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Sulfur remains in the spotlight as a future cathode candidate for the post-lithium-ion age. This is primarily due to its low cost and high discharge capacity, two critical requirements for any future cathode material that seeks to dominate the market of portable electronic devices, electric transportation, and electric-grid energy storage. However, before Li–S batteries replace lithium ion batteries, several technical challenges need to be solved. Among these challenges are polysulfide containment, the increase of sulfur loading (which must be ≥4–6 mg cm –2), the increase of sulfur fraction to ≥70%, the increase of sulfur utilization to ≥80%, the decrease of the electrolyte/sulfur weight ratio (which must be in the range of 3:1 or lower), and the stability of lithium anode material. Besides traditional carbon coating strategies, recent novel strategies addressing each of these challenges have been reported. The main purpose of this work is to review the state of the art and summarize and shed light on the...

Purpose The purpose of this paper is to fill a gap in the literature, by investigating the relationship between users’ perceptions of the value of the information that they are handling, and their resultant level of compliance with their organisation’s information security policies. In so doing, the authors seek to develop a theory of value-driven information security compliance. Design/methodology/approach An interpretive, grounded theory research approach has been adopted to generate a qualitative data set, based upon the results of 55 interviews with key informants from governmental agencies based within Brunei Darussalam, complemented by the results of seven focus groups. The interviews and focus groups were conducted in two phases, so that the results of the first phase could be used to inform the second phase data collection exercise, and the thematic analysis of the research data was conducted using the NVivo 11-Plus software. Findings The findings suggest that, when assigning value to their information, users take into account the views of members of their immediate work-group and the espoused views of their organisation, as well as a variety of contextual factors, relating to culture, ethics and education. Perhaps more importantly, it has been demonstrated that the users’ perception of information value has a marked impact upon their willingness to comply with security policies and protocols. Research limitations/implications Although the authors have been able to develop a rich model of information value and security compliance, the qualitative nature of this research means that it has not been tested, in the numerical sense. However, this study still has important implications for both research and practice. Specifically, researchers should consider users’ perceptions of information value, when conducting future studies of information security compliance. Practical implications Managers and practitioners will be better able to get their colleagues to comply with information security protocols, if they can take active steps to convince them that the information that they are handling is a valuable organisational resource, which needs to be protected. Originality/value The central contribution is a novel model of information security compliance that centre stages the role of the users’ perceptions of information value, as this is a factor which has been largely ignored in contemporary accounts of compliance behaviour. This study is also original, in that it fills a methodological gap, by balancing the voices of both user representatives and senior organisational stakeholders, in a single study.

The ability to predict crystal growth habits is an important component of drug design, enabling a targeted sweep of optimal growth conditions that confer desirable properties. This article presents an investigation into the shape of olanzapine crystals grown from various solvents, exemplifying how mechanistic models of spiral growth can be applied to small molecule therapeutics. Olanzapine is recognized as the most effective treatment for schizophrenia, but a mechanistic treatment of the underlying crystal growth has yet to be established. We model spiral growth of olanzapine form I from five solvents (acetone, ethyl acetate, toluene, methyl isobutyl ketone, and n-butyl acetate), considering a dimeric growth unit and periodic bond chains consisting of interdimer bonds. The centrosymmetric dimers are stabilized by multiple C–H···π contacts. The {1 0 0} face family dominates the predicted crystal habits, in agreement with our experiments; this morphology stems from the in-plane hydrogen bonds that are expos...

Crystal growth rates depend on the density of kink sites along step edges, ρ. The supersaturation-dependence of the kink density, ρ(S), is often ignored despite available nonequilibrium models for centrosymmetric crystals. The aim of this work is to derive ρ(S) from a rather simple one-dimensional nucleation framework in a manner that accounts for multiheight kinks. These become more prevalent at higher S and/or lower kink energies where the step front roughens (i.e., higher ρ). We arrive at a density of kinetic kinks that contribute to the step velocity and make comparisons with other models and simulations. Our model almost entirely eliminates systematic errors in predicted step velocities and crystal growth rates.

Desolvation barriers are present for solute-solvent exchange events, such as ligand binding to an enzyme active site, during protein folding, and at battery electrodes. For solution-grown crystals, desolvation at kink sites can be the rate-limiting step for growth. However, desolvation and the associated kinetic barriers are poorly understood. In this work, we use rare-event simulation techniques to investigate attachment/detachment events at kink sites of a NaCl crystal in water. We elucidate the desolvation mechanism and present an optimized reaction coordinate, which involves one solute collective variable and one solvent collective variable. The attachment/detachment pathways for Na+ and Cl- are qualitatively similar, with quantitative differences that we attribute to different ion sizes and solvent coordination. The attachment barriers primarily result from kink site desolvation, while detachment barriers largely result from breaking ion-crystal bonds. We compute ion detachment rates from kink sites and compare with results from an independent study. We anticipate that the reaction coordinate and desolvation mechanism identified in this work may be applicable to other alkali halides.

In this work, we show that the Continuous Flow Stirred Tank Reactor (CFSTR) Equivalence Principle, developed by Feinberg and Ellison,1 can be used to obtain practical upper bounds on reaction selectivity for any chemistry of interest. The CFSTR Equivalence Principle allows one to explore the attainable reaction region by decomposing any arbitrary, steady-state reactor-mixer-separator system with total reaction volume V > 0 into a new system comprising R + 1 CFSTRs (where R is the number of linearly independent chemical reactions) with the same total reaction volume and a perfect separator system. [1, 2] This work further refines the allowable selectivities by incorporating capacity constraints into the CFSTR Equivalence Principle to prevent arbitrarily large recycle streams between the CFSTRs and the separators and infinitesimally small CFSTR conversions. These constraints provide practical upper bounds on reaction selectivities of chemistries completely independent of reactor design. We present the methodology and the results for a selection of realistic chemistries. This article is protected by copyright. All rights reserved.

Over 80% of Atlantic Forest remnants are

Almost all molecules are non-centrosymmetric, which produces interaction anisotropy within a crystal lattice. This anisotropy generates multiple types of kink sites on each crystal step and repeating patterns of rows with different growth units from the perspective of the lattice interaction environment, even for pure molecular crystals. As a result, unstable edge rows may be generated that dissolve under conditions of crystal growth. A method to account for edge surface structures, considering such effects, is required to accurately model the step velocity, which is vital for a mechanistic description of crystal growth. We classify both thermodynamic and kinetic contributions to step row instability and develop expressions for kink densities and step velocities that capture these important non-centrosymmetric phenomena. To demonstrate the utility of our framework, we consider in depth the case of an alternating-row A–B step. Our mechanistic predictions compare favorably to kinetic Monte Carlo simulations...

Mechanistic modeling facilitates rational crystallization engineering and design space screening. For an accurate model, the dominant growth mechanism operating on each face must be determined, which is highly dependent on supersaturation. Considering the case of centrosymmetric growth units, we developed and connected existing mechanistic expressions for spiral and two-dimensional-nucleation growth regimes, through application of stationary nucleation rate theory. Our approach enables calculation of crossover supersaturations and forms a framework to model the specific mechanism operating on each face under given crystallization conditions. Increasing supersaturation can change the crystal morphology; as face families switch growth mechanisms, they may grow out of the steady-state shape, or influence its aspect ratio. Application of the model to naphthalene, biphenyl, pentaerythritol and β-HMX shows the ability to capture experimentally observed examples of such supersaturation-dependent crystal habits. This methodology broadens the applicability of mechanistic crystal growth modeling to include higher-supersaturation industrial processes. © 2017 American Institute of Chemical Engineers AIChE J, 63: 1338–1352, 2017

Nowadays, mastering crystal growth from different points of view is becoming an essential technique, with the continuous development of pharmaceutical industries and scientific research. Paracetamol (acetaminophen), a medication used to treat pain and fever, is often at a steady state growth shape but has a complex crystal habit. Because of its non-centrosymmetric structure, paracetamol has multiple types of kink sites on each edge of each face, which brings more difficulties in growth predicting for crystal morphology designers. Therefore, accurate analysis of paracetamol crystal structure and the ability to design its crystal shapes from as many solvents as possible are of significant meaning and interest. Here, a general mechanistic spiral growth model is introduced to predict the steady state morphologies of paracetamol crystal grown from 30 different solvents. An upgraded kink rate expression and a kink density expression are proposed to describe how the growth units associated with the kink, step, e...

We have synthesized amorphous silicon-nanomaterials displaying high capacity and stable cyclability using an original organometallic approach. The method is based on the decomposition of silicon compounds 1Si-P1-U-2016 and 1Si-P2-C-2016, where silicon is bound to four atoms bearing an electron-withdrawing group on the β-position. These compounds decompose under argon at temperature below 500 °C. Scanning Electron Microscopy displays particles with size less than 50 nm, considerably smaller than the critical size above which silicon nanostructures will pulverize [1] . The nanosilicon particles, remain amorphous upon sintering under argon at 1150 °C, and crystallize only above 1400 °C in air, yielding SiO 2 (Tetragonal, space group P 41212 ). The silicon nanoparticles show excellent cycling performance, retaining a specific capacity of 1000 mAh g -1 , and maintain more than 98% of its initial reversible capacity after 150 cycles. High specific capacity and stable cycle performance of the synthesized silicon makes it a promising anode material for lithium ion batteries

Natural gas development is increasing across North America and causing concern over the potential impacts on wildlife populations and their habitat, particularly for ungulate species. Understanding how this development impacts reproductive success metrics that are influential for ungulate population dynamics is important to guide management of ungulates. However, the influences of natural gas development on reproductive success metrics of mule deer Odocoileus hemionus have not been studied. We used statistical models to examine the influence of natural gas development and temporal factors on reproductive success metrics of mule deer in the Piceance Basin, northwest Colorado during 2012–2014. We focused on study areas with relatively high or low levels of natural gas development. Pregnancy and in utero fetal rates were high and statistically indistinguishable between study areas. Fetal survival rates increased over time and survival was lower in the high versus low development study areas in 2012 possibly influenced by drought coupled with habitat loss and fragmentation associated with development. Our novel results suggest managers should be concerned with the influences of development on fetal survival, particularly during extreme environmental conditions (e.g. drought) and our results can be used to guide development planning and/or mitigation. Developers and wildlife managers should continue to collaborate on development planning, such as implementing habitat treatments to improve forage availability and quality, minimizing disturbance to hiding and foraging habitat particularly during parturition, and implementing directional drilling to minimize pad disturbance density to increase fetal survival in developed areas.

This study describes the clinical features of a cohort of imported cases of strongyloidiasis and the performance of standard diagnostic techniques for this condition. A total of 413 cases were identified, of whom 86 had microscopically proven infection. In proven cases, 23% had normal eosinophil counts, 19% had negative Strongyloides-specific serology, and 9.3% had normal blood counts and were seronegative. Serological testing was less sensitive for returning travelers (46.2%) than for migrants (89.7%). Immunosuppression, including human T-cell lymphotropic virus 1, was significantly associated with proven infection after controlling for age, presence of symptoms, duration of infection, and eosinophilia (OR 5.60, 95% CI 1.54–20.4). Patients with proven infection had lower serology values than those diagnosed with strongyloidiasis on the basis of positive serology and eosinophilia alone (P = 0.016). Symptomatic patients were significantly younger, had a shorter presumed duration of infection, and lower serology values. These data suggest a correlation between immunologic control of strongyloidiasis and the amplitude of the humoral response.

This study evaluated the heavy metal profiles and microbial counts of 10 sachet water brands in Birnin Kebbi, Nigeria, to ascertain the safety of sachet water in the metropolis. Ten brands were randomly selected and assigned codes from KB1 to KB10, after which 15 samples from 3 batches were purchased from the vendors of each brand, making a total of 150 samples. The samples were analyzed for lead (Pb), copper (Cu), cadmium (Cd), chromium (Cr), nickel (Ni), and iron (Fe) concentrations by atomic absorption spectroscopy. The bacterial count as well as coliform and yeast counts were also determined using standard protocols. The mean values of the data obtained from both analyses were then compared with World Health Organization (WHO) drinking water standards. The results showed KB2, KB4, KB7, and KB8 contained Pb above the WHO limits of ⩽ 0.01 mg L -1 . Cu and Cd were detected in all the brands at concentrations within the WHO limits of £ 1.0 mg L -1 and ⩽ 0.003 mg L -1 , respectively. The levels of Cr in KB1, KB3, and KB8 were higher than ⩽ 0.05 mg L -1 WHO limits, while other brands were within the range. KB3, KB4, KB5, and KB7 exceeded £ 0.02 mg L -1 WHO limits for Ni. In the case of Fe, only KB8 and KB9 were found within the normal range of £ 0.3 mg L -1 . All the brands had bacterial counts above the WHO limits ( ⩽ 100 cfu ml -1 ), and only KB6 had coliform counts higher than the WHO limits ( ⩽ 0 cfu ml -1 ). Of all the brands, only KB3, KB7 and KB10 contained yeast beyond the WHO limits ( ⩽ 50 cfu ml -1 ). These results showed the water samples were seriously contaminated, and the water brands could pose a significant public health risk to the consumers in the city if this trend continues. Keywords: Bacterial count, Heavy metals, Microbe, Sachet water, Serial dilution

The predator search image hypothesis predicts that predators will focus on prey that are abundant and with which they have had success. However, the predator dilution effect hypothesis predicts a decrease in the per capita chance of being depredated with an increasing amount of prey. We evaluated these hypotheses through an artificial nest survival study. We estimated nest survival during both the non-breeding and breeding seasons of 2014 at a restinga (sand-coastalplain) area in southeastern Brazil. We installed 450 artificial nests (cup shaped) in each season and placed a Common quail (Coturnix coturnix) egg in each nest, totaling 900 nests. During the non-breeding season, our nests were the only ones present and thus the predator dilution effect should be absent. We estimated daily survival rate (DSR) using the “Nest Survival” function in the program MARK. We found a decrease in DSR at the middle and end in comparison with the onset of the non-breeding season, which supports the predator search image hypothesis. In comparison with the nonbreeding season, we also found that DSR of artificial nests was lower at the onset and end of the breeding season, but higher in the middle of the breeding season. This pattern matched the higher availability of prey (i.e. natural nests) in the middle of the breeding season in the study site, supporting the dilution effect hypothesis. The survival rate of artificial nests suggests that both the search image and the dilution effect may occur during the breeding season, and that the predator dilution effect masks the predator search image in the middle of the breeding season. Our results expand our understanding regarding the effects of the search image and predator dilution effect hypotheses on nest predation, showing that both are density-dependent and may occur during the breeding season

When designing or improving a chemical process, it is often difficult to know when a proposed design is “good enough”. This is due in part to a lack of knowledge of what is possible. With some benchmark against which to compare, design engineers would be better equipped to determine when a design is sufficiently favorable. This work presents recent updates to the CFSTR Equivalence Principle, developed by Feinberg and Ellison, which for steady-state processes allows us to determine the highest attainable production rate of a desired component in a given chemistry for a specified feed. We show that the problem can be reformulated to obtain target bounds on reaction selectivity and that realistic capacity constraints can be incorporated to obtain useful results. We also demonstrate that the CFSTR Equivalence Principle is applicable to all process, not just those that operate at steady state. Finally, we show that we can incorporate minimum work requirements to obtain screening-level economic metrics. These methodologies are demonstrated on a number of different chemistries.

Free energies of crystals computed using a center of mass constraint require a finite-size correction, as shown in previous work by Polson et al. [J. Chem. Phys. 112, 5339-5342 (2000)]. Their reference system is an Einstein crystal with equal spring constants. In this paper, we extend the work of Polson et al. [J. Chem. Phys. 112, 5339-5342 (2000)] to the case of differing spring constants. The generalization is convenient for constraining the center of mass in crystals with atoms of differing masses, and it helps to optimize the free energy calculations. To test the theory, we compare the free energies of LiI and NaCl crystals from calculations with differing spring constants to those computed using equal spring constants. Using these center of mass finite size corrections, we compute the true free energies of these crystals for different system sizes to eliminate the intrinsic finite-size effects. These calculations help demonstrate the size of these finite-size corrections relative to other contributions to the absolute free energy of the crystals.

Techno-economic analysis is an important part of evaluating potential chemical manufacturing ventures. A proposed conceptual process design gives the design engineer most of the information required to conduct these analyses. However, developing conceptual designs can be time consuming and expensive, especially given that most conceptual designs never see commercialization. In this work, we present a rapid screening methodology to generate screening-level economic metrics (NPV and NPV%) without dedicating significant time or resources to conventional chemical process design. This methodology uses ultimate bounds on reaction selectivity combined with the minimum work of separations to bypass the design procedure altogether. The methodology presented here provides a means to rapidly screen chemistries for their economic merit, compare a proposed process design to the best-case economic scenario, and compare potential projects competing for the same funding sources. In this article, we present the necessary theory and demonstrate the methodology.

10th International “Hiroshima” Symposium on the Development and Application of Semiconductor Tracking Detectors, HSTD10, Xian, China, 25 Sep 2015 - 29 Sep 2015 ; Nuclear instruments & methods in physics research / A 831, 207 - 212(2016). doi:10.1016/j.nima.2016.04.044, The upgrade to the High-Luminosity LHC foreseen in about ten years represents a great challenge for the ATLAS inner tracker and the silicon strip sensors in the forward region. Several strip sensor designs were developed by the ATLAS collaboration and fabricated by Hamamatsu in order to maintain enough performance in terms of charge collection efficiency and its uniformity throughout the active region. Of particular attention, in the case of a stereo-strip sensor, is the area near the sensor edge where shorter strips were ganged to the complete ones. In this work the electrical and charge collection test results on irradiated miniature sensors with forward geometry are presented. Results from charge collection efficiency measurements show that at the maximum expected fluence, the collected charge is roughly halved with respect to the one obtained prior to irradiation. Laser measurements show a good signal uniformity over the sensor. Ganged strips have a similar efficiency as standard strips., Published by Elsevier, Amsterdam

The ATLAS group has evaluated the charge collection in silicon microstrip sensors irradiated up to a fluence of 1×1016 n eq /cm 2 , exceeding the maximum of 1.6×1015 n eq /cm 2 expected for the strip tracker during the high luminosity LHC (HL-LHC) period including a safety factor of 2. The ATLAS12, n + -on-p type sensor, which is fabricated by Hamamatsu Photonics (HPK) on float zone (FZ) substrates, is the latest barrel sensor prototype. The charge collection from the irradiated 1×1 cm 2 barrel test sensors has been evaluated systematically using penetrating β-rays and an Alibava readout system. The data obtained at different measurement sites are compared with each other and with the results obtained from the previous ATLAS07 design. The results are very consistent, in particular, when the deposit charge is normalized by the sensor's active thickness derived from the edge transient current technique (edge-TCT) measurements. The measurements obtained using β-rays are verified to be consistent with the measurements using an electron beam. The edge-TCT is also effective for evaluating the field profiles across the depth. The differences between the irradiated ATLAS07 and ATLAS12 samples have been examined along with the differences among the samples irradiated with different radiation sources: neutrons, protons, and pions. The studies of the bulk properties of the devices show that the devices can yield a sufficiently large signal for the expected fluence range in the HL-LHC, thereby acting as precision tracking sensors.

A radiation hard n+-in-p micro-strip sensor for the use in the Upgrade of the strip tracker of the ATLAS experiment at the High Luminosity Large Hadron Collider (HL-LHC) has been developed by the “ATLAS ITk Strip Sensor collaboration” and produced by Hamamatsu Photonics. Surface properties of different types of end-cap and barrel miniature sensors of the latest sensor design ATLAS12 have been studied before and after irradiation. The tested barrel sensors vary in “punch-through protection” (PTP) structure, and the end-cap sensors, whose stereo-strips differ in fan geometry, in strip pitch and in edge strip ganging options. Sensors have been irradiated with proton fluences of up to 1×1016 neq/cm2, by reactor neutron fluence of 1×1015 neq/cm2 and by gamma rays from 60Co up to dose of 1 MGy. The main goal of the present study is to characterize the leakage current for micro-discharge breakdown voltage estimation, the inter-strip resistance and capacitance, the bias resistance and the effectiveness of PTP structures as a function of bias voltage and fluence. It has been verified that the ATLAS12 sensors have high breakdown voltage well above the operational voltage which implies that different geometries of sensors do not influence their stability. The inter-strip isolation is a strong function of irradiation fluence, however the sensor performance is acceptable in the expected range for HL-LHC. New gated PTP structure exhibits low PTP onset voltage and sharp cut-off of effective resistance even at the highest tested radiation fluence. The inter-strip capacitance complies with the technical specification required before irradiation and no radiation-induced degradation was observed. A summary of ATLAS12 sensors tests is presented including a comparison of results from different irradiation sites. The measured characteristics are compared with the previous prototype of the sensor design, ATLAS07.

With the highly competitive development of chemical and pharmaceutical industries, mastering crystal growth is becoming increasingly necessary. Modern industrial manufacturers place high importance on the ability to grow crystals with a specific habit using tailored operating conditions. A detailed understanding of crystal growth is, therefore, vital for researchers in crystallography and crystallization to respond and realize this objective. Various models to predict crystal shape in the literature are reviewed here. The most commonly adopted are usually non-mechanistic and limited in their predictive power and utility, especially for products of industrial interest. Mechanistic models offer far more potential for rational crystal design, but require significant expertise to use and each new system studied typically requires additional investment. In this context, an automated implementation of mechanistic models (simulating and visualizing crystal growth under different environmental parameters) could eliminate this barrier to entry and promote widespread adoption to propel design of crystalline-based products into the next generation. With this need in mind, we have developed prototype software named ADDICT (Advanced Design and Development of Industrial Crystallization Technology), that enables an established spiral growth model to be applied to general systems of industrial interest. This proof-of-concept software provides an advanced theoretical framework to account for the solid state physics and surface chemistry, to guide experiments in a more efficient search of the design space for conditions that confer optimum functionality to the product. ADDICT calculates relative growth rates of crystal faces under the spiral regime, grown from vapor or solution, using information on the solid-state interactions that are organized into periodic bond chains. Solvent effects are principally accounted for by an interfacial modification of surface energies and the evolution of crystal habit under cycles of growth or dissolution can be predicted also. ADDICT has been tested for a variety of organic molecules, both centrosymmetric and non-centrosymmetric, resulting in successful predictions (examples for naphthalene, anthracene, paracetamol, lovastatin, D-mannitol, and α-glycine are presented).

Fragmentation and habitat loss are top threats to tropical forest biodiversity and the Atlantic Forest is no exception. Over 80% of Atlantic Forest remnants in Brazil are < 50 ha and lack resident populations of large predators (jaguars, Panthera onca , and pumas, Puma concolor ). Mesopredators with opportunistic life-history characteristics (e.g., ocelots, Leopardus pardalis ) are now hypothesized to be the dominant competitor(s) in these systems and may negatively affect the spatial or temporal distribution of other sympatric mesocarnivores. We used camera-trap data, occupancy models, and temporal overlap indexes to explore whether ocelot occurrence influenced the habitat use or activity patterns of 6 mesocarnivores in reserves of the Brazilian Atlantic Forest. Ocelot occurrence did not influence the habitat use of these mesocarnivores. Moreover, the ability of some mesocarnivore species, especially the little spotted cat ( L. guttulus ), to adjust their activity patterns to avoid direct contact with ocelots may facilitate their coexistence in these Atlantic Forest remnants. Ocelot occurrence did not influence the activity pattern of 2 nocturnal species (the crab-eating fox, Cerdocyon thous , and the crab-eating raccoon, Procyon cancrivorus ), suggesting that these species are more tolerant of ocelots than other mesocarnivores. The probability of occupancy varied among species, with tayra ( Eira barbara ) and South American coati ( Nasua nasua ) having the highest occupancy estimates; overall, occupancy by mesocarnivores correlated negatively with reserve size. Because mesocarnivores are important drivers of ecosystem function, structure, and dynamics and may occupy unique roles that cannot be filled by larger carnivores, future studies should assess environmental factors influencing the use of these small remnants of Atlantic Forest by each mesocarnivore species. A fragmentacao e a perda de habitat sao as principais ameacas para a biodiversidade da floresta tropical e a Mata Atlântica nao e excecao. Mais de 80% dos remanescentes de Mata Atlântica no Brasil sao < 50 ha e nao tem populacoes residentes de grandes predadores (oncas-pintadas, Panthera onca , e oncas-pardas, Puma concolor ). Uma hipotese atual indica que mesopredadores com caracteristicas oportunistas de historia de vida (ex., jaguatiricas, Leopardus pardalis ) sao os competidores dominantes nestes sistemas, podendo afetar negativamente a distribuicao espacial ou temporal de outros mesocarnivoros simpatricos. Nos utilizamos dados de armadilhas fotograficas, modelos de ocupacao e indices de sobreposicao temporal para explorar se a ocorrencia da jaguatirica influencia o uso do habitat ou o padrao de atividade de 6 mesocarnivoros em reservas da Mata Atlântica brasileira. Nossos resultados indicam que a ocorrencia da jaguatirica nao influenciou o uso do habitat por estes mesocarnivoros. Alem disso, a capacidade de algumas especies de mesocarnivoros, especialmente o gato-do-mato ( L. guttulus ), de ajustar os seus padroes de atividade para evitar um contato direto com as jaguatiricas pode facilitar a coexistencia destas especies nestes remanescentes de Mata Atlântica. A ocorrencia da jaguatirica nao influenciou o padrao de atividade de 2 especies noturnas (o cachorro-do-mato, Cerdocyon thous , e o mao-pelada, Procyon cancrivorus ), sugerindo que estas especies sao mais tolerantes a jaguatirica que outros mesocarnivoros. A probabilidade de ocupacao variou entre as especies, com a irara ( Eira barbara ) e o quati sul americano ( Nasua nasua ) apresentando as estimativas mais altas de ocupacao. No geral, a ocupacao do habitat pelos mesocarnivoros correlacionou negativamente com o tamanho da reserva. Visto que os mesocarnivoros sao importantes direcionadores da funcao, da estrutura e das dinâmicas do ecossistema e podem ocupar papeis unicos que nao podem ser preenchidos por carnivoros maiores, estudos futuros devem avaliar os fatores ambientais que estao infuenciando o uso destes pequenos remanescentes de Mata Atlântica por cada especie de mesocarnivoro.

This article and this issue of the AIChE Journal, is a tribute to Professor Roger Sargent who, as pioneer and intellectual leader of process systems engineering, has had a profound impact on the discipline of chemical engineering. Spanning more than five decades, his work has provided a strong mathematical foundation to process systems engineering through the development of sophisticated mathematical and computational tools for the simulation, design, control, operation and optimization of chemical processes. In this article we first give a brief overview of his career that included several leadership positions and the establishment of the Centre for Process Systems Engineering (CPSE) at Imperial College London. We next review his research contributions in the areas of process modeling, differential algebraic systems, process dynamics and control, nonlinear optimization and optimal control, design under uncertainty, and process scheduling. We highlight the tremendous impact that he has had through his students, students' students, and his entire academic family tree, which at present contains over 2000 names, probably one of the largest among the academic leaders of chemical engineering. Finally, we provide a brief overview of him as a modest and charming individual with a wonderful sense of humor. He is without doubt a true intellectual giant who has helped to expand the scope of chemical engineering by providing a strong systems component to it, and by establishing strong multidisciplinary links with other fields. © 2016 American Institute of Chemical Engineers AIChE J, 62: 2951–2958, 2016

Recruitment of juveniles is an important vital rate that influences population growth and is fundamental to understanding trends in population size. Estimates of recruitment are often focused on the period just after hatching (prefledgling stage), which is typically the lowest survival period and often the most variable. Few studies examine true recruitment—survival from hatching to entering the breeding population—although this information is more relevant to understanding population trends. We studied the recruitment of Gunnison Sage-Grouse (Centrocercus minimus), a federally threatened species in the U.S., to examine the relative importance of chick and juvenile survival to recruitment patterns. We evaluated recruitment from 2005 to 2010 by combining separate estimates of chick survival (hatching to 30 days of age) and juvenile survival (31 days of age to the start of the first breeding season). To explain variation in these survival rates, we examined the effects of population, individual (i....

This article is motivated by a remarkable observation reported recently by Myerson, Trout, and co-workers that continuous crystallization is capable of producing metastable polymorphs in stable steady-state operation. We explain why this phenomenon occurs and give simple design rules for reproducing it in other polymorphic systems. A linear stability analysis gives simple functions of parameters for which one can continuously produce thermodynamically metastable products based only on the relative polymorph dynamics. We demonstrate agreement with two sets of experimental data; L-glutamic acid grown from aqueous solution and p-aminobenzoic acid also grown from aqueous solution. For many polymorphic compounds, engineering a process to produce a desired polymorph is as simple as finding a reasonable operating point for the continuous mixed-suspension mixed-product removal crystallization process (temperature, residence time, initial supersaturation, etc.) according to the rules reported in this article. © 2016 American Institute of Chemical Engineers AIChE J, 62: 3505–3514, 2016

The central kinetic processes defining layer-by-layer crystal growth or dissolution are the attachment and detachment rates of growth units at kink sites; the net balance of these activated processes leads to either crystal growth or dissolution. Various sets of rate expressions for attachment and detachment processes have been used in the literature, in each case attempting to most appropriately capture the underlying surface chemistry. We examine these proposals with specific attention to thermodynamics and detailed balance criteria and then recommend which expressions to adopt.

In order to develop a practical engineering tool for predicting the relative growth rates and morphology of solution-grown faceted crystals, a method for quickly determining solvent-modified crystal surface energies is required. The bulk interface approximation and model by van Oss, Chaudhury, and Good provides the most practical option available for small organic molecules. Applying these techniques to the mechanistic growth modeling of four centrosymmetric crystal systems provides evidence of the utility of this treatment, since both sublimation and solution growth shape predictions correspond to experimental shapes. The fact that the approach correctly predicts the changes between sublimation and solution growth shapes supports the ability of this technique to accurately account for the solvent effect.

Estimates of species' vital rates and an understanding of the factors affecting those parameters over time and space can provide crucial information for management and conservation. We used mark-recapture, reproductive output, and territory occupancy data collected during 1985-2013 to evaluate population processes of Northern Spotted Owls (Strix occidentalis caurina) in 11 study areas in Washington, Oregon, and northern California, USA. We estimated apparent survival, fecundity, recruitment, rate of population change, and local extinction and colonization rates, and investigated relationships between these parameters and the amount of suitable habitat, local and regional variation in meteorological conditions, and competition with Barred Owls (Strix varia). Data were analyzed for each area separately and in a meta-analysis of all areas combined, following a strict protocol for data collection, preparation, and analysis. We used mixed effects linear models for analyses of fecundity, Cormack-Jolly-Seber open population models for analyses of apparent annual survival (phi), and a reparameterization of the Jolly-Seber capture-recapture model (i.e. reverse Jolly-Seber; RJS) to estimate annual rates of population change (lambda(RJS)) and recruitment. We also modeled territory occupancy dynamics of Northern Spotted Owls and Barred Owls in each study area using 2-species occupancy models. Estimated mean annual rates of population change (lambda) suggested that Spotted Owl populations declined from 1.2% to 8.4% per year depending on the study area. The weighted mean estimate of lambda for all study areas was 0.962 (+/- 0.019 SE; 95% CI: 0.925-0.999), indicating an estimated range-wide decline of 3.8% per year from 1985 to 2013. Variation in recruitment rates across the range of the Spotted Owl was best explained by an interaction between total winter precipitation and mean minimum winter temperature. Thus, recruitment rates were highest when both total precipitation (29 cm) and minimum winter temperature (-9.5 degrees C) were lowest. Barred Owl presence was associated with increased local extinction rates of Spotted Owl pairs for all 11 study areas. Habitat covariates were related to extinction rates for Spotted Owl pairs in 8 of 11 study areas, and a greater amount of suitable owl habitat was generally associated with decreased extinction rates. We observed negative effects of Barred Owl presence on colonization rates of Spotted Owl pairs in 5 of 11 study areas. The total amount of suitable Spotted Owl habitat was positively associated with colonization rates in 5 areas, and more habitat disturbance was associated with lower colonization rates in 2 areas. We observed strong declines in derived estimates of occupancy in all study areas. Mean fecundity of females was highest for adults (0.309 +/- 0.027 SE), intermediate for 2-yr-olds (0.179 +/- 0.040 SE), and lowest for 1-yr-olds (0.065 +/- 0.022 SE). The presence of Barred Owls and habitat covariates explained little of the temporal variation in fecundity in most study areas. Climate covariates occurred in competitive fecundity models in 8 of 11 study areas, but support for these relationships was generally weak. The fecundity meta-analysis resulted in 6 competitive models, all of which included the additive effects of geographic region and annual time variation. The 2 top-ranked models also weakly supported the additive negative effects of the amount of suitable core area habitat, Barred Owl presence, and the amount of edge habitat on fecundity. We found strong support for a negative effect of Barred Owl presence on apparent survival of Spotted Owls in 10 of 11 study areas, but found few strong effects of habitat on survival at the study area scale. Climate covariates occurred in top or competitive survival models for 10 of 11 study areas, and in most cases the relationships were as predicted; however, there was little consistency among areas regarding the relative importance of specific climate covariates. In contrast, meta-analysis results suggested that Spotted Owl survival was higher across all study areas when the Pacific Decadal Oscillation (PDO) was in a warming phase and the Southern Oscillation Index (SOI) was negative, with a strongly negative SOI indicative of El Nino events. The best model that included the Barred Owl covariate (BO) was ranked 4th and also included the PDO covariate, but the BO effect was strongly negative. Our results indicated that Northern Spotted Owl populations were declining throughout the range of the subspecies and that annual rates of decline were accelerating in many areas. We observed strong evidence that Barred Owls negatively affected Spotted Owl populations, primarily by decreasing apparent survival and increasing local territory extinction rates. However, the amount of suitable owl habitat, local weather, and regional climatic patterns also were related to survival, occupancy (via colonization rate), recruitment, and, to a lesser extent, fecundity, although there was inconsistency in regard to which covariates were important for particular demographic parameters or across study areas. In the study areas where habitat was an important source of variation for Spotted Owl demographics, vital rates were generally positively associated with a greater amount of suitable owl habitat. However, Barred Owl densities may now be high enough across the range of the Northern Spotted Owl that, despite the continued management and conservation of suitable owl habitat on federal lands, the long-term prognosis for the persistence of Northern Spotted Owls may be in question without additional management intervention. Based on our study, the removal of Barred Owls from the Green Diamond Resources (GDR) study area had rapid, positive effects on Northern Spotted Owl survival and the rate of population change, supporting the hypothesis that, along with habitat conservation and management, Barred Owl removal may be able to slow or reverse Northern Spotted Owl population declines on at least a localized scale. USDA Forest ServiceUnited States Department of Agriculture (USDA)United States Forest Service; USDI Bureau of Land Management; USDI National Park Service; Green Diamond Resource Company; Plum Creek Timber Company; Louisiana Pacific Lumber Company; Hancock Forest Management; Hoopa Tribe; USDI Bureau of Land Management via a Cost Reimbursable Research Agreement with Oregon State University Funding for demographic studies of Northern Spotted Owls on federal lands was provided primarily by the USDA Forest Service, USDI Bureau of Land Management, and USDI National Park Service. Funding for studies on nonfederal lands came from the Green Diamond Resource Company, Plum Creek Timber Company, Louisiana Pacific Lumber Company, Hancock Forest Management, and the Hoopa Tribe. Funding for the workshop was provided by the USDA Forest Service and USDI Bureau of Land Management via a Cost Reimbursable Research Agreement with Oregon State University. The U.S. Geological Survey and USDA Forest Service required approval of the final manuscript before publication, but none of the funding agencies associated with this meta-analysis had any influence on the content of the submitted or published manuscript. Any use of trade, firm, or product names is for descriptive purposes only and does not imply endorsement by the U.S. Government. Ethics statement: All data from study areas in which K.M.D., E.D.F., and A.B.F. were principal investigators (CLE, OLY, COA, HJA, TYE, CAS, and NWC) were collected following protocols approved under animal care and use permits overseen by Oregon State University's and Colorado State University's Institutional Animal Care and Use Committees. These protocols were followed and all relevant state and federal permits were acquired and maintained for all study areas included in this meta-analysis. Public domain – authored by a U.S. government employee

In sharp contrast to the extensive debate that has been conducted in the contemporary literature, with regard to consumers' perceptions of e-service quality, the voice of those managing e-service quality has remained relatively silent. Against this backdrop, the primary aim of the research presented in this paper is to address the gap in the literature with regard to the role of electronic service quality management in leveraging business value from on-line retailing strategies. The study was undertaken using a quantitative research methodology, based upon questionnaires, which resulted in a sample of 225 responses, completed by senior managers from across the UK's on-line retail sector. The results of the statistical analyses have demonstrated that the perceived success of a retailer's e-commerce operations is strongly associated with both the management approaches to e-service quality and the level of e-commerce adoption. Of particular interest is our finding that as the scale and scope of a retailer's e-commerce operations grow, there is a concomitant need for its e-service quality operations to develop, if it is to realise the full value from its on-line activities. The article adds to the body of knowledge regarding the management of electronic service quality while also seeking to stimulate critical debate concerning the role of service quality practises within prevailing IT value discourses.

When processing real-world recordings of speech, it is highly probable noise will be present at some instance in the signal. Compounding this problem is the situation when the noise occurs in short, impulsive bursts at random intervals. Traditional signal processing methods used to detect speech rely on the spectral energy of the incoming signal to make a determination whether or not a segment of the signal contains speech. However when noise is present, this simple energy detection is prone to falsely flagging noise as speech. This paper will demonstrate an alternative way of processing a noisy speech signal utilizing a combination of information theoretic and signal processing principles to differentiate speech segments from noise. The utilization of this preprocessing technique will allow a speaker recognition system to train statistical speaker model using noise-corrupted speech files, and construct models statistically similar to those constructed from noise-free data. This preprocessing method will be shown to outperform traditional spectrum-based methods for both low-entropy and high-entropy noise in low signal-to-noise ratio environments, with a reduction in the feature space distortion when measured using the Cauchy–Schwarz (CS) distance metric.

We report on some recent developments to create tools (mathematical models and their implementation as software design aids) to improve the workflow during conceptual design of crystalline solid processes. We focus on one particular tool that is capable of predicting the shape and morphology of crystalline particles using only the following input data, (1) crystal structure, (2) atom-atom force field, and (3) specified solvent. The key outputs are the steady-state growth shape and morphology of the crystals, and the “shape triangle” which gives graphical information about the influence of design variables (temperature, supersaturation, solvent) on the resulting shape and morphology of the crystal. More detailed outputs are also provided (e.g., periodic bond chain networks, growth spiral shapes, etc.) for use by the more sophisticated user. The tool can be used alone or in combination with other tools that have been developed recently to aid in the design of crystallization processes.

The balsam twig aphid Mindarus abietinus Koch (Hemiptera: Aphididae), the spruce spider mite Oligonychus ununguis (Jacobi) (Acari: Tetranychidae), and the pine needle scale Chionaspis pinifoliae (Fitch) (Hemiptera: Diaspididae) are three important pests for the Christmas tree industry of Quebec, Canada. Temperature-dependent development rates for postdiapause overwintering eggs of these species have never been studied for populations of southern Quebec, where the vast majority of Christmas trees are grown. The accumulation of physiological time in growing degree days (GDD) is a standard tool to predict egg eclosion dates for pests, when first generation immatures are most vulnerable to insecticidal control. Development rates for postdiapause eggs were tested at four or five constant temperatures in the 11-23°C range under controlled conditions, based on time before hatching for eggs collected in a balsam fir plantation in late winter. The standard linear model and three published nonlinear models were fitted to the data and compared for their ability to estimate key biological temperature parameters and to predict development rates of postdiapause eggs. Validation of model predictions of egg eclosion time on balsam fir in the field was reasonably accurate using the classical linear model where field-accumulated GDD were calculated with a particular interpretation of the average method based on daily maximum and minimum temperatures. The linear model could predict mean egg eclosion within around 5 d of eclosion dates observed in the field.

Research demonstrates that social support facilitates recovery from a mental illness. Stigma negatively impacts the social support available to persons with mental illness (PWMIs). We investigated how religious beliefs about mental illness influenced the types of social support individuals would be willing to give PWMIs. Christian participants indicated their denominational affiliation and their religious beliefs about mental illness. We then asked participants to imagine a situation in which their friend had depression. Participants indicated their willingness to give secular and spiritual social support (e.g., secular: recommending medication; spiritual: recommending prayer). Christians' beliefs that mental illness results from immorality/sinfulness and that mental illnesses have spiritual causes/treatments both predicted preference for giving spiritual social support. Evangelical Christians endorsed more beliefs that mental illnesses have spiritual causes/treatments than Mainline Protestant and Roman Catholic Christians, and they endorsed more preference for giving spiritual social support than Roman Catholic Christians.

Objective To determine whether transforming growth factor (TGF)-β3 is a paracrine signal secreted by leiomyoma that inhibits bone morphogenetic protein (BMP)-mediated endometrial receptivity and decidualization. Design Experimental. Setting Laboratory. Patient(s) Women with symptomatic leiomyomas. Intervention(s) Endometrial stromal cells (ESCs) and leiomyoma cells were isolated from surgical specimens. Leiomyoma-conditioned media (LCM) was applied to cultured ESC. The TGF-β was blocked by two approaches: TGF-β pan-specific antibody or transfection with a mutant TGF-β receptor type II. Cells were then treated with recombinant human BMP-2 to assess BMP responsiveness. Main Outcome Measure(s) Expression of BMP receptor types 1A, 1B, 2, as well as endometrial receptivity mediators HOXA10 and leukemia inhibitory factor (LIF). Result(s) Enzyme-linked immunosorbent assay showed elevated TGF-β levels in LCM. LCM treatment of ESC reduced expression of BMP receptor types 1B and 2 to approximately 60% of pretreatment levels. Preincubation of LCM with TGF-β neutralizing antibody or mutant TGF receptor, but not respective controls, prevented repression of BMP receptors. HOXA10 and LIF expression was repressed in recombinant human BMP-2 treated, LCM exposed ESC. Pretreatment of LCM with TGF-β antibody or transfection with mutant TGF receptor prevented HOXA10 and LIF repression. Conclusion(s) Leiomyoma-derived TGF-β was necessary and sufficient to alter endometrial BMP-2 responsiveness. Blockade of TGF-β prevents repression of BMP-2 receptors and restores BMP-2-stimulated expression of HOXA10 and LIF. Blockade of TGF signaling is a potential strategy to improve infertility and pregnancy loss associated with uterine leiomyoma.

The growing attention and prominence afforded to analytics presents a genuine challenge for the operational research community. Many in the community have recognised this growth and sought to align themselves with analytics. For instance, the US operational research society INFORMS now offers analytics related conferences, certification and a magazine. However, as shown in this research, the volume of analytics-orientated studies in journals associated with operational research is comparatively low. This paper seeks to address this paradox by seeking to better understand what analytics is, and how operational research is related to it. To do so literature from a range of academic disciplines is analysed, in what is conceived as concurrent histories in the shared tradition of a management paradigm spread over the last 100 years. The findings of this analysis reveal new insights as to how operational research exists within an ecosystem shared with several other disciplines, and how interactions and ripple effects diffuse knowledge and ideas between each. Whilst this ecosystem is developed and evolved through interdisciplinary collaborations, individual disciplines are cast into competition for the attention of the same business users. These findings are further explored by discussing the implication this has for operational research, as well as considering what directions future research may take to maximise the potential value of these relationships.