bluuebunny/crossref_metadata_2025 huggingface dataset:
Single-molecule photobleaching reveals increased MET receptor dimerization upon ligand binding in intact cells
Authors: Dietz Marina S , Haße Daniel , Ferraris Davide M , Göhler Antonia , Niemann Hartmut H , Heilemann Mike
Published: June 2013

Background

The human receptor tyrosine kinase MET and its ligand hepatocyte growth factor/scatter factor are essential during embryonic development and play an important role during cancer metastasis and tissue regeneration. In addition, it was found that MET is also relevant for infectious diseases and is the target of different bacteria, amongst them Listeria monocytogenes that induces bacterial uptake through the surface protein internalin B. Binding of ligand to the MET receptor is proposed to lead to receptor dimerization. However, it is also discussed whether preformed MET dimers exist on the cell membrane.

Results

To address these issues we used single-molecule fluorescence microscopy techniques. Our photobleaching experiments show that MET exists in dimers on the membrane of cells in the absence of ligand and that the proportion of MET dimers increases significantly upon ligand binding.

Conclusions

Our results indicate that partially preformed MET dimers may play a role in ligand binding or MET signaling. The addition of the bacterial ligand internalin B leads to an increase of MET dimers which is in agreement with the model of ligand-induced dimerization of receptor tyrosine kinases.
The Simcyp Population Based Simulator: Architecture, Implementation, and Quality Assurance
Authors: Jamei Masoud , Marciniak Steve , Edwards Duncan , Wragg Kris , Feng Kairui , Barnett Adrian , Rostami-Hodjegan Amin
Published: June 2013

Developing a user-friendly platform that can handle a vast number of complex physiologically based pharmacokinetic and pharmacodynamic (PBPK/PD) models both for conventional small molecules and larger biologic drugs is a substantial challenge. Over the last decade the Simcyp Population Based Simulator has gained popularity in major pharmaceutical companies (70% of top 40 - in term of R&D spending). Under the Simcyp Consortium guidance, it has evolved from a simple drug-drug interaction tool to a sophisticated and comprehensive Model Based Drug Development (MBDD) platform that covers a broad range of applications spanning from early drug discovery to late drug development. This article provides an update on the latest architectural and implementation developments within the Simulator. Interconnection between peripheral modules, the dynamic model building process and compound and population data handling are all described. The Simcyp Data Management (SDM) system, which contains the system and drug databases, can help with implementing quality standards by seamless integration and tracking of any changes. This also helps with internal approval procedures, validation and auto-testing of the new implemented models and algorithms, an area of high interest to regulatory bodies.
Simultaneous joint inversion of amplitude-versus-offset and controlled-source electromagnetic data by implicit representation of common parameter structure
Authors: Lien Martha
Published: June 2013

I evaluated a simultaneous joint inversion of seismic amplitude-versus-offset (AVO) and controlled-source electromagnetic (CSEM) data for fluid-flow monitoring. A new approach for structure-coupled joint inversion was presented, in which the coupling of the two data types was obtained by allowing for the direct identification of parameter structure that is shared by the different geophysical model parameters. The main idea was to use a composite parameter representation, which enables inversion with respect to the parameter magnitude and parameter structure. In the current application, parameter structure refers to transitions between dominating property values and is represented by the position and shape of the flooding front. Hence, with this approach, the position and shape of the flooding front are inverted for directly, and the coupling between the different data sets is obtained without the inclusion of an additional penalizing term in the objective function. Regularization of the inverse problem is obtained by using a flexible parameterization grid adapted to the resolution power of the available data. This approach is especially suited for problems in which the prior information is limited or highly uncertain. The solution approach is illustrated for two types of coupling: (1) identification of fluid saturation using rock-physics modeling and (2) for structure-coupled joint inversion with respect to P-wave velocity and electric conductivity. Through various synthetic examples in 2D, the proposed approach showed its efficiency for identifying the main features of the fluid distribution within the reservoir. Simultaneously inverting AVO and CSEM data was further seen to give results that were more robust with respect to certain random and more systematic (modeling) errors compared with inverting the data sets separately.
Multimorbidity and mental health: can psychiatry rise to the challenge?
Authors: Langan Julie , Mercer Stewart W. , Smith Daniel J.
Published: June 2013

Multimorbidity - the co-occurrence of two or more long-term conditions in an individual - is highly relevant to psychiatry. Changes to training and a more integrated model of psychiatric and physical healthcare are needed in the future if we are to improve the long-term health of our patients.
Complex needs survey: informing the development of a community recovery and rehabilitation team
Authors: Bekas Stavros
Published: June 2013

Aims and method

To inform the development of a new, recovery-oriented rehabilitation service, identify local needs and create a pathway for appropriate referrals, accelerating the build up of case-load. We surveyed 1353 secondary service users using a purpose-made needs assessment and case identification questionnaire, completed by nominated care coordinators.

Results

Significant unmet need for rehabilitation and recovery-oriented interventions was found. The results were used to invite referrals, create a case-load of 150 and allocate the appropriate resources for the new team.

Clinical implications

The results highlight the untapped recovery potential among users of mainstream secondary mental health services and support investment in rehabilitation at a time of resource restriction. This work also supports a similar, evidence-based approach to targeting appropriate referrals during the development and the early stages of rehabilitation services.
The Multilingual Pleasures of Slavic Worlds: Sacher-Masoch, Franzos, Freud
Authors: Dwyer Anne
Published: June 2013

This essay investigates the linguistic play and geopolitical scenarios in the work of Austrian writer Leopold von Sacher-Masoch (author of Venus in Furs and the man who gave his name to “masochism”) and his younger contemporary, the German-Jewish writer Karl Emil Franzos. Both men grew up in the Eastern borderlands of the Habsburg Empire, in the Crownland of Galicia, which was inhabited by Ukrainians, Jews, and Poles. A third figure with a distinctly Habsburg imperial biography, Sigmund Freud, provides both techniques for reading and serves as a subject of analysis in his own right. Drawing on a psychoanalytic toolbox, this essay develops a provincial reading of psychosexual and geopolitical fantasies in these writers' work within the context of Austrian culture after Austria's defeat to Prussia (1866) and subsequent German unification (1871). The analysis devotes special attention to the linguistic origins of Sacher-Masoch's favored fetish object, the fur-lined kazabaika. Sacher-Masoch's particular brand of fetishism, this essay argues, is a form of resistance to the procrustean bed of national identity in favor of an aestheticized and idealized vision of imperial multiplicity. This article aspires to remind twenty-first-century critics that Freudian psychoanalysis was born at the border and emerged from the interstices of multiple languages, religions, and nationalities. In the Habsburg imperial setting where psychoanalytic thinking first took hold, the psychoanalytic subject and the syntax of the fantasy were always emphatically multilingual and cross-cultural.
Sleepwalking Certainties: Agency, Aesthetics, and Incapacity in W. G. Sebald's Austerlitz and Hermann Broch's The Sleepwalkers
Authors: Thomson Stephen
Published: June 2013

When we first encounter the narrator of Austerlitz, he is wandering around the unfamiliar town of Antwerp with, he tells us, “unsicheren Schritten” (1; 9). As well as reflecting the unfamiliarity of the locale, these “uncertain steps” evince a proud modesty characteristic of the classic Sebaldian narrator, a wanderer who discreetly relays the stories of the people and places he is privileged to encounter. Although Sebald does not use the phrase, steps of this sort, unpurposed yet unerring, are made with what is commonly known in German as somnambule Sicherheit: the legendary surefootedness of the sleepwalker. The convergence of sleepwalking and certainty in a single phrase poses an interesting challenge to one of the central tenets of the English-language canonization of Sebald, for his writing has been most highly valued for its ability to move the reader through apparent certainties towards a salutary uncertainty. But somnambule Sicherheit also presents the possibility that the current may be reversed, that narrative may move under cover of uncertainty towards certainty. That Sebald criticism has not been more troubled by this possibility is in no small part due to the fact that it tends to deploy the notion of sleepwalking with a minimum of reflection on its theoretical ramifications. To evoke some of the complexities of this matter, I first offer a brief cultural history of sleepwalking, as well as a brief account of the topic of uncertainty in Sebald criticism. Most of my argument, however, involves an extended comparative analysis of sleepwalking in Sebald's Austerlitz and Hermann Broch's 1933 trilogy The Sleepwalkers. Although these writers have not previously been the object of any sustained comparison, sleepwalking in Broch's novels illuminates much that is left implicit on the topic in Sebald's fiction and points toward some difficult questions regarding the role of aesthetics and agency in Sebald's work.
America's First Slave Revolt: Indians and African Slaves in Española, 1500–1534
Authors: Stone Erin Woodruff
Published: June 2013

On Christmas Day 1521, in the Spanish colony of Santo Domingo, the first recorded slave revolt in the Americas occurred. A group of African, likely Wolof, slaves came together with native Indians led by the Taíno cacique Enriquillo to assert their independence. Beyond being the first slave revolt in the Americas, it was also one of the most important moments in Colonial American history because it was the first known instance when Africans and Indians united against their Spanish overlords in the Americas. Little scholarship exists that focuses on the event, and what does exist concentrates on either the Indian or the African revolt without linking the two events. By overlooking the revolt and its origins, Latin American historiography perpetuates the portrayal of Española as a stepping stone or “antechamber” to the conquest of Mexico or Peru, only focusing on the initial discovery by Christopher Columbus before leaving the Caribbean behind. This essay addresses these silences by carefully examining the evolution of colonial society on Española using sources found in the Archivo General de Indias and recent archaeological studies. Among the themes I analyze in my article are the scope and meaning of the early indigenous slave trade; the greater social, political, and cultural impact of the Caribbean slave trade from 1500 to 1530; the factors that prompted both the Indians and Africans to revolt; and the roles played by the various religious groups on the island. This essay will serve as a case study of an event when Africans and Indians joined against a common enemy, thereby gaining their own agency and power. In the end, this study will be applicable to the larger Spanish colonial experience of cultural hybridization and the African and Indian diasporas.
Diplomacy and Contestation before and after the 1870 Massacre of Amskapi Pikuni
Authors: Tovías Blanca
Published: June 2013

In a surprise dawn attack in January 1870, the US Army massacred 173 men, women, and children from Chief Heavy Runner's Amskapi Pikuni (Piegan/Blackfoot) band at their winter camp on the Marias River in Montana. The massacre capped a decade of violence between the Blackfoot and whites in Montana that was dubbed the “Piegan wars.” This essay explores a dimension that has not hitherto received sufficient attention: the simultaneous deployment of diplomacy and contestation in the relationship between the Blackfoot divisions (Pikuni, Kainai and Siksika) and the Americans during the 1860s. It views the massacre against the background of a long history of Blackfoot-American relations in order to assess why Blackfoot diplomatic maneuvers failed in this instance. Blackfoot leaders signed three peace treaties (1855, 1865, and 1868) with the United States, each of which decreased the size of Blackfoot territory. When the Civil War interrupted the payment of treaty annuities in 1863, young Blackfoot men increasingly targeted horses belonging to whites in their raids. The raids had been deployed as a compensatory mechanism meant to restore balance for trespasses against the Blackfoot, a strategy also employed in inter- and intratribal relations. Since they first acquired horses in the early eighteenth century, the Blackfoot regarded them highly as possessions as well as commodities of exchange. A gift of horses to an aggrieved party precluded the creation of damaging feuds. In the 1860s, horse stealing was a means by which the Blackfoot bands could ensure their own viability and survival within a complex intratribal, intertribal, intercultural, and international political context. The article emphasizes the triggers for the breakdown of Blackfoot-American relations that culminated in the massacre on the Marias.
5,10-Dihydrobenzo[a]indolo[2,3-c]carbazole: A Highly Fluorescent Disk-shaped Electron Donor Exhibiting Dual UV–vis–NIR and Fluorescence Spectral Changes upon Electrolysis
Authors: Suzuki Takanori , Tokimizu Yusuke , Sakano Yuto , Katoono Ryo , Fujiwara Kenshu , Naoe Saori , Fujii Nobutaka , Ohno Hiroaki
Published: June 2013

Through gold(I)-catalyzed cascade cyclization as a key step, the title electron donor was prepared, which adopts a planar geometry, as confirmed by an X-ray analysis. Due to 1,4-phenylenediamine moiety incorporated in the framework, it undergoes reversible one-electron oxidation. Upon electrolysis, it exhibited an electrochromic response in the UV–vis–NIR region, which was accompanied by a drastic change in the fluorescence spectrum since only the neutral donor is highly fluorescent.
Reason to Care: The Object and Structure of Self-Knowledge in the Alcibiades I
Authors: Remes Pauliina
Published: June 2013

In Alcibiades 1, the object of self-knowledge is approached as a special case because of its interrelations within the polis. But can such a Platonic principle as the priority of definition - knowing what a thing is before one can say anything else that is auhoritative about it - be applied to the object of self-knowledge? The dialogue strives to individuate one aspect of human nature as focal. This is not a divinity outside human agency, but the soul under that aspect that makes it the agent of purposeful action and subject of her own talk and reasoning, worthy of our care.
Effect of Thermal Shock on Grindability of Zircon for Preparation of Zircon Flour
Authors: Routray Sunita , Bhima Raog R.
Published: June 2013

This paper deals with the effect of thermal shock treatment on grindability and grinding characteristics of zircon minerals and the overall energy saving achieved. This attempt is made due to a fine dry grinding of zircon minerals to produce zircon flour is an energy intensive operation. The effect of grinding time on grinding of zircon minerals in a continuously agitated rod mill indicate that the time required is 170 minutes for obtaining 75% of particles passing 45 µm size for natural zircon mineral whereas for thermally treated zircon it is only 100 minutes to achieve the same. Hence, 70 minutes of grinding time is saved. The work index test results show that 13.3% of the total energy can be saved when a sample is preheated to 850 °C and subjected to thermal shock treatment. The effect is due to the development of numerous micro-cracks and fractures in samples subjected to thermal shock.
Wie aus Gedanken Dinge werden. Eine Philosophie der Artefakte
Authors: Reicher Maria E.
Published: June 2013

The aim of this paper is an ontological clarification of the concept of artefact. The following questions are addressed: 1. Do artefacts constitute an ontological category of objects in its own right, and if so, how could this category be characterized? 2. How do artefacts come into existence? 3. What kind of artefacts are there, and in which relations do they stand to each other? It is argued that artefacts are characterized essentially through their genesis and that they owe their existence to mental acts of a particular kind, which I call “acts of creation”. It is maintained that there are not only concrete, material artefacts, but also abstract artefacts, that is, artefacts that cannot be perceived through the senses and are not located in space. Furthermore, it shall be claimed that in a sense those abstract artefacts are even primary to the concrete, material artefacts.
Artefakte
Authors: van Inwagen Peter
Published: June 2013

In this section (i. e. section 13) of his monograph Material Beings, first published in 1990, the author discusses certain sentences – sentences such as “This house has stood here for three hundred years” – that are usually discussed in connection with “the problem of identity through time”. It is argued that these sentences cannot have any very intimate connection with that problem (whatever exactly that problem may be), for there are – as the author suggests by proposing an answer to the so-called Special Composition Question – no such things as houses or other artefacts, and thus there is no problem about their persistence through time.
Warum sich Artefakte ihrer Marginalisierung widersetzen
Authors: Jansen Ludger
Published: June 2013

It is widespread practice to define artefacts as entities that owe their existence to plan-based acts of production that aim at a certain use of the produced thing. According to this definition, artefacts are essentially intention-dependent. For this reason, artefacts are threatened by marginalisation within standard naturalised ontologies. I discuss three families of marginalisation strategies: elimination, reduction and supervenience. I argue that all of these strategies fail, as they lead to false implications, with the possible exception of four-dimensional supervenience, which might well be true, but remains completely uninformative in respect to artefacts. The crucial issue in this regard is what Peter van Inwagen calls the Duplication Principle which is undermined by thought experiments involving chance entities or duplication. Hence, materialistic ontologies are not, as Peter van Inwagen wants us to believe, a Copernican revolution in ontology; they are simply not adequate for the domain of artefacts.
Walter Benjamin als Gemeinplatz. Auswege aus der Kristallisation der Benjamin-Rezeption von Lateinamerika aus
Authors: Buchenhorst Ralph
Published: June 2013

The study at hand critically approaches tendencies of routine and sluggishness in the recent reception of Walter Benjamin’s writings, highlighting and explaining apologetic interpretations in studies which limit themselves to explain the internal logic of Benjamin’s concepts. To that end, it first casts a glance at the debate on how to faithfully translate these concepts. In a second step, it scrutinizes contributors to subaltern studies who use elements of Benjamin’s “pre-history of modernity” in their attempt to uncover historical differences in the process of globalization. To examine their strategies, the present article draws on Latin American perspectives on Benjamin and their attempts to globalize and de-colonize his work.
Inequality, Well-Being and Happiness in Historical Perspective
Authors: Hesse Jan-Otmar , Spoerer Mark
Published: June 2013

Happiness research is a comparably new field of economics. Until Richard Easterlin’s seminal contribution published in 1974, most economists believed there to be a clear and positive correlation between the material standard of living and subjective well-being (or happiness). Economic happiness research has found that, although income matters, inequality, other economic and non-economic factors also play an important role in subjective well-being. Although economic happiness research usually requires longitudinal data, there has so far been no cooperation with economic history.

We argue that contact between these fields might be mutually beneficial to both sides. On the one hand, economic historians are experts on historical datasets and qualitative sources and can assist economists in their quest for information prior to the 1980s. On the other hand, the results of happiness research are valuable for analyzing problems in (economic) history for which traditional economic theory has proved to be insufficient.
Crystal structure of bis(4,5-dihydro-4,4,5,5-tetramethyl-2-(2'-pyridyl- κN)-imidazol-1-oxyl-3-oxide-κO-tris(nitrato-k2O,O')europium(III), C24H32EuN9O13
Authors: Li Dong-Jiao
Published: June 2013

C24H32EuN9O13, monoclinic, P21/n (no. 14), a = 12.337(4) Å, b = 11.093(4) Å, c = 23.317(7) Å, β = 98.331(5)°, V = 3157.4 Å3, Z = 4, Rgt(F) = 0.0431, wRref(F2) = 0.1104, T = 293 K.
Crystal structure of 4,4'-(propane-1,3-diyl)bis(pyridin-1-ium)[4-(3,5- dicarboxyphenoxy)-3-nitrobenzoate], (C13H14N2)(C15H9NO9)2, C43H32N4O18
Authors: Liu Yuan-Ying , Guo Jin-Fu , Li Hui-Yun , Zhao Guo-Yan
Published: June 2013

C43H32N4O18, monoclinic, C2/c (o. 15), a = 22.409(3) Å, b = 8.280(1) Å, c = 22.146(3) Å, β = 105.242(1)°, V = 3964.7 Å3, Z = 4, Rgt(F) = 0.0482, wRref(F2) = 0.1411, T = 296 K.
Crystal structure of 2,6-dimethoxy-4-((4-(N-(6-methoxypyrimidin-4-yl)- sulfamoyl)phenyl)carbamoyl)phenyl acetate, C22H22N4O8S
Authors: Pan Wei-Gao , Miao Jian-Hua , Xiong Jun , Luo Peng , Lin Cui-Wu
Published: June 2013

C22H22N4O8S, triclinic, P1¯ (no. 2), a = 8.730(1) Å, b = 9.730(1) Å, c = 14.220(2) Å, α = 97.970(2)°, β = 92.606(2)°, γ = 100.195(2)°, V = 1174.3 Å3, Z = 2, Rgt(F) = 0.0477, wRref(F2) = 0.1357, T = 296 K.
Crystal structure of trans-diiodidobis(4-phenylpyridine-κN)platinum(II), C22H18I2N2Pt
Authors: Ha Kwang
Published: June 2013

C22H18I2N2Pt, monoclinic, P21/c (no. 14), a = 9.072(2) Å, b = 9.158(2) Å, c = 13.169(2) Å, β = 107.281(3)°, V = 1044.8 Å3, Z = 2, Rgt(F) = 0.0319, wRref(F2) = 0.0727, T = 200 K.
Analytical tools for speciation in the field of toxicology
Authors: Bresson Carole , Chartier F. , Ansoborlo Eric , Ortega R.
Published: June 2013

The knowledge of the speciation of elements at trace and ultra-trace level, in biological and environmental media is essential to acquire a better understanding of the mechanisms of toxicity, transport and accumulation in which they are involved. Determining the speciation of an element in a given medium is challenging and requires the knowledge of different methodological approaches: the calculation approach and the experimental approach through the use of dedicated analytical and spectroscopic tools. In this framework, this mini-review reports the approaches to investigate the speciation of elements in biological and environmental media as well as the experimental techniques of speciation analysis, illustrated by recent examples. The main analytical and spectroscopic techniques to obtain structural, molecular, elemental and isotopic information are described. A brief overview of separation techniques coupled with spectrometric techniques is given. Imaging and micro-localisation techniques, which aim at determining the in situ spatial distribution of elements and molecules in various solid samples, are also presented. The last part deals with the development of micro-analytical systems, since they open crucial perspectives to speciation analysis for low sample amounts and analysis on field.
Solution thermodynamic evaluation of hydroxypyridinonate chelators 3,4,3-LI(1,2-HOPO) and 5-LIO(Me-3,2-HOPO) for UO2(VI) and Th(IV) decorporation
Authors: Sturzbecher-Hoehne M. , Deblonde G. J.-P. , Abergel R. J.
Published: June 2013

Solution thermodynamic studies were performed to characterize the coordination of U(VI) and Th(IV) by the multidentate hydroxypyridinonate chelating agents 3,4,3-LI(1,2-HOPO) and 5-LIO(Me-3,2-HOPO). Species distribution and conditional stability pM profiles were calculated based on the determined formation constants, showing that both ligands form extremely stable uranyl and thorium complexes in solution. At physiological pH, the formation of 1:1 ligand:uranyl complexes is favored for both ligands, while a 2:1 ligand:thorium complex is predominant with the tetradentate 5-LIO(Me-3,2-HOPO). Comparisons with functionally similar bidentate ligands as well as with the common actinide chelator diethylenetriamine pentaacetic acid emphasized the superior affinity for U(VI) and Th(IV) of both experimental compounds over a wide pH range. These analytical results corroborate the in vivo chelation efficacy of 3,4,3-LI(1,2-HOPO) and 5-LIO(Me-3,2-HOPO) and validate their selection for further development as therapeutic actinide decorporation agents.
Temperature-dependent evolution of RbBSi2O6 glass into crystallineRb-boroleucite according to X-ray diffraction data
Authors: Levin Aleksandr A. , Filatov Stanislav K. , Paufler Peter , Bubnova Rimma S. , Krzhizhanovskaya Maria G. , Meyer Dirk C.
Published: June 2013

The temperature-dependent evolution of the glass into a crystalline phase is studied for a rubidium borosilicate glass of composition 16.7 Rb2O · 16.7 B2O3 · 66.6 SiO2 employing X-ray diffraction (XRD) data. A glass sample was prepared by melt quenching from 1500°С within 0.5 hour. The glass sample was step-wise annealed at 13 distinct temperatures from 300 °C up to 900 °C for 1 h at every annealing step. To investigate changes in the glass structure, angle-dispersive XRD was applied by using an energy-resolving semiconductor detector. The radial distribution functions (RDFs) were calculated at every stage. For polycrystalline states the crystal structure of the samples with different thermal history was refined using the Rietveld method. Comparing correlation distances estimated from RDFs of glass and polycrystalline samples and mean interatomic distances calculated for polycrystalline samples by using atomic coordinates after Rietveld refinement, it is concluded that the borosilicate glass under study is converted into the crystalline state in the temperature range of 625–750 °C (i.e. in the temperature range close to the glass transition range 620–695 °C as determined by differential scanning calorimetry by using of heating rate of 20 K/min) at an average heating rate of about 0.35 K/min. When the heating rate is increased up to 10 or 20 K/min, the crystallisation temperature shifts sharply up to 831–900 °C and 878–951 °C, respectively. XRD data give evidence that distinctive traces of cubic RbBSi2O6 appear from glass at about 625 °C and a two-phase range exists up to 750 °C. After annealing at higher temperatures (800–900 °C) the crystal structure practically does not change any more.
Immobilization and Characterization of RuCl2(PPh3)3 Mesoporous Silica SBA-3
Authors: Grünberg Anna , Gutmann Torsten , Rothermel Niels , Yeping Xu , Breitzke Hergen , Buntkowsky Gerd
Published: June 2013

The five-fold coordinated ruthenium (II) catalyst RuCl2(PPh3)3 is heterogenized on the surface of amine functionalized mesoporous silica material SBA-3 and studied by BET, XRD and 31P CP-MAS solid-state NMR. The spectra indicate the replacement of one or two of the triphenyl-phosphine groups in the course of the grafting. To distinguish between both possibilities two-dimensional J-resolved 31P MAS solid-state NMR combined with quantum chemical calculations is employed. The changes of the scalar coupling pattern between the neat catalyst and the immobilized catalyst suggest the replacement of two of the PPh3-groups by coordinative bonds to the amine-functions of the linker. DFT calculations reveal the absence of two chemically and magnetically equivalent phosphines and confirm the replacement of two PPh3-groups. This finding is similar to the results observed for the binding of the rhodium in the Wilkinson's catalyst, despite the different coordination of the metals (four-fold versus five-fold), the presence of two chlorine ligands and the different transition metal.
Perspectives by Incongruity
Authors: Palmié Stephan
Published: June 2013

Aside from discussing the three articles in this special issue of Nova Religio on Religion and the Transnational Imagination, these brief comments aim to make a critical plea for conceptual clarification when it comes to what exactly the relatively novel, and arguably under-theorized term “transnational” might possibly mean when yoked to the historically old, but arguably equally problematic category, “religion.” My main argument is, if for different (though ultimately not altogether unrelated) reasons, both terms—at least as currently operationalized in much of the anthropology of religion, and religious studies more generally—not only fail to capture the social realities reported in the essays in this special issue, but also unhelpfully shore up a set of ideologies about the supposedly “novel” nature of our “globalized” human condition, that we might better rethink.
African-American Mothers' Community Social Capital and Parenting Quality: Does Personal Outlook Make a Difference?
Authors: Wallace Gail
Published: June 2013

This study examined community characteristics as predictors of parenting quality among African-American mothers. Residential stability and social capital are defined as positive features of community social organization, especially in areas with high concentrations of poor, single, African-American mothers with children. In residentially stable communities, members are able to form social ties to community, and this helps community members build social resources in the form of social capital. Among the 759 African-American mothers who participated in the Family and Community Health Study (FACHS), there was a positive and direct relationship from perceptions of community social capital and organizational group participation to parenting quality. Personal outlook did not mediate the relationship between any of the social capital study variables (residential stability, perceptions of social capital, and organizational group participation) and parenting quality. To the contrary, personal outlook was significantly related to parenting quality among these mothers' net effect of the main study variables and an extensive set of community- and individual-level social and demographic control variables.
Studying Recombination with High-Throughput Sequencing: An Educational Primer for Use with “Fine-Scale Heterogeneity in Crossover Rate in the garnet-scalloped Region of the Drosophila melanogaster X chromosome”
Authors: Heil Caiti S Smukowski , Noor Mohamed A F
Published: June 2013

An article by Singh and colleagues in this issue of GENETICS quantifies variation in recombination rate across a small region of the Drosophila melanogaster genome, providing an opportunity for instructors of genetics to introduce or reinforce important concepts such as recombination and recombination rate variation, genome sequencing, and sequence features of the genome. Additional background information, a detailed explanation of the methods used in this study, and discussion questions are provided.

Related article in GENETICS: Singh, N. D., E. A. Stone, C. F. Aquadro, and A. G. Clark, 2013 Fine-scale heterogeneity in crossover rate in the garnet-scalloped region of the Drosophila melanogaster X chromosome. Genetics 194: 375–387.
The Modest Beginnings of One Genome Project
Authors: Kaback David B
Published: June 2013

One of the top things on a geneticist’s wish list has to be a set of mutants for every gene in their particular organism. Such a set was produced for the yeast, Saccharomyces cerevisiae near the end of the 20th century by a consortium of yeast geneticists. However, the functional genomic analysis of one chromosome, its smallest, had already begun more than 25 years earlier as a project that was designed to define most or all of that chromosome’s essential genes by temperature-sensitive lethal mutations. When far fewer than expected genes were uncovered, the relatively new field of molecular cloning enabled us and indeed, the entire community of yeast researchers to approach this problem more definitively. These studies ultimately led to cloning, genomic sequencing, and the production and phenotypic analysis of the entire set of knockout mutations for this model organism as well as a better concept of what defines an essential function, a wish fulfilled that enables this model eukaryote to continue at the forefront of research in modern biology.
Changing prevalence ofHelicobacter pyloriinfection in the 9th district of Budapest. A retrospective endoscopic study, 1997–2012
Authors: Buzás György Miklós , Lotz Gábor , Schneider Ferenc , Józan Jolán
Published: June 2013

Background: The prevalence of Helicobacter pylori infection in developed countries is decreasing. The time-frame of this process is largely unknown. Aim: The aim of the authors was to evaluate the changes in the prevalence of Helicobacter pylori infection in their endoscopic centre. Methods: This retrospective study included 4647 patients examined between 1997 and 2012. Helicobacter pylori was determined from antral and corpus biopsies by the modified Giemsa stain and rapid urease test. The prevalence of the infection was calculated yearly for the period studied, for age decades from 18 to 85 years, birth cohorts of 10 years from 1920 to 1994 and according to diagnosis. Results: The overall prevalence of Helicobacter pylori infection was 54.7%, which decreased from 71.3% in 1997 to 32.76% in 2011. Functional dyspepsia was found in 37.9%, duodenal ulcer in 25.3%, gastric ulcer in 3.8% and reflux disease in 24.2% of the patients. The mean prevalence of infection was 62.5% in birth cohorts of 10 years between 1920 and 1959, 57.4% in those between 1960 and 1969, and decreased to 39.0% and 26.7% in birth cohorts between 1970 and 1979) and between 1980 and 1989, respectively. According to age cohorts, the prevalence was 21.8% 34.9%, 46.5%, 63.7%, 63.2% and 59.2% in patients aged 18–19 years, 20–29 years, 30–39 years, 40–49 years, 50–59 years and 60–69 years, respectively. The proportion of H. pylori positive duodenal ulcers decreased from 95.9% in 1998 to 59.1% in 2011 (p = 0.001). Conclusions: The prevalence of Helicobacter pylori infection in the 9th district of Budapest is decreasing, especially in cohorts born in the late 1960s and 1970s, nearly 1.5 decades before the discovery of the bacterium. Orv. Hetil., 2013, 154, 900–907.
Progress in Chromogenic Materials and Devices: New Data on Electrochromics and Thermochromics
Authors: Granqvist C. G. , Li S.-Y. , Pehlivan İ. Bayrak , Niklasson G. A.
Published: June 2013

Electrochromic (EC) and thermochromic (TC) materials are of much interest for “smart” windows which combine energy efficiency with the provision of indoor comfort. This paper summarizes results from several recent studies related to nanoparticles of transparent and electrically conducting ITO (i.e., In2O3:Sn) and of thermochromic VO2. Specifically, we consider (i) the use of ITO nanoparticles in polaronic EC devices in order to suppress near-infrared solar transmittance, (ii) performance limits for plasmonic EC devices embodying ITO nanoparticles, and (iii) ITO-VO2-based nanocomposites with joint low thermal emittance and TC properties, and with Mg-doping of the VO2 as a means for boosting the luminous transmittance. Both experimental and theoretical results are presented.
The Elements of Magnetics
Authors: Constantinides Steve
Published: June 2013

The 20th century saw rapid and dramatic improvements in permanent magnet materials. It has been 31 years since the discovery of neodymium-iron-boron and numerous companies and laboratories are seeking to produce a new and superior material. Topics discussed herein are material options, economics of selected materials and market drivers in material selection. Market issues include manufacturability by shape, size, and material yield; raw material supply including cost and dependability of the supply chain; raw material and magnet product price stability; development of applications based on commercial needs, government legislation and consumer demand. “Need is the mother of invention” and no discussion would be complete without covering why a new material would be beneficial from an applications point of view especially in energy production and consumption. Therefore, an introduction will be provided for select, major applications using permanent magnets and the growth forecasts for these.
Graphene Research in China
Authors: Chen Kexin
Published: June 2013

Graphene, a monolayer of sp2-bonded carbon atoms, has been attracting worldwide interests because of its unique two-dimensional structure, various fascinating properties and a wide range of intriguing potential applications. The graphene research is very active in China and has been developing rapidly in the past few years, which covers nearly all the areas related to graphene including theories, synthesis, physical and chemical properties, and applications. Over 100 research institutions have been involved in graphene research with fast-growing project supports. In this paper, the status of graphene research in China is first discussed based on the number of publications and patents as well as the institutions involved. Then the projects and fundings from both government and companies for graphene research are briefly introduced. Finally, the highlights of graphene research in China are reviewed, which include chemical vapor deposition growth and transfer, mass production, and assembly of graphene, and its applications in energy storage, sensing, composites and solar cells.
Nanostructuration of Cr/Si layers induced by ion beam mixing
Authors: Luneville L. , Largeau L. , Deranlot C. , Moncoffre N. , Serruys Y. , Ott F. , Baldinozzi G. , Simeone D.
Published: June 2013

This work clearly demonstrates that the X Ray Reflectometry technique (XRR), extensively used to assess the quality of microelectronic devices can be a useful tool to study the first stages of ion beam mixing. This technique allows measuring the evolution of the Si concentration profile in irradiated Cr/Si layers. From the analysis of the XRR profiles, it clearly appears that the Si profile cannot be described by a simple error function.
Simulating Radiation-Induced Defect Formation in Pyrochlores
Authors: Gunn David S.D. , Purton John A. , Todorov Ilian T.
Published: June 2013

The accuracy and robustness of new Buckingham potentials for the pyrochlores Gd2Ti2O7 and Gd2Zr2O7 is demonstrated by calculating and comparing values for a selection of point defects with those calculated using a selection of other published potentials and our own ab inito values. Frenkel pair defect formation energies are substantially lowered in the presence of a small amount of local cation disorder. The activation energy for oxygen vacancy migration between adjacent O48f sites is calculated for Ti and Zr pyrochlores with the energy found to be lower for the non-defective Ti than for the Zr pyrochlore by ∼0.1 eV. The effect of local cation disorder on the VO48f → VO48f migration energy is minimal for Gd2Ti2O7, while the migration energy is lowered typically by ∼43 % for Gd2Zr2O7. As the healing mechanisms of these pyrochlores are likely to rely upon the availability of oxygen vacancies, the healing of a defective Zr pyrochlore is predicted to be faster than for the equivalent Ti pyrochlore.
Helium Bubbles in Fe: Equilibrium Configurations and Modification by Radiation
Authors: Gai Xiao , Smith Roger , Kenny Steven
Published: June 2013

We have examined the properties of helium bubbles in Fe using two different Fe-He potentials. The atomic configurations and formation energies of different He-vacancy complexes are determined and their stability in the region of nearby collision cascades is investigated. The results show that the optimal He to Fe vacancy ratio increases from about 1:1 for approximately 5 vacancies up to about 4:1 for 36 vacancies. Collision cascades initiated near the complex show that Fe vacancies produced by the cascades readily become part of the He-vacancy complexes. The energy barrier for an isolated He interstitial to diffuse was found to be 0.06 eV. Thus a possible mechanism for He bubble growth would be the addition of vacancies during a radiation event followed by the subsequent accumulation of mobile He interstitials produced by the corresponding nuclear reaction.
Removal of Lead Ions in an Aqueous Medium with Activated Carbon Fibers
Authors: Ramírez-Rodríguez Teresa , Castillo-Alvarado Fray de Landa
Published: June 2013

Poly(acrylonitrile) fibers are used in the manufacture of activated carbon fibers, which are activated with phosphate groups for the removal of lead ions in aqueous solutions. Removal of lead ions is performed in a water bath at 30°C. Trough isotherm models of Langmuir and Freundlich analyzed the aqueous solution. Kinetic analysis is performed using the model pseudo-first and pseudo-second order. The result show that adsorption equilibrium is adjusted to the Freundlich model and the kinetic model of pseudo-second order led to the best fit correlation.
Finite Element Simulation of Steel Quench Distortion- Parametric Analysis of Processing Variables
Authors: García-Pastor F. A. , López-García R.D. , Alfaro-López E. , Castro-Román M. J.
Published: June 2013

Steel quenching from the austenite region is a widely used industrial process to increase strength and hardness through the martensitic transformation. It is well known, however, that it is very likely that macroscopic distortion occurs during the quenching process. This distortion is caused by the rapidly varying internal stress fields, which may change sign between tension and compression several times during quenching. If the maximum internal stress is greater than the yield stress at given processing temperature, plastic deformation will occur and, depending on its magnitude, macroscopic distortion may become apparent.

The complex interaction between thermal contraction and the expansion resulting from the martensitic transformation is behind the sign changes in the internal stress fields. Variations in the steel composition and cooling rate will result in a number of different paths, which the internal stresses will follow during processing. Depending on the route followed, the martensitic transformation may hinder the thermal stresses evolution to the point where the stress fields throughout the component may actually be reverted. A different path may support the thermal stresses evolution further increasing their magnitude. The cross-sectional area also affects the internal stresses magnitude, since smaller areas will have further trouble to accommodate stress, thus increasing the distortion. Additionally, the bainitic transformation occurring during relatively slow cooling rates may have an important effect in the final stress field state.

A finite-element (FE) model of steel quenching has been developed in the DEFORM 3D simulation environment. This model has taken into account the kinetics of both austenite-bainite and austenite-martensite transformations in a simplified leaf spring geometry. The results are discussed in terms of the optimal processing parameters obtained by the simulation against the limitations in current industrial practice.
Phase Formation at Selective Laser Synthesis in Al2O3–TiO2-Y2O3 Powder Compositions
Authors: Vlasova M. , Kakazey M. , Márquez-Aguilar P. A. , Ragulya A. , Stetsenko V. , Bykov A.
Published: June 2013

The phase formation in the zone of directional laser irradiation of compacted Al2O3–TiO2–Y2O3 mixtures has been investigated. It is established that phase formation is carried out within the framework of binary mixtures Al2O3 – Y2O3 and Y2O3 – TiO2.
Investigation of a Nanoporous Gold / TiO2 Catalyst by Electron Microscopy and Tomography
Authors: Frank Kristian , Wichmann Andre , Wittstock Arne , Bäumer Marcus , Mädler Lutz , Rosenauer Andreas
Published: June 2013

Nanoporous gold is a material with many possible applications e.g. in catalysts, sensors and electrode materials. We studied the functionalization of the nanoporous gold with TiO2 particles. Aiming at the low temperature oxidation of CO, the nanoporous gold can be coated with TiO2 in order to enhance catalytic activity. Structure and distribution of the TiO2 on the gold surface are important structural features, which were investigated by transmission electron microscopy. The preparation of the porous gold was tested with focused ion beam - preparation, conventional Ar+ ion beam preparation of nanoporous gold embedded in epoxy and ultramicrotome preparation of nanoporous gold embedded in epoxy. Considering the beam damage on the structure and the contamination of the surface, ultramicrotome preparation turned out to be the best solution. It was shown, that the gold ligaments are abundantly covered by approximately 5 nm TiO2 particles. The determination of the largest lattice fringe distance in high resolution mode revealed that the crystalline nanoparticles consist of the anatase phase. The spatial Ti distribution was measured with energy filtered transmission electron microscopy. Scanning transmission electron microscopy tomography was applied to reconstruct the three-dimensional structure of the gold coated with TiO2 particles.
Broad-band, High-efficiency Optical Absorbers Derived From Carbon Nanomaterials
Authors: Kaul Anupama B. , Coles James , Eastwood Michael , Green Robert , Bandaru Prabhakar
Published: June 2013

Optical absorption efficiency, an important metric for sensing, radiometric and energy harvesting applications, has been studied theoretically and experimentally in porous, ordered nanostructures, including multi-walled- (MW) carbon nanotubes (CNTs) and single-walled- (SW) CNTs. We have characterized the absorption efficiencies in the 350 nm -7000 nm wavelength range of vertically aligned MWCNT arrays with high site densities synthesized directly on metallic substrates using a plasma-enhanced (PE)- chemical vapor deposition (CVD) process. Our ultra-thin absorbers exhibit a reflectance as low as ∼ 0.02 % (100 X lower than the benchmark). Such high efficiency absorbers are particularly attractive for radiometry, as well as energy harnessing applications. This work increases the portfolio of materials that can be integrated with such absorbers due to the potential for reduced synthesis temperatures arising from a plasma process. Optical modeling calculations were conducted that enabled a determination of the extinction coefficient in the films.
Novel Method and Device for High Resolution and Quantitative Sizing of Nanoparticles Suspended in Liquids
Authors: Zerrath Axel F. , Farnsworth James E. , Scheckman Jacob H. , Higgins Jonathan S. , Willis Erik
Published: June 2013

A new technology to size nanoparticles in liquids is presented. The technique is based on aerosol technology coupled to a nanoparticle nebulizer. This allows number concentration measurements in the size range ca. 5 to 500 nm with high peak resolution.
Transportation of Hydrogen Molecules Enabled by Tortional Buckling Instability of Carbon Nanoscrolls
Authors: Huang Yinjun , Li Teng
Published: June 2013

Using molecular dynamics simulations, we demonstrate a transportation mechanism of hydrogen molecules enabled by the torsional buckling instability of carbon nanoscrolls. The transportation mechanism is shown to be of high efficacy and robust over a range of loading rates. The findings shed light on potential application of carbon nanoscroll based hydrogen storage.