bluuebunny/crossref_metadata_2025 huggingface dataset:
The Response of Drug Expenditure to Nonlinear Contract Design: Evidence from Medicare Part D *
Authors: Einav Liran , Finkelstein Amy , Schrimpf Paul
Published: February 2015

We study the demand response to nonlinear price schedules using data on insurance contracts and prescription drug purchases in Medicare Part D. We exploit the kink in individuals’ budgets set created by the famous “donut hole,” where insurance becomes discontinuously much less generous on the margin, to provide descriptive evidence of the drug purchase response to a price increase. We then specify and estimate a simple dynamic model of drug use that allows us to quantify the spending response along the entire nonlinear budget set. We use the model for counterfactual analysis of the increase in spending from “filling” the donut hole, as will be required by 2020 under the Affordable Care Act. In our baseline model, which considers spending decisions within a single year, we estimate that filling the donut hole will increase annual drug spending by about $150, or about 8 percent. About one-quarter of this spending increase reflects anticipatory behavior, coming from beneficiaries whose spending prior to the policy change would leave them short of reaching the donut hole. We also present descriptive evidence of cross-year substitution of spending by individuals who reach the kink, which motivates a simple extension to our baseline model that allows—in a highly stylized way—for individuals to engage in such cross-year substitution. Our estimates from this extension suggest that a large share of the $150 drug spending increase could be attributed to cross-year substitution, and the net increase could be as little as $45 a year.
The Value of Hiring through Employee Referrals *
Authors: Burks Stephen V. , Cowgill Bo , Hoffman Mitchell , Housman Michael
Published: February 2015

Using personnel data from nine large firms in three industries (call centers, trucking, and high-tech), we empirically assess the benefit to firms of hiring through employee referrals. Compared to nonreferred applicants, referred applicants are more likely to be hired and more likely to accept offers, even though referrals and nonreferrals have similar skill characteristics. Referred workers tend to have similar productivity compared to nonreferred workers on most measures, but referred workers have lower accident rates in trucking and produce more patents in high-tech. Referred workers are substantially less likely to quit and earn slightly higher wages than nonreferred workers. In call centers and trucking, the two industries for which we can calculate worker-level profits, referred workers yield substantially higher profits per worker than nonreferred workers. These profit differences are driven by lower turnover and lower recruiting costs for referrals.
Safeguards to Prevent Neurologic Complications after Epidural Steroid Injections
Authors: Rathmell James P. , Benzon Honorio T. , Dreyfuss Paul , Huntoon Marc , Wallace Mark , Baker Ray , Riew K. Daniel , Rosenquist Richard W. , Aprill Charles , Rost Natalia S. , Buvanendran Asokumar , Kreiner D. Scott , Bogduk Nikolai , Fourney Daryl R. , Fraifeld Eduardo , Horn Scott , Stone Jeffrey , Vorenkamp Kevin , Lawler Gregory , Summers Jeffrey , Kloth David , O’Brien David , Tutton Sean
Published: February 2015

AbstractAbstract

Epidural corticosteroid injections can lead to rare, catastrophic neurologic injuries. Seventeen clinical considerations aimed at improving safety were produced by stakeholder societies. Adherence to specific recommended practices should lead to a reduction in the incidence of neurologic injuries.

Background:

Epidural corticosteroid injections are a common treatment for radicular pain caused by intervertebral disc herniations, spinal stenosis, and other disorders. Although rare, catastrophic neurologic injuries, including stroke and spinal cord injury, have occurred with these injections.

Methods:

A collaboration was undertaken between the U.S. Food and Drug Administration Safe Use Initiative, an expert multidisciplinary working group, and 13 specialty stakeholder societies. The goal of this collaboration was to review the existing evidence regarding neurologic complications associated with epidural corticosteroid injections and produce consensus procedural clinical considerations aimed at enhancing the safety of these injections. U.S. Food and Drug Administration Safe Use Initiative representatives helped convene and facilitate meetings without actively participating in the deliberations or decision-making process.

Results:

Seventeen clinical considerations aimed at improving safety were produced by the stakeholder societies. Specific clinical considerations for performing transforaminal and interlaminar injections, including the use of nonparticulate steroid, anatomic considerations, and use of radiographic guidance are given along with the existing scientific evidence for each clinical consideration.

Conclusion:

Adherence to specific recommended practices when performing epidural corticosteroid injections should lead to a reduction in the incidence of neurologic injuries.
The alkali metals: 200 years of surprises
Authors: Dye James L.
Published: February 2015

Alkali metal compounds have been known since antiquity. In 1807, Sir Humphry Davy surprised everyone by electrolytically preparing (and naming) potassium and sodium metals. In 1808, he noted their interaction with ammonia, which, 100 years later, was attributed to solvated electrons. After 1960, pulse radiolysis of nearly any solvent produced solvated electrons, which became one of the most studied species in chemistry. In 1968, alkali metal solutions in amines and ethers were shown to contain alkali metal anions in addition to solvated electrons. The advent of crown ethers and cryptands as complexants for alkali cations greatly enhanced alkali metal solubilities. This permitted us to prepare a crystalline salt of Na
−
in 1974, followed by 30 other alkalides with Na
−
, K
−
, Rb
−
and Cs
−
anions. This firmly established the −1 oxidation state of alkali metals. The synthesis of alkalides led to the crystallization of electrides, with trapped electrons as the anions. Electrides have a variety of electronic and magnetic properties, depending on the geometries and connectivities of the trapping sites. In 2009, the final surprise was the experimental demonstration that alkali metals under high pressure lose their metallic character as the electrons are localized in voids between the alkali cations to become high-pressure electrides!
CO2utilization: an enabling element to move to a resource- and energy-efficient chemical and fuel production
Authors: Ampelli Claudio , Perathoner Siglinda , Centi Gabriele
Published: February 2015

CO2conversion will be at the core of the future of low-carbon chemical and energy industry. This review gives a glimpse into the possibilities in this field by discussing (i) CO2circular economy and its impact on the chemical and energy value chain, (ii) the role of CO2in a future scenario of chemical industry, (iii) new routes for CO2utilization, including emerging biotechnology routes, (iv) the technology roadmap for CO2chemical utilization, (v) the introduction of renewable energy in the chemical production chain through CO2utilization, and (vi) CO2as a suitable C-source to move to a low-carbon chemical industry, discussing in particular syngas and light olefin production from CO2. There are thus many stimulating possibilities offered by using CO2and this review shows this new perspective on CO2at the industrial, societal and scientific levels.
Chemistry of silver(II): a cornucopia of peculiarities
Authors: Grochala Wojciech , Mazej Zoran
Published: February 2015

Silver is the heavier congener of copper in the Periodic Table, but the chemistry of these two elements is very different. While Cu(II) is the most common cationic form of copper, Ag(II) is rare and its compounds exhibit a broad range of peculiar physico-chemical properties. These include, but are not limited to: (i) uncommon oxidizing properties, (ii) unprecedented large mixing of metal and ligand valence orbitals, (iii) strong spin-polarization of neighbouring ligands, (iv) record large magnetic superexchange constants, (v) ease of thermal decomposition of its salts with O-, N- or C-ligands, as well as (vi) robust Jahn–Teller effect which is preserved even at high pressure. These intriguing features of the compounds of Ag(II) will be discussed here together with (vii) a possibility of electromerism (electronic tautomerism) for a certain class of Ag(II) salts.
Organometallic synthesis, reactivity and catalysis in the solid state using well-defined single-site species
Authors: Pike Sebastian D. , Weller Andrew S.
Published: February 2015

Acting as a bridge between the heterogeneous and homogeneous realms, the use of discrete, well-defined, solid-state organometallic complexes for synthesis and catalysis is a remarkably undeveloped field. Here, we present a review of this topic, focusing on describing the key transformations that can be observed at a transition-metal centre, as well as the use ofwell-definedorganometallic complexes in the solid state as catalysts. There is a particular focus upon gas–solid reactivity/catalysis and single-crystal-to-single-crystal transformations.
Goldilocks and the three inorganic equilibria: how Earth’s chemistry and life coevolve to be nearly in tune
Authors: Rickaby R. E. M.
Published: February 2015

Life and the chemical environment are united in an inescapable feedback cycle. The periodic table of the elements essential for life has transformed over Earth’s history, but, as today, evolved in tune with the elements available in abundance in the environment. The most revolutionary time in life’s history was the advent and proliferation of oxygenic photosynthesis which forced the environment towards a greater degree of oxidation. Consideration of three inorganic chemical equilibria throughout this gradual oxygenation prescribes a phased release of trace metals to the environment, which appear to have coevolved with employment of these new chemicals by life. Evolution towards complexity was chemically constrained, and changes in availability of notably Fe, Zn and Cu paced the systematic development of complex organisms. Evolving life repeatedly catalysed its own chemical challenges via the unwitting release of new and initially toxic chemicals. Ultimately, the harnessing of these allowed life to advance to greater complexity, though the mechanism responsible for translating novel chemistry to heritable use remains elusive. Whether a chemical acts as a poison or a nutrient lies both in the dose and in its environmental history.
Chemistry of the superheavy elements
Authors: Schädel Matthias
Published: February 2015

The quest for superheavy elements (SHEs) is driven by the desire to find and explore one of the extreme limits of existence of matter. These elements exist solely due to their nuclear shell stabilization. All 15 presently ‘known’ SHEs (11 are officially ‘discovered’ and named) up to element 118 are short-lived and are man-made atom-at-a-time in heavy ion induced nuclear reactions. They are identical to the transactinide elements located in the seventh period of the periodic table beginning with rutherfordium (element 104), dubnium (element 105) and seaborgium (element 106) in groups 4, 5 and 6, respectively. Their chemical properties are often surprising and unexpected from simple extrapolations. After hassium (element 108), chemistry has now reached copernicium (element 112) and flerovium (element 114). For the later ones, the focus is on questions of their metallic or possibly noble gas-like character originating from interplay of most pronounced relativistic effects and electron-shell effects. SHEs provide unique opportunities to get insights into the influence of strong relativistic effects on the atomic electrons and to probe ‘relativistically’ influenced chemical properties and the architecture of the periodic table at its farthest reach. In addition, they establish a test bench to challenge the validity and predictive power of modern fully relativistic quantum chemical models.
Superconductivity and the periodic table: from elements to materials
Authors: Simon Arndt
Published: February 2015

Based on the normal-state electronic band structure, the necessary condition for a metal to become a superconductor is the simultaneous occurrence of flat and steep bands at the Fermi level. The sufficient condition at least for conventional superconductors is a strong enough coupling of the flat band states to the lattice, e.g. via phonons. Selected elements (Te) and compounds of the rare earth metals (
RE
2
C
3
,
REC
2
,
RE
2
X
2
C
2
with
X
=halogen) and MgB
2
serve as examples to illustrate the idea.
Superconductivity in transition metals
Authors: Slocombe Daniel R. , Kuznetsov Vladimir L. , Grochala Wojciech , Williams Robert J. P. , Edwards Peter P.
Published: February 2015

A qualitative account of the occurrence and magnitude of superconductivity in the transition metals is presented, with a primary emphasis on elements of the first row. Correlations of the important parameters of the Bardeen–Cooper–Schrieffer theory of superconductivity are highlighted with respect to the number of d-shell electrons per atom of the transition elements. The relation between the systematics of superconductivity in the transition metals and the periodic table high-lights the importance of short-range or chemical bonding on the remarkable natural phenomenon of superconductivity in the chemical elements. A relationship between superconductivity and lattice instability appears naturally as a balance and competition between localized covalent bonding and so-called broken covalency, which favours d-electron delocalization and superconductivity. In this manner, the systematics of superconductivity and various other physical properties of the transition elements are related and unified.
On the occurrence of metallic character in the periodic table of the chemical elements
Authors: Hensel Friedrich , Slocombe Daniel R. , Edwards Peter P.
Published: February 2015

The classification of a chemical element as either ‘metal’ or ‘non-metal’ continues to form the basis of an instantly recognizable, universal representation of the periodic table (Mendeleeff D. 1905
The principles of chemistry
, vol. II, p. 23; Poliakoff M. & Tang S. 2015
Phil. Trans. R. Soc. A
373
, 20140211). Here, we review major, pre-quantum-mechanical innovations (Goldhammer DA. 1913
Dispersion und Absorption des Lichtes
; Herzfeld KF. 1927
Phys. Rev.
29
, 701–705) that allow an understanding of the metallic or non-metallic status of the chemical elements under both ambient and extreme conditions. A special emphasis will be placed on recent experimental advances that investigate how the electronic properties of chemical elements vary with temperature and density, and how this invariably relates to a changing status of the chemical elements. Thus, the prototypical non-metals, hydrogen and helium, becomes metallic at high densities; and the acknowledged metals, mercury, rubidium and caesium, transform into their non-metallic forms at low elemental densities. This reflects the fundamental fact that, at temperatures above the absolute zero of temperature, there is therefore no clear dividing line between metals and non-metals. Our conventional demarcation of chemical elements as metals or non-metals within the periodic table is of course governed by our experience of the nature of the elements under ambient conditions. Examination of these other situations helps us to examine the exact divisions of the chemical elements into metals and non-metals (Mendeleeff D. 1905
The principles of chemistry
, vol. II, p. 23).
Description of Siccibacter colletis sp. nov., a novel species isolated from plant material, and emended description of Siccibacter turicensis
Authors: Jackson Emily E. , Masood Naqash , Ibrahim Khaled , Urvoy Noémie , Hariri Sumyya , Forsythe Stephen J.
Published: February 2015

A re-evaluation of the taxonomic position of two strains, 1383T and 2249, isolated from poppy seeds and tea leaves, which had been identified as

Siccibacter turicensis

(formerly

Cronobacter zurichensis

), was carried out. The analysis included phenotypic characterization, 16S rRNA gene sequencing, multilocus sequence analysis (MLSA) of five housekeeping genes (atpD, fusA, glnS, gyrB and infB; 2034 bp) and ribosomal MLSA (53 loci; 22 511 bp). 16S rRNA gene sequence analysis and MLSA showed that the strains formed an independent phylogenetic lineage, with

Siccibacter turicensis

LMG 23730T as the closest neighbour. Average nucleotide identity analysis and phenotypic analysis confirmed that these strains represent a novel species, for which the name Siccibacter colletis sp. nov. is proposed. The type strain is 1383T ( = NCTC 14934T = CECT 8567T = LMG 28204T). An emended description of

Siccibacter turicensis

is also provided.
Genotyping coronaviruses associated with feline infectious peritonitis
Authors: Lewis Catherine S. , Porter Emily , Matthews David , Kipar Anja , Tasker Séverine , Helps Christopher R. , Siddell Stuart G.
Published: February 2015

Feline coronavirus (FCoV) infections are endemic among cats worldwide. The majority of infections are asymptomatic or result in only mild enteric disease. However, approximately 5 % of cases develop feline infectious peritonitis (FIP), a systemic disease that is a frequent cause of death in young cats. In this study, we report the complete coding genome sequences of six FCoVs: three from faecal samples from healthy cats and three from tissue lesion samples from cats with confirmed FIP. The six samples were obtained over a period of 8 weeks at a single-site cat rescue and rehoming centre in the UK. We found amino acid differences located at 44 positions across an alignment of the six virus translatomes and, at 21 of these positions, the differences fully or partially discriminated between the genomes derived from the faecal samples and the genomes derived from the tissue lesion samples. In this study, two amino acid differences fully discriminated the two classes of genomes: these were both located in the S2 domain of the virus surface glycoprotein gene. We also identified deletions in the 3c protein ORF of genomes from two of the FIP samples. Our results support previous studies that implicate S protein mutations in the pathogenesis of FIP.
Can rodents conceive hyperbolic spaces?
Authors: Urdapilleta Eugenio , Troiani Francesca , Stella Federico , Treves Alessandro
Published: February 2015

The grid cells discovered in the rodent medial entorhinal cortex have been proposed to provide a metric for Euclidean space, possibly even hardwired in the embryo. Yet one class of models describing the formation of grid unit selectivity is entirely based on developmental self-organization, and as such it predicts that the metric it expresses should reflect the environment to which the animal has adapted. We show that, according to self-organizing models, if raised in a non-Euclidean hyperbolic cage rats should be able to form hyperbolic grids. For a given range of grid spacing relative to the radius of negative curvature of the hyperbolic surface, such grids are predicted to appear as multi-peaked firing maps, in which each peak has seven neighbours instead of the Euclidean six, a prediction that can be tested in experiments. We thus demonstrate that a useful universal neuronal metric, in the sense of a multi-scale ruler and compass that remain unaltered when changing environments, can be extended to other than the standard Euclidean plane.

Abbreviation

mEC

medial entorhinal cortex

PS

pseudosphere
Accurate, multi-kb reads resolve complex populations and detect rare microorganisms
Authors: Sharon Itai , Kertesz Michael , Hug Laura A. , Pushkarev Dmitry , Blauwkamp Timothy A. , Castelle Cindy J. , Amirebrahimi Mojgan , Thomas Brian C. , Burstein David , Tringe Susannah G. , Williams Kenneth H. , Banfield Jillian F.
Published: February 2015

Accurate evaluation of microbial communities is essential for understanding global biogeochemical processes and can guide bioremediation and medical treatments. Metagenomics is most commonly used to analyze microbial diversity and metabolic potential, but assemblies of the short reads generated by current sequencing platforms may fail to recover heterogeneous strain populations and rare organisms. Here we used short (150-bp) and long (multi-kb) synthetic reads to evaluate strain heterogeneity and study microorganisms at low abundance in complex microbial communities from terrestrial sediments. The long-read data revealed multiple (probably dozens of) closely related species and strains from previously undescribed Deltaproteobacteria and Aminicenantes (candidate phylum OP8). Notably, these are the most abundant organisms in the communities, yet short-read assemblies achieved only partial genome coverage, mostly in the form of short scaffolds (N50 = ∼2200 bp). Genome architecture and metabolic potential for these lineages were reconstructed using a new synteny-based method. Analysis of long-read data also revealed thousands of species whose abundances were <0.1% in all samples. Most of the organisms in this “long tail” of rare organisms belong to phyla that are also represented by abundant organisms. Genes encoding glycosyl hydrolases are significantly more abundant than expected in rare genomes, suggesting that rare species may augment the capability for carbon turnover and confer resilience to changing environmental conditions. Overall, the study showed that a diversity of closely related strains and rare organisms account for a major portion of the communities. These are probably common features of many microbial communities and can be effectively studied using a combination of long and short reads.
TheGreening after Extended Darkness1Is an N-End Rule Pathway Mutant with High Tolerance to Submergence and Starvation
Authors: Riber Willi , Müller Jana T. , Visser Eric J.W. , Sasidharan Rashmi , Voesenek Laurentius A.C.J. , Mustroph Angelika
Published: February 2015

Plants respond to reductions in internal oxygen concentrations with adaptive mechanisms (for example, modifications of metabolism to cope with reduced supply of ATP). These responses are, at the transcriptional level, mediated by the group VII Ethylene Response Factor transcription factors, which have stability that is regulated by the N-end rule pathway of protein degradation. N-end rule pathway mutants are characterized by a constitutive expression of hypoxia response genes and abscisic acid hypersensitivity. Here, we identify a novel proteolysis6 (prt6) mutant allele, named greening after extended darkness1 (ged1), which was previously discovered in a screen for genomes uncoupled-like mutants and shows the ability to withstand long periods of darkness at the seedling stage. Interestingly, this ethyl methanesulfonate-derived mutant shows unusual chromosomal rearrangement instead of a point mutation. Furthermore, the sensitivity of N-end rule pathway mutants ged1 and prt6-1 to submergence was studied in more detail to understand previously contradicting experiments on this topic. Finally, it was shown that mutants for the N-end rule pathway are generally more tolerant to starvation conditions, such as prolonged darkness or submergence, which was partially associated with carbohydrate conservation.
S-Nitrosylation Positively Regulates Ascorbate Peroxidase Activity during Plant Stress Responses
Authors: Yang Huanjie , Mu Jinye , Chen Lichao , Feng Jian , Hu Jiliang , Li Lei , Zhou Jian-Min , Zuo Jianru
Published: February 2015

Nitric oxide (NO) and reactive oxygen species (ROS) are two classes of key signaling molecules involved in various developmental processes and stress responses in plants. The burst of NO and ROS triggered by various stimuli activates downstream signaling pathways to cope with abiotic and biotic stresses. Emerging evidence suggests that the interplay of NO and ROS plays a critical role in regulating stress responses. However, the underpinning molecular mechanism remains poorly understood. Here, we show that NO positively regulates the activity of the Arabidopsis (Arabidopsis thaliana) cytosolic ascorbate peroxidase1 (APX1). We found that S-nitrosylation of APX1 at cysteine (Cys)-32 enhances its enzymatic activity of scavenging hydrogen peroxide, leading to the increased resistance to oxidative stress, whereas a substitution mutation at Cys-32 causes the reduction of ascorbate peroxidase activity and abolishes its responsiveness to the NO-enhanced enzymatic activity. Moreover, S-nitrosylation of APX1 at Cys-32 also plays an important role in regulating immune responses. These findings illustrate a unique mechanism by which NO regulates hydrogen peroxide homeostasis in plants, thereby establishing a molecular link between NO and ROS signaling pathways.
On radiation damage in FIB-prepared softwood samples measured by scanning X-ray diffraction
Authors: Storm Selina , Ogurreck Malte , Laipple Daniel , Krywka Christina , Burghammer Manfred , Di Cola Emanuela , Müller Martin
Published: February 2015

The high flux density encountered in scanning X-ray nanodiffraction experiments can lead to severe radiation damage to biological samples. However, this technique is a suitable tool for investigating samples to high spatial resolution. The layered cell wall structure of softwood tracheids is an interesting system which has been extensively studied using this method. The tracheid cell has a complex geometry, which requires the sample to be prepared by cutting it perpendicularly to the cell wall axis. Focused ion beam (FIB) milling in combination with scanning electron microscopy allows precise alignment and cutting without splintering. Here, results of a scanning X-ray diffraction experiment performed on a biological sample prepared with a focused ion beam of gallium atoms are reported for the first time. It is shown that samples prepared and measured in this way suffer from the incorporation of gallium atoms up to a surprisingly large depth of 1 µm.
Computational analysis of thermal-motion effects on the topological properties of the electron density
Authors: Michael J. Robert , Koritsanszky Tibor
Published: February 2015

The distributions of bond topological properties (BTPs) of the electron density upon thermal vibrations of the nuclei are computationally examined to estimate different statistical figures, especially uncertainties, of these properties. The statistical analysis is based on a large ensemble of BTPs of the electron densities for thermally perturbed nuclear geometries of the formamide molecule. Each bond critical point (BCP) is found to follow a normal distribution whose covariance correlates with the displacement amplitudes of the nuclei involved in the bond. The BTPs are found to be markedly affected not only by normal modes of the significant bond-stretching component but also by modes that involve mainly hydrogen-atom displacements. Their probability distribution function can be decently described by Gumbel-type functions of positive (negative) skewness for the bonds formed by non-hydrogen (hydrogen) atoms.
The revival of the Bravais lattice
Authors: Flack Howard D.
Published: February 2015

The implications of the paper by Grimmer [Acta Cryst.(2015), A71, 143–149] are discussed.
Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide
Authors: Yennawar Hemant P. , Tierney John , Hullihen Patrick D. , Silverberg Lee J.
Published: February 2015

In the crystal structures of the title compounds, C15H11Cl2NOS, (1), and C15H11Cl2NO2S, (2), wherein (2) is the oxidized form of (1), the thiazolidine ring is attached to two chlorophenyl rings. The chlorophenyl ring on the 2-carbon atom position points in the same direction as that of the S atom in (1), while in (2), the S atom points in the opposite direction. The O atom on the chiral S atom in (2) istransto the chlorophenyl ring on the 2-carbon. The chlorophenyl ring planes in each structure are close to orthogonal, making dihedral angles of 78.61 (6) and 87.46 (8)° in (1) and (2), respectively. The thiazolidine ring has a twisted conformation on the S—Cmethinebond in (1), and an envelope conformation with the S atom 0.715 (3) Å out of the plane of other four atoms in (2). In the crystal of (1), molecules are linked by C—H...O hydrogen bonds, as well as by slipped parallel π–π interactions [inter-centroid distance = 3.840 (3) Å] between inversion-related phenyl rings, forming sheets parallel to (001). In the crystal of (2), molecules are linkedviaC—H...O and C—H...Cl hydrogen bonds, forming slabs parallel to (001).
Crystal structure of bis(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetraphenylporphyrinato-κ4N)iron(II)–1-methyl-1H-imidazole (1/2)
Authors: Guan Ye , Powell Douglas R. , Richter-Addo George B.
Published: February 2015

The title compound, [Fe(C44H28N4)(C4H6N2)2]·2C4H6N2, is a six-coordinate FeII–porphyrinate complex with the metal located on a center of inversion and coordinated by two axial 1-methylimidazole ligands; the complex crystallizes as a 1-methylimidazole disolvate. The 1-methylimidazole group bonded to the FeIIatom [occupancy ratio 0.789 (4):0.211 (4)] and the unbound 1-methylimidazole molecule [0.519 (4):0.481 (4)] were disordered. The average Fe—N(porphyrinate) bond length is 1.998 (3) Å and the axial Fe—N(imidazole) bond length is 1.9970 (12) Å. In the crystal, molecules are linked into a three-molecule aggregate by two weak C—H...N interactions.
Tetraaquabis[2-(2-nitrophenyl)acetato-κO]cobalt(II)
Authors: Danish Muhammad , Tahir Muhammad Nawaz , Iftikhar Sana , Raza Muhammad Asam , Ashfaq Muhammad
Published: February 2015

The molecule of the title compound, [Co(C8H6NO4)2(H2O)4], is centrosymmetric. It is a cobalt(II) complex, bearing two (2-nitrophenyl)acetate and four aqua ligands. The coordination around the CoIIatom is distorted octahedral, defined by four O atoms of water molecules in the equatorial plane and by two carboxylate O atoms at axial positions. The dihedral angles between the benzene ring and the acetate and nitro groups are 61.90 (10) and 19.21 (11)°, respectively. The water molecules form O—H...O hydrogen bonds with the nitro and carboxylate groups, leading to a layered structural arrangement parallel to (001).
Thin part identification for CAD model classification
Authors: Pernot Jean-Philippe , Giannini Franca , Petton Cédric
Published: February 2015

Purpose

– The purpose of this paper is to focus on the characterization and classification of parts with respect to the meshing issue, and notably the meshing of thin parts difficulty handled automatically and which often requires adaptation steps. The objective is to distinguish the so-called thin parts and parts with thin features from the other parts.

Design/methodology/approach

– The concepts of thin part and part with thin features are introduced together with the mechanisms and criteria used for their identification in a CAD models database. The criteria are built on top of a set of shape descriptors and notably the distance distribution which is used to characterize the thickness of the object. To speed up the identification process, shape descriptors are computed from tessellated parts.

Findings

– A complete modular approach has been designed. It computes shape descriptors over parts stored in a directory and it uses criteria to distinguish three categories: thin parts, parts with thin features and other parts. Being the three categories identified, the user can spend more time on the parts that are considered as more difficulty meshable.

Research limitations/implications

– The approach is limited to the three above mentioned categories. However, it has been designed so that the values corresponding to the shape descriptors and associated meshing qualities can easily be inserted within a machining learning tool later on.

Practical implications

– The use of the developed tool can be seen as a pre-processing step during the preparation of finite element (FE) simulation models. It is automatic and can be run in batch and in parallel.

Originality/value

– The approach is modular, it is simple and easy to implement. Categories are built on top of several shape descriptors and not on a unique signature. It is independent of the CAD modeler. This approach is integrated within a FE simulation model preparation framework and help engineers anticipating difficulties when meshing CAD models.
Generalized periodic surface model and its application in designing fibrous porous media
Authors: Huang Wei , Didari Sima , Wang Yan , Harris Tequila A.L.
Published: February 2015

Purpose

– Fibrous porous media have a wide variety of applications in insulation, filtration, acoustics, sensing, and actuation. To design such materials, computational modeling methods are needed to engineer the properties systematically. There is a lack of efficient approaches to build and modify those complex structures in computers. The paper aims to discuss these issues.

Design/methodology/approach

– In this paper, the authors generalize a previously developed periodic surface (PS) model so that the detailed shapes of fibers in porous media can be modeled. Because of its periodic and implicit nature, the generalized PS model is able to efficiently construct the three-dimensional representative volume element (RVE) of randomly distributed fibers. A physics-based empirical force field method is also developed to model the fiber bending and deformation.

Findings

– Integrated with computational fluid dynamics (CFD) analysis tools, the proposed approach enables simulation-based design of fibrous porous media.

Research limitations/implications

– In the future, the authors will investigate robust approaches to export meshes of PS models directly to CFD simulation tools and develop geometric modeling methods for composite materials that include both fibers and resin.

Originality/value

– The proposed geometric modeling method with implicit surfaces to represent fibers is unique in its capability of modeling bent and deformed fibers in a RVE and supporting design parameter-based modification for global configuration change for the purpose of macroscopic transport property analysis.
Functional restructuring of CAD models for FEA purposes
Authors: Shawan Ahmad , Léon Jean-Claude , Foucault Gilles , Fine Lionel
Published: February 2015

Purpose

– Preparing digital mock-ups (DMUs) for finite element analyses (FEAs) is currently a long and tedious task requiring many interactive CAD model transformations. Functional information about components appears to be very useful to speed this preparation process. The purpose of this paper is to shows how DMU components can be automatically enriched with some functional information.

Design/methodology/approach

– DMUs are widespread and stand as reference model for product description. However, DMUs produced by industrial CAD systems essentially contain geometric models, which lead to tedious preparation of finite element Models (FEMs). Analysis and reasoning approaches are developed to automatically enrich DMUs with functional and kinematic properties. Indeed, geometric interfaces between components form a key starting point to analyze their behaviors under reference states. This is a first stage in a reasoning process to progressively identify mechanical, kinematic as well as functional properties of components.

Findings

– Inferred semantics adds up to the pure geometric representation provided by a DMU and produce also geometrically structured components. Functional information connected to a structured geometric model of a component significantly improves FEM preparation and increases its robustness because idealizations can take place using components’ functions and components’ structure helps defining sub-domains of FEMs.

Research limitations/implications

– Future research will carry on improving algorithms for geometric interfaces identification, processing a wider range of component functions, which will contribute to a formalization of the concept of functional consistency of a DMU.

Originality/value

– Simulation engineers benefit from this automated enrichment of DMUs with functional information to speed up the preparation of FEAs of large assemblies.
Organizational outcomes of leadership style and resistance to change (Part One)
Authors: Appelbaum Steven H. , Degbe Medea Cesar , MacDonald Owen , NGUYEN-QUANG Thai-Son
Published: February 2015

Purpose

– Organizations must react rapidly to evolving environments by engaging in change, ranging from minor adjustments to radical transformation. Many obstacles are encountered on the path towards achieving positive organizational outcomes, among which resistance to change (RTC) prevents the level of mobilization critical to achieve a successful transformation. The purpose of this two-part paper is to offer a review of the body of knowledge explaining how leadership styles may address RTC in order to achieve desired organizational outcomes. For this purpose, multiple organizational concepts are visited and linked through a synthesized model proposing causality relationships between the various elements.

Design/methodology/approach

– A range of recently published empirical and practitioner research articles were reviewed to analyse the relationships in search of the variables that affect resistance during a major organizational change. In order to synthesize and bridge many concepts that are often studied separately, an overall model is proposed to help establish causal relationships between the elements of interest influencing organizational outcomes, in the context of a change.

Findings

– Leadership acts as an input at multiple levels, influencing organizational outcomes both directly – by continuously shaping employee attitude throughout change – and indirectly – by regulating the antecedents and moderators of their predisposition to change. These subsequently shape the extent of RTC, which translates from the perception of, commitment to and involvement in the change process. The interaction of the organizational environment with these factors ultimately determines the organizational outcome resulting from the change initiatives.

Research limitations/implications

– The model must be tested in another empirical article to measure its effectiveness. The complexity of the model may, however, hinder the ability to successfully correlate all the concepts.

Practical implications

– The paper suggests an overall framework that may help leaders and organizational development practitioners identify the major factors which may be considered during a change initiative or a transformation.

Social implications

– This paper highlights the multi-dimensional role of leadership style in successfully achieving organizational changes. Leaders’ emotional aptitude to influence their followers and employees’ natural and contextual predisposition to change transact to shape organizational outcomes. These social elements must be carefully assessed not only prior to embarking on a change implementation, but also to proactively invest in psychologically directed organizational training and development, at all hierarchical levels.

Originality/value

– The synthesis model is the novel contribution of the paper. It proposes an organized approach to relate multiple close yet distinct concepts that have so far been predominantly discussed separately.
Managing, tracking and evaluating coaching part 2: where could you be?
Authors: Yates Kirsty
Published: February 2015

Purpose

– The purpose of this paper is to offer a number of recommendations that will enable you to get your hands around the coaching that is taking place inside your organisation so that you can manage it better and, moreover, calculate the commercial and cultural returns your organisation is achieving from the coaching in light of research presented in the author's previous article.

Design/methodology/approach

– This research is based on a case study.

Findings

– Although not an easy task, it is possible to evaluate the impact of coaching and, in turn, calculate the return on investment (ROI). Key to doing this is that each relationship should be set up correctly; the coach should be fully qualified, experienced and in supervision and information regarding the volume, status and expenditure of each coaching contract must be kept up to date and, along with evaluation data for each contract, used to measure the impact of coaching to the organisation and to calculate the ROI.

Originality/value

– The case study included shows how coaching has been transformed in E.ON UK since outsourcing all aspects of its coaching, resulting in a clear and robust process generating valuable data on the impact of individual contracts and the programme as a whole, as well as an ROI.
Meeting career expectation: can it enhance job satisfaction of Generation Y?
Authors: Kong Haiyan , Wang Sujuan , Fu Xingxing
Published: February 2015

Purpose

– This paper aims to explore the influence of career expectations on job satisfaction of Generation Y, as well as the mediating effect of career expectations on the relationship between hotel career management (HCM) and job satisfaction.

Design/methodology/approach

– Data were collected from the main tourist cities in China with Generation Y employees working in the hospitality industry as the target population. A total of 442 valid questionnaires were obtained, and structural equation modeling was used to examine the relationships among the constructs.

Findings

– HCM contributed positively to employees’ career expectation and job satisfaction. Career expectation was positively related to job satisfaction, as well as mediated the relationship between HCM and job satisfaction.

Research limitations/implications

– This study is limited by the use of self-reported data in the cross-sectional design because all participants filled out the questionnaires by themselves. The use of convenience sampling method presents another limitation for this study.

Practical implications

– This study may serve as a guide for managers and policymakers. First, this study highlights the importance of effective career management activities. Second, this study may help hotels retain the qualified staff members. Third, this study may help hotel managers respond to the career expectation of their young employees.

Social implications

– The meditating effect of career expectation highlights its importance in the career management system. The main force of market labor is Generation Y, who are known for their high career expectation and their emphasis on their career development. The findings indicate that both extrinsic and intrinsic value factors provide greater contributions to job satisfaction than prestige and stability factors. Therefore, hotels must provide a stable working environment, and care more on employees’ intrinsic value. Aside from providing high compensation, employers should also provide career growth opportunities and challenging job to their employees, as they are important motivational factors. By providing tailor-made career activities, hotel managers may satisfy the career expectations and enhance the job satisfaction of young employees, which, in turn, leads to a mutually beneficial situation for both managers and employees.

Originality/value

– This study explores the predictors and outcomes of career expectations of Generation Y employees. It highlights the importance of meeting the career expectations and also shows initial evidence on the mediating effect of career expectation. The findings of this study may provide useful guidance to both hotel operators and employees.
Do personal resources mediate the effect of perceived organizational support on emotional exhaustion and job outcomes?
Authors: Karatepe Osman M.
Published: February 2015

Purpose

– The purpose of this paper is to examine personal resources as a mediator of the effect of perceived organizational support on emotional exhaustion, extra-role customer service and turnover intentions.

Design/methodology/approach

– Using data collected from frontline hotel employees with a one-month time lag in Cameroon, the relationships were assessed via structural equation modeling. Positive affectivity, intrinsic motivation and self-efficacy were treated as the indicators of personal resources.

Findings

– The results suggest that positive affectivity, intrinsic motivation and self-efficacy are significant indicators representing personal resources. As hypothesized, personal resources fully mediate the effect of perceived organizational support on emotional exhaustion, extra-role customer service and turnover intentions. Specifically, frontline employees who receive sufficient support from the organization are high in positive affectivity, intrinsically motivated and self-efficacious at elevated levels. Such employees, in turn, experience low levels of emotional exhaustion and turnover intentions and display high levels of extra-role customer service behaviors.

Originality/value

– The current paper contributes to the hospitality management literature by investigating personal resources as a mediator of the impact of perceived organizational support on emotional exhaustion and the aforementioned job outcomes.
Grass-root preparedness against potential flood risk among residential and commercial property holders
Authors: Mis Namrata Bhattacharya , Joseph Rotimi , Proverbs David , Lamond Jessica
Published: February 2015

Purpose

– This study aims to investigate the level of preparedness among property owners who had experienced flood damage to their properties in two cities in England following the summer floods of 2007. Flooding can have a variety of impacts on residential properties and businesses that may be unprepared and therefore vulnerable to both direct and indirect effects. Research suggests that the focus in analysis of damage to flood plain population (residential and commercial) tends to be on the direct tangible impacts, limiting their ability to recognize the true costs of flooding, thereby leading to unpreparedness to future flooding. Greater understanding of the level of preparedness against different types of flood impacts is likely to contribute towards increased knowledge of the likely resilience of residential and commercial property occupiers.

Design/methodology/approach

– Primary data obtained through self-administered postal questionnaire survey of floodplain residential and commercial residents provide the basis for the research analysis and findings. The rationale behind choosing the locations for the research was based on the need to investigate areas where a sizeable number of residential and commercial properties were affected during the 2007 event, in this case, Sheffield and Wakefield in the northern part of England were chosen. The data collected were subjected to descriptive statistical analysis.

Findings

– The result of the analysis revealed that non-structural measures have been implemented by more people when compared to other measures, which can be linked to the fact that non-structural measures, in most, cases do not have financial implication to the property owners. The uptake of the other measures (resistance and resilience) is very low. It can be concluded from the findings that the level of implementation of measures to reduce damage from potential future flooding among the flood plain residents is relatively low and mainly focussed towards reducing the direct effects of flooding.

Practical implications

– The study argues that increased resilience can be sustainable only by developing integrated attitude towards risk reduction not only by enhancing coping strategy by reducing direct impacts of flooding but also equally focussing on indirect effects.

Originality/value

– There have been previous studies towards investigating the impacts of flooding on residential and commercial property owners as a separate entity. It is believed that this is the first time in which both residential and commercial properties will be investigated together as one body of research.