technologies. Although the field is rapidly evolving with significant technological advancements, materials research remains a spotlight of interest, essential for the future developments of 3DP. Smart polymers and nanocomposites, which respond to external stimuli by changing their properties and structure, represent an important group of materials that hold a great promise for the fabrication of sensors, actuators, robots, electronics, and medical devices. The interest in exploring functional materials and their 3DP is constantly growing in an attempt to meet the ever-increasing manufacturing demand of complex functional platforms in an efficient manner. In this review, we aim to outline the recent advances in the science and engineering of functional polymers and nanocomposites for 3DP technologies. The report covers temperature-responsive polymers, polymers and nanocomposites with electromagnetic, piezoresistive and piezoelectric behaviors, self-healing polymers, light- and pH-responsive materials, and mechanochromic polymers. The main objective is to link the performance and functionalities to the fundamental properties, chemistry, and physics of the materials, and to the process-driven characteristics, in an attempt to provide a multidisciplinary image and a deeper understanding of the topic. The challenges and opportunities for future research are also discussed.

Lignin is the most abundant aromatic biopolymer in the biosphere and it comprises up to 30% of plant biomass. Although lignin is the most recalcitrant component of the plant cell wall, still there are microorganisms able to decompose it or degrade it. Fungi are recognized as the most widely used microbes for lignin degradation. However, bacteria have also been known to be able to utilize lignin as a carbon or energy source. Bacillus ligniniphilus L1 was selected in this study due to its capability to utilize alkaline lignin as a single carbon or energy source and its excellent ability to survive in extreme environments. To investigate the aromatic metabolites of strain L1 decomposing alkaline lignin, GC–MS analysis was performed and fifteen single phenol ring aromatic compounds were identified. The dominant absorption peak included phenylacetic acid, 4-hydroxy-benzoicacid, and vanillic acid with the highest proportion of metabolites resulting in 42%. Comparison proteomic analysis was carried out for further study showed that approximately 1447 kinds of proteins were produced, 141 of which were at least twofold up-regulated with alkaline lignin as the single carbon source. The up-regulated proteins contents different categories in the biological functions of protein including lignin degradation, ABC transport system, environmental response factors, protein synthesis, assembly, etc. GC–MS analysis showed that alkaline lignin degradation of strain L1 produced 15 kinds of aromatic compounds. Comparison proteomic data and metabolic analysis showed that to ensure the degradation of lignin and growth of strain L1, multiple aspects of cells metabolism including transporter, environmental response factors, and protein synthesis were enhanced. Based on genome and proteomic analysis, at least four kinds of lignin degradation pathway might be present in strain L1, including a Gentisate pathway, the benzoic acid pathway and the β-ketoadipate pathway. The study provides an important basis for lignin degradation by bacteria.

During application of agrochemicals spray droplets can drift beyond the intended target to non-target receptors, including water, plants and animals. Factors affecting this spray drift include mode of application, droplet size, which can be modified by the nozzle types, formulation adjuvants, wind direction, wind speed, air stability, relative humidity, temperature and height of released spray relative to the crop canopy. The rate of fall of spray droplets depends upon the size of the droplets but is modified by entrainment in a mobile air mass and is also influenced by the rate of evaporation of the liquid constituting the aerosol. The longer the aerosol remains in the air before falling to the ground (or alternatively striking an object above ground) the greater the opportunity for it to be carried away from its intended target. In general, all size classes of droplets are capable of movement off target, but the smallest are likely to move the farthest before depositing on the ground or a non-target receptor. It is not possible to avoid spray drift completely but it can be minimized by using best-management practices. These include using appropriate nozzle types, shields, spray pressure, volumes per area sprayed, tractor speed and only spraying when climatic conditions are suitable. Field layout can also influence spray drift, whilst crop-free and spray-free buffer zones and windbreak crops can also have a mitigating effect. Various models are available to estimate the environmental exposure from spray drift at the time of application.

This Forum provides a range of voices on the Language Gap, as our aim is to shed light on the need for more critical dialogue to accompany the proliferation of political initiatives, policymaking, educational programs, and media coverage. We highlight some relevant background on the Language Gap and describe some of the research used to support the concept. The diverse slate of Forum contributions that we have assembled approach the Language Gap topic from a range of linguistic anthropological perspectives—theoretical, empirical, political, ethnographic, personal, and experiential. Based on an acknowledgment of the need to improve educational access for economically and culturally diverse students, the subsequent discussions provide a range of perspectives designed to move away from denouncing and altering home language skills as a panacea for academic woes and social inequity. Linguistic anthropology's focus on language learning ecologies, and the sophistication therein, provides a novel perspective on the Language Gap. The contributions included below problematize existing ideologies, demonstrate the wealth of resources within various communities, and propose new directions for school practices and policymaking in an effort to bridge the “language gap” toward a more inclusive and discerning view of linguistic practices across diverse groups. Video Abstract

The authors develop guidelines to assist managers in selecting or modifying logos to achieve their corporate image goals. An empirical analysis of 195 logos, calibrated on 13 design characteristics, identified logos that meet high-recognition, low-investment, and high-image communication objectives. High-recognition logos (accurate recognition created by high investment) should be very natural, very harmonious, and moderately elaborate. Low-investment logos (false sense of knowing and positive affect) should be less natural and very harmonious. High image logos (professional look and strong positive image) must be moderately elaborate and natural. The authors illustrate the guidelines with real logos.

Among scholarly researchers, the Utrecht Work Engagement Scale (UWES) is a popular scale for assessing employee or work engagement. However, challenges to the scale's validity have raised major concerns about the measurement and conceptualization of engagement as a construct. Across 4 field samples, we examined 2 measures of engagement, the UWES and the Job Engagement Scale (JES), in both factor structure and patterns of relationships with theoretically hypothesized antecedents and consequences. In a fifth field sample, we examined the construct-level relationships between engagement and related variables, while controlling for sources of measurement error (i.e., item-specific factor, scale-specific factor, random response, and transient). By examining 2 measures, each derived from different theoretical bases, we provide unique insight into the measurement and construct of engagement. Our results show that, although correlated, the JES and UWES are not interchangeable. The UWES, more so than the JES, assesses engagement with overlap from other job attitudes, requiring improvement in the measurement of engagement. We offer guidance as to when to use each measure. Furthermore, by isolating the construct versus measurement of engagement relative to burnout, commitment, stress, and psychological meaningfulness and availability, we determined (a) the engagement construct is not the same as the opposite of burnout, warranting a reevaluation of the opposite-of-burnout conceptualization of engagement; and (b) psychological meaningfulness and engagement are highly correlated and likely reciprocally related, necessitating a modification to the self-role-expression conceptualization of engagement. (PsycINFO Database Record

Abstract Production of hydrocarbon fuel from biomass‐derived lignin sources with current vision of biorefinery infrastructure would significantly improve the total carbon use in biomass and make biomass conversion more economically viable. Thus, developing specialty and commodity products from biomass derived‐lignin has been an important industrial and scientific endeavor for several decades. However, deconstruction of lignin's complex polymeric framework into low molecular weight reactive moieties amenable for deoxygenation and subsequent processing into hydrocarbons has proven challenging. This review offers a comprehensive outlook on the existing body of work that has been devoted to catalytic processing of lignin derivatives into hydrocarbon fuels, focusing on: (i) the intrinsic complexity and characteristic structural features of biomass‐derived lignin; (ii) existing processing technologies for the isolation and depolymerization of bulk lignin (including detailed mechanistic considerations); (iii) approaches aimed at significantly improving the yields of depolymerized lignin species amenable to catalytic upgrading; and (iv) catalytic upgrading, using aqueous phase processes for transforming depolymerized lignin to hydrocarbon derivatives. Technical barriers and challenges to the valorization of lignin are highlighted throughout. The central goal of this review is to present an array of strategies that have been reported to obtain lignin, deconstruct it to reactive intermediates, and reduce its substantial oxygen content to yield hydrocarbon liquids. In this regard, reaction networks with reference to studies of lignin model compounds are exclusively surveyed. Special attention is paid to catalytic hydrodeoxygenation, hydrogenolyis, and hydrogenation. Finally, this review addresses important features of lignin that are vital to economic success of hydrocarbon production. Published in 2013 by John Wiley & Sons, Ltd

Abstract In this study, we propose that the ability to recycle may lead to increased resource usage compared to when a recycling option is not available. Supporting this hypothesis, our first experiment shows that consumers used more paper while evaluating a pair of scissors when the option to recycle was provided (vs. not provided). In a follow‐up field experiment, we find that the per person restroom paper hand towel usage increased after the introduction of a recycling bin compared to when a recycling option was not available. We conclude by discussing implications for research and policy.

Melt blending is one of the most promising techniques for eliminating poly(lactic acid)'s (PLA) numerous drawbacks. However, success in a typical melt blending process is usually achieved through the inclusion of high concentrations of a second polymeric phase which can compromise PLA's green nature. In a pioneering study, we introduce the production of in situ microfibrillar PLA/polyamide-6 (PA6) blends as a cost-effective and efficient technique for improving PLA's properties while minimizing the required PA6 content. Predominantly biobased products, with only 3 wt % of in situ generated PA6 microfibrils (diameter ≈200 nm), were shown to have dramatically improved crystallization kinetics, mechanical properties, melt elasticity and strength, and foaming-ability compared with PLA. Crucially, the microfibrillar blends were produced using an environmentally friendly and cost-effective process. Both of these qualities are essential in guarantying the viability of the proposed technique for overcoming the obstacles associated with the vast commercialization of PLA.

Abstract The synthesis of high‐efficiency and low‐cost catalysts for hydrodeoxygenation (HDO) of waste lignin to advanced biofuels is crucial for enhancing current biorefinery processes. Inexpensive transition metals, including Fe, Ni, Cu, and Zn, were severally co‐loaded with Ru on HY zeolite to form bimetallic and bifunctional catalysts. These catalysts were subsequently tested for HDO conversion of softwood lignin and several lignin model compounds. Results indicated that the inexpensive earth‐abundant metals could modulate the hydrogenolysis activity of Ru and decrease the yield of low‐molecular‐weight gaseous products. Among these catalysts, Ru‐Cu/HY showed the best HDO performance, affording the highest selectivity to hydrocarbon products. The improved catalytic performance of Ru‐Cu/HY was probably a result of the following three factors: (1) high total and strong acid sites, (2) good dispersion of metal species and limited segregation, and (3) high adsorption capacity for polar fractions, including hydroxyl groups and ether bonds. Moreover, all bifunctional catalysts proved to be superior over the combination catalysts of Ru/Al 2 O 3 and HY zeolite.

Different physisorption properties by 2D and 3D isomers of $\mathrm{Au}_{n}{}^{\ensuremath{-}}$ clusters are observed and used to probe the 2D to 3D structural transition. Strong Ar clustering occurs on planar $\mathrm{Au}_{n}{}^{\ensuremath{-}}$ and the planar faces of the pyramidal $\mathrm{Au}_{20}{}^{\ensuremath{-}}$. An abrupt change of Ar clustering at $\mathrm{Au}_{12}{}^{\ensuremath{-}}$ confirms the 2D to 3D structural transition at this size, where both isomers coexist. The minor 2D isomer can be titrated out by Ar to produce a clean $3\mathrm{D}\mathrm{\text{\ensuremath{-}}}\mathrm{Au}_{12}{}^{\ensuremath{-}}$ beam and beams of ${\mathrm{Au}}_{12}\mathrm{Ar}_{m}{}^{\ensuremath{-}}$ with enhanced 2D isomers. Using the Ar titration and tagging, isomer-specific photoelectron spectra for the 2D and 3D $\mathrm{Au}_{12}{}^{\ensuremath{-}}$ are obtained.