bluuebunny/crossref_metadata_2025 huggingface dataset:
Parameter space Kalman smoothers for multi-decadal climate analysis in high resolution coupled Global Circulation Models
Authors: García-Pintado Javier , Paul André
Published: March 2018

Abstract. In climate reanalyses for multi-decadal or longer scales with coupled atmosphere-ocean General Circulation models (CGCMs) it can be assumed that the growth of prediction errors arises chiefly from imprecisely known model parameters, which have a nonlinear relationship with the climate observations (paleoclimate proxies). Also, high-resolution CGCMs for climate analysis are extremely expensive to run, which constrains the applicability of assimilation schemes. In a model framework where we assume that model dynamic parameters account for (nearly) all forecast errors at observation times, we compare two computationally efficient iterative schemes for approximate nonlinear model parameter estimation and joint flux estimation (taking the specific shape of freshwater from melting in the Greenland ice sheet), and its physically consistent state. First, a trivial adaptation of the strong constraint incremental 4D-Var formulation leads to what we refer to as the parameter space iterative extended Kalman smoother (pIKS); a Gauss-Newton scheme. Second, a so-called parameter space fractional Kalman smoother (pFKS) is an alternative controlled-step line search, which can potentially be a more stable approach. While these iterative schemes have been used in data assimilation, we revisit them together within the context of parameter estimation in climate reanalysis, as compared to the more general 4D-Var formulation. Then, the two schemes are evaluated in numerical experiments with a simple 1D energy balance model (Ebm1D) and with a fully-coupled Community Earth System Model (CESM v1.2). Firstly, with Ebm1D the pFKS obtains a cost function similar to the adjoint method with highly reduced computational cost, while an ensemble transform Kalman filter with an m = 60 ensemble size (ETKF60) behaves slightly worse. The pIKS behaves worse than the ETKF60, but an ETKF10 (m = 10) is even worst. Accordingly, with CESM we evaluate the pKFS and the ETKF60 along with an ETKF with Gaussian Anamorphosis (ETKF-GA60). From all the options, the pFKS has the lowest cost function and seems the favored overall option under heavy computational restrictions, but the ETKF obtains better estimates of the flux term.
GemPy 1.0: open-source stochastic geological
modeling and inversion
Authors: de la Varga Miguel , Schaaf Alexander , Wellmann Florian
Published: March 2018

Abstract. The representation of subsurface structures is an essential aspect of a wide variety of geoscientific investigations and applications: ranging from geofluid reservoir studies, over raw material investigations, to geosequestration, as well as many branches of geoscientific research studies and applications in geological surveys. A wide range of methods exists to generate geological models. However, especially the powerful methods are behind a paywall in expensive commercial packages. We present here a full open-source geomodeling method, based on an implicit potential-field interpolation approach. The interpolation algorithm is comparable to implementations in commercial packages and capable of constructing complex full 3-D geological models, including fault networks, fault-surface interactions, unconformities, and dome structures. This algorithm is implemented in the programming language Python, making use of a highly efficient underlying library for efficient code generation (theano) that enables a direct execution on GPU's. The functionality can be separated into the core aspects required to generate 3-D geological models and additional assets for advanced scientific investigations. These assets provide the full power behind our approach, as they enable the link to Machine Learning and Bayesian inference frameworks and thus a path to stochastic geological modeling and inversions. In addition, we provide methods to analyse model topology and to compute gravity fields on the basis of the geological models and assigned density values. In summary, we provide a basis for open scientific research using geological models, with the aim to foster reproducible research in the field of geomodeling.
IO-Link Wireless enhanced factory automation communication for Industry 4.0 applications
Authors: Heynicke Ralf , Krush Dmytro , Cammin Christoph , Scholl Gerd , Kaercher Bernd , Ritter Jochen , Gaggero Pascal , Rentschler Markus
Published: March 2018

Abstract. In the context of the Industry 4.0 initiative, Cyber-Physical Production Systems (CPPS) or Cyber Manufacturing Systems (CMS) can be characterized as advanced networked mechatronic production systems gaining their added value by interaction with the ambient Industrial Internet of Things (IIoT). In this context appropriate communication technologies and standards play a vital role to realize the manifold potential improvements in the production process. One of these standards is IO-Link. In 2016 more than 5 million IO-Link nodes have been produced and delivered, still gaining increasing acceptance for the communication between sensors, actuators and the control level. The steadily increasing demand for more flexibility in automation solutions can be fulfilled using wireless technologies. With the wireless extension for the IO-Link standard, which will be presented in this article, maximum cycle times of 5 ms can be achieved with a probability that this limit will be exceeded to be at maximum one part per billion. Also roaming capabilities, wireless coexistence mechanisms and the possibility to include battery-powered or energy-harvesting sensors with very limited energy resources in the realtime network were defined. For system planning, setup, operation and maintenance, the standard engineering tools of IO-Link can be employed so that the backward compatibility with wired IO-Link solutions can be guaranteed. Interoperability between manufacturers is a key requirement for any communication standard, thus a procedure for IO-Link Wireless testing is also suggested.
Density structure and isostasy of the lithosphere in Egypt and their relation to seismicity
Authors: Kaban Mikhail K. , El Khrepy Sami , Al-Arifi Nassir
Published: March 2018

Abstract. A joint analysis of the new satellite-terrestrial gravity field model with the recent data on the crustal structure and seismic tomography model was conducted to create an integrative model of the crust and upper mantle; and to investigate the relation of the density structure and the isostatic state of the lithosphere to the seismicity of Egypt. We identified the distinct fragmentation of the lithosphere of Egypt into several blocks. This division is closely related to the seismicity patterns in this region. The relatively dense and strong lithosphere in the Nile Delta limits the seismic activity within this area, while earthquakes are mainly associated with the boundaries of this block. In the same way, the relatively strong lithosphere in the Suez Isthmus and northern Mediterranean prevents the Gulf of Suez from opening further. The central part of Egypt is generally characterized by an increased density of the mantle, which extends to the Mediterranean at a depth of 100 km. This anomaly deepens southward to Gilf El Kebir and eastward to the Eastern Desert. The average density of the crystalline crust is generally reduced in this zone, indicating the increased thickness of the upper crust. The low-density anomaly under the northern Red Sea is limited to 100–125 km, confirming the passive origin of the extension. Most of the earthquakes occur in the crust and uppermost mantle in this structure due to the hot and weak upper mantle underneath. Furthermore, an asymmetric lithosphere structure is observed across the Northern Red Sea. The isostatic anomalies show the fragmentation of the crust of Sinai with the high-density central block. Strong variations of the isostatic anomalies are correlated with the high level of seismicity around Sinai. This tendency is also evident in the North Red Sea, east of the Nile Valley, and in parts of the Western Desert.
Modelling the climate and surface mass balance of polar ice sheets using RACMO2 – Part 1: Greenland (1958–2016)
Authors: Noël Brice , van de Berg Willem Jan , van Wessem J. Melchior , van Meijgaard Erik , van As Dirk , Lenaerts Jan T. M. , Lhermitte Stef , Kuipers Munneke Peter , Smeets C. J. P. Paul , van Ulft Lambertus H. , van de Wal Roderik S. W. , van den Broeke Michiel R.
Published: March 2018

Abstract. We evaluate modelled Greenland ice sheet (GrIS) near-surface climate, surface energy balance (SEB) and surface mass balance (SMB) from the updated regional climate model RACMO2 (1958–2016). The new model version, referred to as RACMO2.3p2, incorporates updated glacier outlines, topography and ice albedo fields. Parameters in the cloud scheme governing the conversion of cloud condensate into precipitation have been tuned to correct inland snowfall underestimation: snow properties are modified to reduce drifting snow and melt production in the ice sheet percolation zone. The ice albedo prescribed in the updated model is lower at the ice sheet margins, increasing ice melt locally. RACMO2.3p2 shows good agreement compared to in situ meteorological data and point SEB/SMB measurements, and better resolves the spatial patterns and temporal variability of SMB compared with the previous model version, notably in the north-east, south-east and along the K-transect in south-western Greenland. This new model version provides updated, high-resolution gridded fields of the GrIS present-day climate and SMB, and will be used for projections of the GrIS climate and SMB in response to a future climate scenario in a forthcoming study.
A control-oriented dynamic wind farm model: WFSim
Authors: Boersma Sjoerd , Doekemeijer Bart , Vali Mehdi , Meyers Johan , van Wingerden Jan-Willem
Published: March 2018

Abstract. Wind turbines are often sited together in wind farms as it is economically advantageous. Controlling the flow within wind farms to reduce the fatigue loads, maximize energy production and provide ancillary services is a challenging control problem due to the underlying time-varying non-linear wake dynamics. In this paper, we present a control-oriented dynamical wind farm model called the WindFarmSimulator (WFSim) that can be used in closed-loop wind farm control algorithms. The three-dimensional Navier–Stokes equations were the starting point for deriving the control-oriented dynamic wind farm model. Then, in order to reduce computational complexity, terms involving the vertical dimension were either neglected or estimated in order to partially compensate for neglecting the vertical dimension. Sparsity of and structure in the system matrices make this model relatively computationally inexpensive. We showed that by taking the vertical dimension partially into account, the estimation of flow data generated with a high-fidelity wind farm model is improved relative to when the vertical dimension is completely neglected in WFSim. Moreover, we showed that, for the study cases considered in this work, WFSim is potentially fast enough to be used in an online closed-loop control framework including model parameter updates. Finally we showed that the proposed wind farm model is able to estimate flow and power signals generated by two different 3-D high-fidelity wind farm models.
On Fully-Convex Harmonic Functions and their Extension
Authors: Nosrati Shahpour , Zireh Ahmad
Published: March 2018

‎Uniformly convex univalent functions that introduced by Goodman‎, ‎maps every circular arc contained in the open unit disk with center in it into a convex curve‎. ‎On the other hand‎, ‎a fully-convex harmonic function‎, ‎maps each subdisk $|z|=r<1$ onto a convex curve‎. ‎Here we synthesis these two ideas and introduce a family of univalent harmonic functions which are fully-convex and uniformly convex also‎. ‎In the following we will mention some examples of this subclass and obtain a necessary and sufficient conditions and finally a coefficient condition will attain with convolution‎.
Existence of three solutions to the discrete fourth-order boundary value problem with four parameters
Authors: Ousbika Mohamed , El Allali Zakaria
Published: March 2018

In this work, we willproving the existence of three solutionsf or the discrete nonlinear fourth order boundary value problems with four parameters. The methods used here are based on the critical point theory.
Economics Imperialism and some of its Unintended Consequences
Authors: Kucz Mateusz
Published: March 2018

Studying the problem of the invisible hand may be very insightful, but also it brings up some dangers. As an ethicist, I would like to mention one very important axiological danger that occurs in some studies conducted by social scientists on the market especially linked to the invisible hand assumption. It is a danger of moral reductionism that results from assumption that rules of invisible hand are scientific laws. We might say that economic imperialism is not anything special. It is popular that when a scholar develops good theory, he tries to apply it to the widest possible range of phenomena, but in most cases, he is put in his place by fellow scientists. Economists, surprisingly, succeeded in widening the scope of their investigation without any loud objections. In my paper, I would like to explore the idea that economic imperialism is a leading paradigm in many spheres of science which has resulted in unintended social consequences. If we want to overcome this paradigm, we need to start with redefining, reinventing, revaluing the language we use.
Etyczny wymiar kryzysu odpowiedzialności globalnej
Authors: Najder-Stefaniak Krystyna
Published: March 2018

The paper discusses the relationship of the global responsibility crisis with values. The author shows that the source of this crisis is the loss of perspective defined by universal values. She uses the European concept of creativity and the Chinese concept of crisis /wej-dżi/ to show the ethical dimension of the crisis. She draws attention to the usefulness of the crisis for creative crossing the limits of what is possible as set by the current situation.
Edukacja ekologiczna w perspektywie zrównoważonego rozwoju
Authors: Tuszyńska Ligia
Published: March 2018

Human ecology is a science of mutual relations between human population and natural habitat. It uses complex approach to research many aspects of human life, especially human dynamic relations with the closest environment: family, home, nature and local community, and creating healthy environment for everyday life. There is a new challenge for pedagogy, i.e. forming human ecological awareness defined as knowledge of environment. There is also an issue of competencies and active practices for environmental protection. Ecological pedagogy, in its assumptions, does not support the idea of anthropocentrism conceived as human being’s dominance over nature; its idea is education for coexistence and human protection of nature in order to maintain it for next generations and achieve sustainable development.
The aim of this article is to draw attention to the level of ecological awareness of the society, including teachers, as well as specific features of education for sustainable development as social practices.
Media and Information Literacy Project in the Republic of Moldova. Local Issues in European and Global Context
Authors: Palamarciuc Viorica
Published: March 2018

Media and Information Literacy (MIL) is a relatively new field. It is a response to the growing concern around the world and namely the increasingly complex media and information landscape, the changes in the way the information is delivered by the media and consumed by people. The paper focuses on MIL actions taken by IREX Europe in the Republic of Moldova. IREX Europe is a non-profit, non-governmental organisation working to improve education, strengthen independent media, reduce conflict, and support democracy and human rights, based in Lyon, France.
TOURISTS' MOTIVATION TO VISIT AND PERCEPTION OF VISITOR ATTRACTIONS ILLUSTRATED ON THE EXAMPLE OF HORTOBÁGY NATIONAL PARK
Authors: Doroz Hanna
Published: March 2018

Purpose. The article presents the results of research concerning tourists' motivation for using so-called sustainable tourism. What is more, it evaluates the tourist attractions offered at Hortobágy National Park. The partial purpose of the article is presenting the attractiveness of Hortobágy National Park, while the main one is presentation of tourists' motivation for visiting this destination of sustainable tourism and investigating their perception illustrated on the example of Hortobágy Method. The research methods used in this article include: participant observation supplemented with questionnaire surveys and numerous free-form interviews. Findings. The largest portion of visitors is satisfied by the tourist offer of Hortobágy National Park. Hortobágy National Park is a place, where the aims of UNESCO Site, Biosphere Reserve, national park and others, are the most important and where they are achieved. These aims are mainly connected to biodiversity preservation and education about the dependence between bio- and cultural diversity, and current human activity. Tourism is an additional function of Hortobágy National Park and the tourists' movement is not to overbear the natural and cultural heritage protective function of this area. Finally, this kind of tourism presented in Hortobágy National Park helps to achieve the sustainable development at the destination. Research and conclusion limitations. The structure of respondents according to the country of origin is not exactly the same in the results as in reality. Sometimes it might cause wrong conclusions, especially in context of inadequate foreign language knowledge among the national park employees. Practical implications. Results enable formulating conclusions on the main groups of receivers of the national park's tourist offer, tourists' perception of sustainable tourism as well as proposals of solutions aiming at maintaining the present balance between environmental protection and tourism management taking the suggestions of tourists with high ecological awareness into consideration. Originality. There are very few papers which focus on Hortobágy National Park and this is one of the first about tourism on this area. This paper shows the Hortobágy National Park sustainability to be between the strictly protected area and tourism destination. Type of paper. The article presents the results of empirical research.
Two way Panel Causality Analysis for Degree of Trade Openness and Size of City
Authors: Uzma Tabassum  , Shaista Alam
Published: March 2018

The relationship between trade openness and economic size of city has long been a subject of much interest in international literature of trade. Trade Openness might increases the economic size of city by increasing the significance of transportation modes which are mostly present in urban areas and raising the demand for marketing, financing and communication. In contrast some literature argue that protectionism generates large cities as firms cluster in an urban area to minimize its unit cost via sharing of intermediate goods, labour pool and knowledge spill-over. Thus, there exist an important causal connection between the economic size of the city and its contribution in international trade. This paper is designed to explore these causal connections using panel causality analysis. The panel consists of fourteen major cities of Pakistan and 14 years commence from 1999-00 till 2012-13. The result affirms a positive two-way causal relationship between a cities' economic size and its degree of trade openness.
Judgment Day: The Workers’ Stage and the Popular Front in 1930s Finland
Authors: Seppälä Mikko-Olavi
Published: March 2018

The Workers’ Stage (in Finnish ‘Työväen Näyttämö’) was an amateur workers’ theatre based in Helsinki. The theatre experienced its height of success when it co-operated with left-wing intellectuals between 1934 and 1939. As an organic part of the Popular Front movement, the theatre brought an international anti-fascist repertoire to Finland. In the performance of Elmer Rice’s Judgment Day (1935) the struggle for civil rights in Finland was put in the larger frame of the international struggle against Fascism. Unit­ing intellectuals and workers, the theatre and its activist personnel also functioned as a platform for the practical organising of counter-hegemonic intervention and under­ground activism. For the activist left-wing opposition, theatre functioned as an exten­sion of their political journals, as a (counter-)public sphere and a vehicle for highlighting contemporary political problems, accelerating public discussion and engaging more people – workers and intellectuals alike – in fruitful interaction. The activism had clear political results in the 1936 elections, although the personal outcome for the activist art­ists and communists turned out to be controversial, as they remained rejected from the new hegemony.
Le rapport de laboratoire dans les classes de science et technologie en 4e secondaire : analyse d’un genre disciplinaire
Authors: Lanctôt Stéphanie
Published: March 2018

La maîtrise de la langue écrite dans les disciplines scolaires représente un indice prédictif de la réussite à l’école. Bien qu’au secondaire la compétence à communiquer de façon appropriée constitue une compétence transversale à développer dans tout le cursus scolaire, l’idée de transférabilité des acquis réalisés en classe de français dans les tâches d’écriture demandées en classe de science est discutable. De fait, chaque discipline possède ses particularités langagières, lesquelles doivent être enseignées dans les contextes de production-réception spécifiques aux domaines d’apprentissage. Puisque le rapport de laboratoire constitue un genre dominant en science et technologie au secondaire, nous avons voulu en dégager les principales caractéristiques langagières dans le but de concevoir, à l’intention des élèves, une grille de révision explicitant les conventions propres à la rédaction de ce genre d’écrit.
Les difficultés de compréhension en lecture chez les étudiants de la francophonie ontarienne en formation initiale des maîtres
Authors: Carignan Isabelle , Simbagoye Athanase , Chamberland Justin , Roy-Charland Annie
Published: March 2018

Pour comprendre un document textuel, peu importe le support utilisé, il ne suffit pas de savoir décoder une série de mots; encore faut-il saisir adéquatement le sens général de ce document. L’acte de lire englobe deux constituants : la reconnaissance de mots et la compréhension. En contexte francophone minoritaire, notamment pour les étudiants et les étudiantes en formation initiale des maîtres, lire et comprendre correctement le sens des textes lus en français peut s’avérer une tâche difficile à réaliser. Pourtant, ces futurs enseignants et enseignantes devront évaluer la compréhension en lecture de textes en français de leurs élèves lorsqu’ils seront dans les écoles françaises de l’Ontario. L’objectif de cet article est de déterminer le degré de compréhension en lecture montré par des étudiants en formation initiale des maîtres en milieu francophone minoritaire ontarien par la mise à l’essai d’un outil diagnostique lié à la compréhension en lecture. Les résultats préliminaires montrent que ces étudiants éprouvent davantage de difficulté avec les questions touchant les processus d’intégration et les macroprocessus liés à la lecture. Il sera également question dans cet article de la moyenne obtenue par tous les participants pour les cinq textes lus, des questions ayant reçu le moins de bonnes réponses selon leur catégorie ainsi que des limites de l’étude.
Antibiotic-induced population fluctuations and stochastic clearance of bacteria
Authors: Coates Jessica , Park Bo Ryoung , Le Dai , Şimşek Emrah , Chaudhry Waqas , Kim Minsu
Published: March 2018

Effective antibiotic use that minimizes treatment failures remains a challenge. A better understanding of how bacterial populations respond to antibiotics is necessary. Previous studies of large bacterial populations established the deterministic framework of pharmacodynamics. Here, characterizing the dynamics of population extinction, we demonstrated the stochastic nature of eradicating bacteria with antibiotics. Antibiotics known to kill bacteria (bactericidal) induced population fluctuations. Thus, at high antibiotic concentrations, the dynamics of bacterial clearance were heterogeneous. At low concentrations, clearance still occurred with a non-zero probability. These striking outcomes of population fluctuations were well captured by our probabilistic model. Our model further suggested a strategy to facilitate eradication by increasing extinction probability. We experimentally tested this prediction for antibiotic-susceptible and clinically-isolated resistant bacteria. This new knowledge exposes fundamental limits in our ability to predict bacterial eradication. Additionally, it demonstrates the potential of using antibiotic concentrations that were previously deemed inefficacious to eradicate bacteria.
Global analysis of A-to-I RNA editing reveals association with common disease variants
Authors: Franzén Oscar , Ermel Raili , Sukhavasi Katyayani , Jain Rajeev , Jain Anamika , Betsholtz Christer , Giannarelli Chiara , Kovacic Jason C. , Ruusalepp Arno , Skogsberg Josefin , Hao Ke , Schadt Eric E. , Björkegren Johan L.M.
Published: March 2018

RNA editing modifies transcripts and may alter their regulation or function. In humans, the most common modification is adenosine to inosine (A-to-I). We examined the global characteristics of RNA editing in 4,301 human tissue samples. More than 1.6 million A-to-I edits were identified in 62% of all protein-coding transcripts. mRNA recoding was extremely rare; only 11 novel recoding sites were uncovered. Thirty single nucleotide polymorphisms from genome-wide association studies were associated with RNA editing; one that influences type 2 diabetes (rs2028299) was associated with editing in ARPIN. Twenty-five genes, including LRP11 and PLIN5, had editing sites that were associated with plasma lipid levels. Our findings provide new insights into the genetic regulation of RNA editing and establish a rich catalogue for further exploration of this process.
Lube Products: Molecular Characterization of Base Oils
Authors: Abdul Jameel Abdul G. , Sarathy S. Mani
Published: March 2018

Base oils used in the formulation of lubricant products are a complex mixture of paraffins, isoparaffins, aromatic, and naphthenic (cycloparaffinic) molecules ranging in carbon number from 20 to 40+. Most automotive crankcase oils, accessory fluids, and many industrial lubricants contain in excess of 80% base oil in their ‘finished’ formulation.

The molecular composition of base oils has a major effect on lubricant properties, and its compositional analysis is usually obtained by a two‐step procedure. The first step separates the aromatic and saturated fractions by column chromatography (American Society for Testing and Materials, ASTM D2549). The aromatic fraction is then further characterized by mass spectrometry (ASTM D3239), and the saturated subclasses of paraffins and cycloparaffins are measured by a different mass spectrometry method (ASTM D2786).

Recently, the lube base oils have been characterized at the molecular level by means of nuclear magnetic resonance (NMR) spectroscopy. The conventional NMR spectra have the problem of signal overlap caused by the presence of CH, CH2, and CH3groups due to the great number of isomers in the base oil composition.

To overcome the problem of signal overlap, some selected multiplet subspectral carbon‐13 nuclear magnetic resonance (13C NMR) analyses were developed, and, in particular, gated spin echo (GASPE) and distortionless enhancement by polarization transfer (DEPT) have been applied to obtain quantitative CHnsubspectra in petroleum fractions.

Usually the quantitative data obtained from GASPE, which is a spectral editing technique, has a better accuracy than those from DEPT, and it will be shown how GASPE is applied to study the molecular characteristics of the aliphatic moieties of base oils of a different nature.

On the basis of the GASPE data and of the average molecular mass obtained via vapor pressure osmometry (VPO), the average number of branches (NB) and aliphatic rings can be calculated. Moreover, on the basis of GASPE, the distribution of side chain lengths and the positions of the methyl groups along the straight chain (methyls are the only groups for which the positions are directly obtained from NMR spectra) were obtained. These data are essential in visualizing average molecular structures of different base oil components.

Besides the rich molecular diversity seen in base oils, they also possess high molecular weights (ranging from 300 to 600 Da) along with the presence of sulfur, oxygen, nitrogen, and other heteroatoms. Data from advanced analytical techniques along with the NMR data can be used to get more detailed information about the composition. Techniques such as high‐performance liquid chromatography (HPLC), two‐dimensional gas chromatography (GCxGC), and Fourier transform‐ion cyclotron resonance (FT‐ICR) mass spectrometry have been used to analyze base oil composition and are discussed in the present work.

All these structural features are related to the finished lubricant's performance in both crankcase and industrial applications.
Colors of Inorganic Compounds
Authors: Tilley Richard J.D.
Published: March 2018

An overview of the origin of the colors of inorganic compounds arising from chemical, electron transfer, effects is outlined in this article. Section 2 describes the origin of colors displayed by molecules, including fireworks and flame tests, neon signs, some street lights, and the He–Ne laser. Section 3 includes colors from transition‐metal and lanthanoid cations, particularly crystal‐field colors. This contains information on the gemstones ruby, emerald, and alexandrite, pigments and minerals, including malachite, azurite, and turquoise, as well as inorganic salts. Section 4 is concerned with charge‐transfer colors and contains a description of cation‐to‐cation, anion‐to‐cation, and intra‐anion charge‐transfer processes. Some pigments that are colored by charge transfer, such as ultramarine and Prussian Blue, as well as the origin of Blueprints are covered. Section 5 is focused on the colors owing to the band structure of solids, including insulators, semiconductors, and metals. The generation of color in colorless parent insulators by the formation of defect color centers is outlined. The section also includes a description of the many colors exhibited by inorganic sulfides, historically widely used as pigments, as well as the colors of the coinage metals.
Bandgap Engineering of Stable Lead‐Free Oxide Double Perovskites for Photovoltaics
Authors: Sun Qingde , Wang Jing , Yin Wan‐Jian , Yan Yanfa
Published: March 2018

Despite the rapid progress in solar power conversion efficiency of archetype organic–inorganic hybrid perovskite CH3NH3PbI3‐based solar cells, the long‐term stability and toxicity of Pb remain the main challenges for the industrial deployment, leading to more uncertainties for global commercialization. The poor stabilities of CH3NH3PbI3‐based solar cells may not only be attributed to the organic molecules but also the halides themself, most of which exhibit intrinsic instability under moisture and light. As an alternative, the possibility of oxide perovskites for photovoltaic applications is explored here. The class of lead‐free stable oxide double perovskites A2M(III)M(V)O6 (A = Ca, Sr, Ba; M(III) = Sb3+ or Bi3+; M(V) = V5+, Nb5+, or Ta5+) is comprehensively explored with regard to their stability and their electronic and optical properties. Apart from the strong stability, this class of double perovskites exhibits direct bandgaps ranging from 0.3 to 3.8 eV. With proper B site alloying, the bandgap can be tuned within the range of 1.0–1.6 eV with optical absorptions as strong as CH3NH3PbI3, making them suitable for efficient single‐junction thin‐film solar cell application.
On the Electron‐Transfer Mechanism in the Contact‐Electrification Effect
Authors: Xu Cheng , Zi Yunlong , Wang Aurelia Chi , Zou Haiyang , Dai Yejing , He Xu , Wang Peihong , Wang Yi‐Cheng , Feng Peizhong , Li Dawei , Wang Zhong Lin
Published: March 2018

A long debate on the charge identity and the associated mechanisms occurring in contact‐electrification (CE) (or triboelectrification) has persisted for many decades, while a conclusive model has not yet been reached for explaining this phenomenon known for more than 2600 years! Here, a new method is reported to quantitatively investigate real‐time charge transfer in CE via triboelectric nanogenerator as a function of temperature, which reveals that electron transfer is the dominant process for CE between two inorganic solids. A study on the surface charge density evolution with time at various high temperatures is consistent with the electron thermionic emission theory for triboelectric pairs composed of Ti–SiO2 and Ti–Al2O3. Moreover, it is found that a potential barrier exists at the surface that prevents the charges generated by CE from flowing back to the solid where they are escaping from the surface after the contacting. This pinpoints the main reason why the charges generated in CE are readily retained by the material as electrostatic charges for hours at room temperature. Furthermore, an electron‐cloud–potential‐well model is proposed based on the electron‐emission‐dominatedcharge‐transfer mechanism, which can be generally applied to explain all types of CE in conventional materials.
Product design: A pricing framework accounting for product quality and consumer awareness
Authors: Chan Yuk C. , Fung Ka Y. , Ng Ka M.
Published: March 2018

A systematic framework has been developed to determine the optimal price of a completely new (or existing but improved) chemical product that is being launched (or relaunched) in the presence of a competing product. It has four elements. The first is a pricing model derived from a utility function with constant elasticity of substitution. It accounts for consumers' awareness of the product under consideration and consumer preferences. The second is a set of relationships relating the consumer preferences and the relevant sales data available to a relaunched product to the parameters of the pricing model. In the absence of sales data for a completely new product, the third element is a set of heuristics for choosing a pricing strategy and estimates of the pricing model parameters. The optimal price is finally determined in a profit maximization problem subject to the market size as well as any other constraints. This pricing framework allows simultaneous optimization of product quality and price using product specifications as design variables. It is illustrated with an example on energy drinks. © 2018 American Institute of Chemical Engineers AIChE J, 64: 2462–2471, 2018
A comprehensive approach of the gender bias in occupational cancer epidemiology: A systematic review of lung cancer studies (2003‐2014)
Authors: Betansedi Charles‐Olivier , Vaca Vasquez Patricia , Counil Emilie
Published: March 2018

Background

In occupational epidemiology, a male‐centered perspective often predominates. We aimed to describe current research practices in terms of gender consideration at different stages of epidemiological studies.

Methods

A systematic review of occupational lung cancer publications indexed in PubMed was conducted over the period 2003‐2014. Articles were described according to the sex composition of their study sample.

Results

In 243 studies, 7 (3%) were women‐only, 101 (41%) were mixed, with a disproportionate men‐to‐women ratio (P50 = 3.5; P75 = 12.4). A shift was observed from mixed and unspecified source populations to men‐only final samples. Our results also suggest implicit generalization of results from men‐only studies, a lack of tests of interaction and often unjustified sex‐adjustment for mixed studies.

Conclusions

The lower proportion of women in studies cannot be fully explained by their under‐representation in the target populations, since there were large numbers of women among both potentially exposed workers and patients diagnosed with lung cancer.
An analysis of white‐handed gibbon male song reveals speech‐like phrases
Authors: Terleph Thomas A. , Malaivijitnond S. , Reichard U. H.
Published: March 2018

Objectives

Our goal was to document song phrases of the white‐handed gibbon (Hylobates lar), an Asian ape that produces elaborate songs, often in well‐coordinated male/female duets. We focused on the male coda, which is produced during vocal turn‐taking with one's mate, and particularly its phrases containing rapid spectral and temporal variation, to investigate if modulation rates resemble those of lip‐smacking in other nonhuman primates and human speech rhythm.

Materials and methods

We produced recordings from a large population of wild gibbons. Using terminology consistent with that used to describe vocalizations in other singing species, we analyzed coda phrases, overall coda properties, coda distinctiveness across individuals, and flexibility of phrase production within song bouts.

Results

Our song phrase‐level analysis showed that male codas differed between individuals and increase in complexity within song bouts by the addition of the only two male‐specific phrases of the species’ repertoire. These phrases differ from all others of the species and from vocalizations typical of the larger, nonhuman great apes, in that they contain rapid within‐phrase modulation. Their modulation rates (6.82 and 7.34 Hz) are similar to that of lip‐smacking in other nonhuman primates and speech in humans and, like human speech, are produced exclusively during exhalation. One phrase type (trills) contains multiple notes per exhalation, another characteristic similar to speech but not most primate vocalizations.

Discussion

Our data highlight the complexity and flexibility of gibbon song, and show that particular phrase features likely arose from sexual selection pressures and possess similarities to human speech rhythm.
Egyptian Grave Goods of Kha and Merit Studied by Neutron and Gamma Techniques
Authors: Festa Giulia , Minniti Triestino , Arcidiacono Laura , Borla Matilde , Di Martino Daniela , Facchetti Federica , Ferraris Enrico , Turina Valentina , Kockelmann Winfried , Kelleher Joe , Senesi Roberto , Greco Christian , Andreani Carla
Published: March 2018

Artifacts from the Egyptian grave goods of Kha and Merit preserved at the Museo Egizio in Turin were studied through a combination of non‐destructive and non‐invasive neutron and gamma techniques (namely neutron imaging, neutron diffraction and prompt gamma activation analysis). The results provide unprecedented morphological reconstructions of the inner parts of the two alabaster and metallic vases and their isotopic and phase composition, thereby extending our knowledge of the hitherto unknown content of the vases and their functions.
Photocatalyzed ortho‐Alkylation of Pyridine N‐Oxides through Alkene Cleavage
Authors: Zhou Wang , Miura Tomoya , Murakami Masahiro
Published: March 2018

A photocatalyzed reaction of pyridine N‐oxides with alkenes gives ortho‐alkylated pyridines with cleavage of the carbon–carbon double bond. Benzyl and secondary alkyl groups are incorporated at the ortho position of pyridines in one pot.
Superoxide Stabilization and a Universal KO2 Growth Mechanism in Potassium–Oxygen Batteries
Authors: Wang Wanwan , Lai Nien‐Chu , Liang Zhuojian , Wang Yu , Lu Yi‐Chun
Published: March 2018

Rechargeable potassium–oxygen (K‐O2) batteries promise to provide higher round‐trip efficiency and cycle life than other alkali–oxygen batteries with satisfactory gravimetric energy density (935 Wh kg−1). Exploiting a strong electron‐donating solvent, for example, dimethyl sulfoxide (DMSO) strongly stabilizes the discharge product (KO2), resulting in significant improvement in electrode kinetics and chemical/electrochemical reversibility. The first DMSO‐based K‐O2 battery demonstrates a much higher energy efficiency and stability than the glyme‐based electrolyte. A universal KO2 growth model is developed and it is demonstrated that the ideal solvent for K‐O2 batteries should strongly stabilize superoxide (strong donor ability) to obtain high electrode kinetics and reversibility while providing fast oxygen diffusion to achieve high discharge capacity. This work elucidates key electrolyte properties that control the efficiency and reversibility of K‐O2 batteries.
Multibiomarker response shows how native and non‐native freshwater bivalves differentially cope with heat‐wave events
Authors: Ferreira‐Rodríguez Noé , Fernández Ignacio , Cancela M. Leonor , Pardo Isabel
Published: March 2018

Temperature has a key impact on the physiology, food acquisition, metabolic rate, growth, and reproduction of organisms. Thus, exploring the effects of climate change on species physiology is important for the conservation and management of native and non‐native bivalve species.

In this work, an integrative laboratory approach was used to compare the physiological, cellular, and molecular responses of the native Unio delphinus and the invasive non‐native Corbicula fluminea under a natural heat‐wave event.

Whereas the filtration rate in C. fluminea was clearly affected throughout the whole heat‐wave event (from the heat peak onwards), it was only significantly affected during the heat‐wave climax in U. delphinus, and recovered afterwards.

At the cellular level, lysosomal membrane stability was affected during the heat‐wave climax, but recovered afterwards, in both native and non‐native bivalve species.

At the molecular level, hsp70 and hsp90 gene expression were increased and decreased (respectively) in C. fluminea after the heat wave. In contrast, only hsp90 gene expression decreased in U. delphinus during the climax and after the heat wave.

The present work demonstrates that accurate monitoring of native and non‐native species using an integrated biomarker approach provides new insights into how both species might cope with the expected increase in frequency and intensity of heat events in a global warming context.

Direct and indirect impacts of heat waves have been associated with massive mortalities of both native and non‐native species. Despite present results showing that C. fluminea are more sensitive to heat waves than U. delphinus, massive mortality events might act in favour of C. fluminea as it has a higher reproductive capacity.

Although native freshwater mussel species conservation is already threatened by overexploitation, flow regulation and diversions, habitat destruction, and pollution, it is probably also adversely affected by global warming and the presence of invasive non‐native species, such as C. fluminea.
Conserving fluxes of terrestrial invertebrates to trout in streams: A first field experiment on the effects of cattle grazing
Authors: Saunders W. Carl , Fausch Kurt D.
Published: March 2018

Conserving fluxes of terrestrial invertebrates to streams, which supply about half of the diet of stream fish, is an important goal for aquatic conservation. Riparian land uses such as forestry and grazing could have strong indirect effects on fish, by reducing these prey inputs.

A large‐scale replicated field experiment was conducted in four western US rangeland catchments to test the effects of three levels of cattle grazing in riparian pastures on vegetation, fluxes of invertebrates, trout diets, and trout abundance and biomass. The treatments mimicked common grazing systems.

The grazing treatments reduced riparian vegetation biomass to levels as low as or lower than rotational grazing systems. The most intense treatment also removed two‐thirds of riparian shrubs, thereby reducing overhead cover.

All grazing treatments reduced the inputs of terrestrial and adult aquatic insects to streams, compared with controls, but only reductions caused by the most intense treatment were statistically significant, owing to the high levels of natural variation among control sites. Significant reductions of invertebrate inputs by this treatment during key seasons confirmed that riparian shrubs are an important component in the supply of invertebrates to streams.

All treatments reduced the levels of terrestrial invertebrate prey found in trout diets, by half or more at the end of the experiment. Some reductions appeared to be compensated for by greater foraging of trout on larvae and adults of aquatic invertebrates.

Trout did not respond to reduced prey by adjusting their density or biomass, probably because they were in good body condition, prey inputs were the highest yet recorded to rangeland streams, and trout foraged selectively to buffer the loss.

Conserving fluxes of terrestrial prey to trout in rangeland streams will require the careful management of cattle grazing, especially to sustain riparian shrubs that are likely to serve as sources and vectors for invertebrate inputs to streams.
Impact of small‐ and medium‐sized enterprises sustainability practices and performance on economic growth from a managerial perspective: Modeling considerations and empirical analysis results
Authors: Malesios Chrisovalantis , Skouloudis Antonis , Dey Prasanta Kumar , Abdelaziz Fouad Ben , Kantartzis Apostolos , Evangelinos Konstantinos
Published: March 2018

This study assesses the relationship between social, environmental and operational practices and performance with financial performance, focusing on small‐ and medium‐sized enterprises (SMEs). We seek to establish a relationship between the sustainability and the financial performance of SMEs in economic development, as expressed by the indicators of turnover and business growth. A dataset derived from 119 British, French and Indian firms is used and links between sustainability and the financial performance of SMEs are examined. Bayesian regression modeling was chosen and a model comparison approach was used to assess the robustness of the results to the specific choice of analysis with respect to the shape of the dependent variable's distribution. Overall findings indicate robust regression results especially for the highly significant covariates, but caution should be exercised when interpreting the borderline results. A significant positive association between certain items of sustainability and firms’ financial performance is identified as we found that different indicators of sustainability display associations with the two economic indicators and adoption of the former may influence SME performance.
Essential Oil Composition and Volatile Profile of Seven Helichrysum Species Grown in Italy
Authors: Giovanelli Silvia , De Leo Marinella , Cervelli Claudio , Ruffoni Barbara , Ciccarelli Daniela , Pistelli Luisa
Published: March 2018

Helichrysum genus consists of about 600 species widespread throughout the world, especially in South Africa and in the Mediterranean area. In this study the aroma profile (HS‐SPME) and the EO compositions of seven Helichrysum species (H. cymosum, H. odoratissimum, H. petiolare, H. fontanesii, H. saxatile, H. sanguineum, and H. tenax) were evaluated. All the plants were grown in Italy under the same growth conditions. The volatile constituents, particularly monoterpenes, depended by the plant's genotype and ecological adaptation. This study represents the first headspace evaluation on the selected plants and the results evidenced that monoterpenes represented the main class of constituents in five of the seven species analysed (from 59.2% to 95.0%). The higher content in sesquiterpene hydrocarbons was observed in the Mediterranean species of H. sanguineum (68.0%). Only H. saxatile showed relative similar abundance of monoterpenes and sesquiterpene hydrocarbons. The essential oil composition of the majority of examined species are characterised by high percentage of sesquiterpenes (especially β‐caryophyllene and δ‐cadinene) ranging from 51.3% to 92.0%, except for H. cymosum, H. tenax, and H. sanguineum leaves where monoterpenes predominated (from 51.7% to 74.7%).