bluuebunny/crossref_metadata_2025 huggingface dataset:
Cerebellar Stroke
Authors: Berry Diane C. , Rafferty Amber , Tiu Kathleen , Platt-Mills Timothy F.
Published: July 2017

Cerebellar strokes account for less than 10% of all strokes but lead to significantly poor outcomes. Cerebellar strokes that are initially missed have a mortality rate of 40%, and half of the patients who survive have long-term deficits. The patient's history may provide clues that point to a cerebellar stroke. Signs and symptoms include vertigo, headache, vomiting and ataxia. It is important to note the presence of stroke risk factors, such as a history of strokes or transient ischemic attacks, diabetes mellitus, hypertension, hypercholesterolemia, advanced age, atrial fibrillation, and cigarette smoking. The importance of early and correct diagnosis is imperative to reduce morbidity and mortality.
Implementing Interprofessional Alcohol Screening, Brief Intervention, and Referral to Treatment in the Emergency Department
Authors: Bacidore Vicki , Letizia MariJo , Mitchel Ann M.
Published: July 2017

Alcohol misuse is one of the leading causes of illness, disease, injury, and death in the Unites States. For many patients, the emergency department (ED) visit may provide the only therapeutic opportunity to influence problematic drinking behavior. Screening, brief intervention, and referral to treatment (SBIRT) is an evidence-based approach that may reduce alcohol-related morbidity and mortality and improve health outcomes and quality of life. Developing and implementing an alcohol SBIRT educational module for ED nurses and social workers is an efficient and effective mechanism to provide education about alcohol SBIRT, and revising the electronic health record to include an alcohol SBIRT protocol provides a standard mechanism for documentation by the interprofessional team of ED nurses and social workers. By integrating SBIRT knowledge as standard of practice in the ED setting, providers can positively impact the health and well-being of patients.
Postgraduate Emergency Nurse Practitioner Fellowships
Authors: Rudy Susanna , Wilbeck Jennifer
Published: July 2017

Specialty trained emergency nurse practitioners (ENPs) can meet the demands of an unpredictable emergency care environment within an overburdened health care system. Although existing literature supports fellowship training as a method for bridging academic knowledge with clinical experiences for the novice nurse practitioner, the currently available emergency care postgraduate fellowship programs are inconsistent in approach. Building upon descriptive data provided by the existing 9 postgraduate ENP fellowship programs, a comparison and gap analysis of program content was conducted to identify perceived standards for ENP specialty education and the congruence with published ENP competencies. Standards to curricula, didactics, clinical rotations, and measures of competency were identified in the currently established ENP fellowships. A national ENP fellowship curriculum has the potential to afford consistency among programs, support attainment of competency, and provide clarity to the role and general education of advanced practice registered nurses seeking employment in emergency care.
Expanding the Atlas of Functional Missense Variation for Human Genes
Authors: Weile Jochen , Sun Song , Cote Atina G. , Knapp Jennifer , Verby Marta , Mellor Joseph , Wu Yingzhou , Pons Carles , Wong Cassandra , Lieshout Natascha van , Yang Fan , Tasan Murat , Tan Guihong , Yang Shan , Fowler Douglas M. , Nussbaum Robert , Bloom Jesse D. , Vidal Marc , Hill David E , Aloy Patrick , Roth Frederick P.
Published: July 2017

Although we now routinely sequence human genomes, we can confidently identify only a fraction of the sequence variants that have a functional impact. Here we developed a deep mutational scanning framework that produces exhaustive maps for human missense variants by combining random codon-mutagenesis and multiplexed functional variation assays with computational imputation and refinement. We applied this framework to four proteins corresponding to six human genes: UBE2I (encoding SUMO E2 conjugase), SUMO1 (small ubiquitin-like modifier), TPK1 (thiamin pyrophosphokinase), and CALM1/2/3 (three genes encoding the protein calmodulin). The resulting maps recapitulate known protein features, and confidently identify pathogenic variation. Assays potentially amenable to deep mutational scanning are already available for 57% of human disease genes, suggesting that DMS could ultimately map functional variation for all human disease genes.
Mapping movement, mood, motivation, and mentation in the subthalamic nucleus
Authors: Gourisankar Amritha , Eisenstein Sarah A. , Trapp Nicholas T. , Koller Jonathan M. , Campbell Meghan C. , Ushe Mwiza , Perlmutter Joel S. , Hershey Tamara , Black Kevin J.
Published: July 2017

The anatomical connections of the subthalamic nucleus (STN) have driven hypotheses about its functional anatomy, including the hypothesis that the precise anatomical location of STN deep brain stimulation (DBS) determines the variability of motor and non-motor responses across Parkinson disease (PD) patients. We previously tested that hypothesis using a three-dimensional (3D) statistical method to interpret the acute effects of unilateral DBS at each patient’s clinically optimized DBS settings and active contact. Here we report a similar analysis from a new study in which DBS parameters were standardized and DBS locations were chosen blind to clinical response. In 74 individuals with PD and STN DBS, STN contacts were selected near the dorsal and ventral border of the STN contralateral to the more affected side of the body. Participants were tested off PD medications in each of 3 conditions (ventral STN DBS, dorsal STN DBS and DBS off) for acute effects on mood, apathy, working memory, response inhibition and motor function. Voltage, frequency, and pulse width were standardized, and participants and raters were blind to condition. In a categorical analysis, both dorsal and ventral STN DBS improved mean motor function without affecting cognitive measures. Dorsal STN DBS induced greater improvement in rigidity than ventral STN DBS, whereas ventral STN DBS was more effective for improving anxiety and mood. In the 3D analysis, contact location was significant only for bradykinesia and resting tremor, with the greatest improvement occurring with DBS in dorsal STN and zona incerta. These results provide new, direct functional evidence for the anatomically-derived model of STN using the novel 3D analysis, in which motor function is most represented in dorsal STN. However, our data suggest that functional segregation between motor and non-motor areas of the STN is limited, since locations that induced improvements in motor function and mood overlapped substantially.
Modeling mesoscopic cortical dynamics using a mean-field model of conductance-based networks of adaptive exponential integrate-and-fire neurons
Authors: Zerlaut∗ Yann , Chemla Sandrine , Chavane Frederic , Destexhe∗ Alain
Published: July 2017

Voltage-sensitive dye imaging (VSDi) has revealed fundamental properties of neocortical processing at macroscopic scales. Since for each pixel VSDi signals report the average membrane potential over hundreds of neurons, it seems natural to use a mean-field formalism to model such signals. Here, we present a mean-field model of networks of Adaptive Exponential (AdEx) integrate-and-fire neurons, with conductance-based synaptic interactions. We study here a network of regular-spiking (RS) excitatory neurons and fast-spiking (FS) inhibitory neurons. We use a Master Equation formalism, together with a semi-analytic approach to the transfer function of AdEx neurons to describe the average dynamics of the coupled populations. We compare the predictions of this mean-field model to simulated networks of RS-FS cells, first at the level of the spontaneous activity of the network, which is well predicted by the analytical description. Second, we investigate the response of the network to time-varying external input, and show that the mean-field model predicts the response time course of the population. Finally, to model VSDi signals, we consider a one-dimensional ring model made of interconnected RS-FS mean-field units. We found that this model can reproduce the spatio-temporal patterns seen in VSDi of awake monkey visual cortex as a response to local and transient visual stimuli. Conversely, we show that the model allows one to infer physiological parameters from the experimentally-recorded spatio-temporal patterns.
Reinforced Random Walker meets Spike Timing Dependent Plasticity
Authors: Soltanipour Mohammadreza , Seyed-allaei Hamed
Published: July 2017

We blended Reinforced Random Walker (RRW) and Spike Timing Dependent Plasticity (STDP) as a minimalistic model to study plasticity of neural network. The model includes walkers which randomly wander on a weighted network. A walker selects a link with a probability proportional to its weight. If the other side of the link is empty, the move succeeds and link’s weight is strengthened (Long Term Potentiation). If the other side is occupied, then the move fails and the weight of the link is weakened (Long Term Depression). Depending on the number of walkers, we observed two phases: ordered (a few strong loops) and disordered (all links are alike). We detected a phase transition from disorder to order depending on the number of walkers. At the transition point, where there was a balance between potentiation and depression, the system became scale-free and histogram of weights was a power law. This work demonstrate how dynamic of a complex adaptive system can lead to critical behavior in its structure via a STDP-like rule.
Quartet-based computations of internode certainty provide accurate and robust measures of phylogenetic incongruence
Authors: Zhou Xiaofan , Lutteropp Sarah , Czech Lucas , Stamatakis Alexandros , von Looz Moritz , Rokas Antonis
Published: July 2017

Incongruence, or topological conflict, is prevalent in genome-scale data sets but relatively few measures have been developed to quantify it. Internode Certainty (IC) and related measures were recently introduced to explicitly quantify the level of incongruence of a given internode (or internal branch) among a set of phylogenetic trees and complement regular branch support statistics in assessing the confidence of the inferred phylogenetic relationships. Since most phylogenomic studies contain data partitions (e.g., genes) with missing taxa and IC scores stem from the frequencies of bipartitions (or splits) on a set of trees, the calculation of IC scores requires adjusting the frequencies of bipartitions from these partial gene trees. However, when the proportion of missing data is high, current approaches that adjust bipartition frequencies in partial gene trees tend to overestimate IC scores and alternative adjustment approaches differ substantially from each other in their scores. To overcome these issues, we developed three new measures for calculating internode certainty that are based on the frequencies of quartets, which naturally apply to both comprehensive and partial trees. Our comparison of these new quartet-based measures to previous bipartition-based measures on simulated data shows that: 1) on comprehensive trees, both types of measures yield highly similar IC scores; 2) on partial trees, quartet-based measures generate more accurate IC scores; and 3) quartet-based measures are more robust to the absence of phylogenetic signal and errors in the phylogenetic relationships to be assessed. Additionally, analysis of 15 empirical phylogenomic data sets using our quartet-based measures suggests that numerous relationships remain unresolved despite the availability of genome-scale data. Finally, we provide an efficient open-source implementation of these quartet-based measures in the programQuartetScores, which is freely available athttps://github.com/algomaus/QuartetScores.
Causal associations between risk factors and common diseases inferred from GWAS summary data
Authors: Zhu Zhihong , Zheng Zhili , Zhang Futao , Wu Yang , Trzaskowski Maciej , Maier Robert , Robinson Matthew R. , McGrath John J. , Visscher Peter M. , Wray Naomi R. , Yang Jian
Published: July 2017

Health risk factors such as body mass index (BMI), serum cholesterol and blood pressure are associated with many common diseases. It often remains unclear whether the risk factors are cause or consequence of disease, or whether the associations are the result of confounding. Genetic methods are useful to infer causality because genetic variants are present from birth and therefore unlikely to be confounded with environmental factors. We develop and apply a method (GSMR) that performs a multi-SNP Mendelian Randomization analysis using summary-level data from large genome-wide association studies (sample sizes of up to 405,072) to test the causal associations of BMI, waist-to-hip ratio, serum cholesterols, blood pressures, height and years of schooling (EduYears) with a range of common diseases. We identify a number of causal associations including a protective effect of LDL-cholesterol against type-2 diabetes (T2D) that might explain the side effects of statins on T2D, a protective effect of EduYears against Alzheimer’s disease, and bidirectional associations with opposite effects (e.g. higher BMI increases the risk of T2D but the effect T2D of BMI is negative). HDL-cholesterol has a significant risk effect on age-related macular degeneration, and the effect size remains significant accounting for the other risk factors. Our study develops powerful tools to integrate summary data from large studies to infer causality, and provides important candidates to be prioritized for further studies in medical research and for drug discovery.
Effects of population- and seed bank noise on neutral evolution and efficacy of natural selection
Authors: Heinrich Lukas , Müller Johannes , Tellier Aurélien , Živković Daniel
Published: July 2017

Population genetics models typically consider a fixed population size and a unique selection coefficient. However, population dynamics inherently generate noise in numbers of individuals and selection acts on various components of the individuals’ fitness. In plant species with seed banks, the size of both the above- and below-ground compartments present noise depending on seed production and the state of the seed bank. We investigate if this noise has consequences on 1) the rate of genetic drift, and 2) the efficacy of selection. We consider four variants of two-allele Moran-type models defined by combinations of presence and absence of noise in above-ground and seed bank compartments. Time scale analysis and dimension reduction methods allow us to reduce the corresponding Fokker-Planck equation to a one-dimensional diffusive Moran model. We first show that if the above-ground noise classically affects the rate of genetic drift, below-ground noise reduces the diversity storage effect of the seed bank. Second, we consider that selection can act on four different components of the plant fitness: plant or seed death rate, seed production or seed germination. Our striking result is that the efficacy of selection for seed death rate or germination rate is reduced by seed bank noise, whereas selection occurring on plant death rate or seed production is not affected. We derive the expected site-frequency spectrum reflecting this heterogeneity in selection efficacy between genes underpinning different plant fitness components. Our results highlight the importance to consider the effect of ecological noise to predict the impact of seed banks on neutral and selective evolution.
Genome-wide association study of depression phenotypes in UK Biobank (n = 322,580) identifies the enrichment of variants in excitatory synaptic pathways
Authors: Howard David M. , Adams Mark J. , Shirali Masoud , Clarke Toni-Kim , Marioni Riccardo E. , Davies Gail , Coleman Jonathan R. I. , Alloza Clara , Shen Xueyi , Barbu Miruna C. , Wigmore Eleanor M. , Gibson Jude , Hagenaars Saskia P. , Lewis Cathryn M. , Smith Daniel J. , Sullivan Patrick F. , Haley Chris S. , Breen Gerome , Deary Ian J. , McIntosh Andrew M.
Published: July 2017

Depression is a polygenic trait that causes extensive periods of disability and increases the risk of suicide, a leading cause of death in young people. Previous genetic studies have identified a number of common risk variants which have increased in number in line with increasing sample sizes. We conducted a genome-wide association study (GWAS) in the largest single population-based cohort to date, UK Biobank. This allowed us to estimate the effects of ≈ 8 million genetic variants in 320,000 people for three depression phenotypes: broad depression, probable major depressive disorder (MDD), and International Classification of Diseases (ICD, version 9 or 10)-coded MDD. Each phenotype was found to be significantly genetically correlated with the results from a previous independent study of clinically defined MDD. We identified 14 independent loci that were significantly associated (P < 5 × 10−8) with broad depression, two independent variants for probable MDD, and one independent variant for ICD-coded MDD. Gene-based analysis of our GWAS results with MAGMA revealed 46 regions significantly associated (P < 2.77 × 10−6) with broad depression, two significant regions for probable MDD and one significant region for ICD-coded MDD. Gene region-based analysis of our GWAS results with MAGMA revealed 59 regions significantly associated (P < 6.02 × 10−6) with broad depression, of which 27 were also detected by gene-based analysis. Variants for broad depression were enriched in pathways for excitatory neurotransmission, mechanosensory behavior, postsynapse, neuron spine and dendrite. This study provides a number of novel genetic risk variants that can be leveraged to elucidate the mechanisms of MDD and low mood.
Determining the specificity of Cascade binding, interference, and primed adaptationin vivoin theEscherichia colitype I-E CRISPR-Cas system
Authors: Cooper Lauren A. , Stringer Anne M. , Wade Joseph T.
Published: July 2017

In CRISPR-Cas immunity systems, short CRISPR RNAs (crRNAs) are bound by CRISPR-associated (Cas) proteins, and these complexes target invading nucleic acid molecules for degradation in a process known as interference. In type I CRISPR-Cas systems, the Cas protein complex that binds DNA is known as Cascade. Association of Cascade with target DNA can also lead to acquisition of new immunity elements in a process known as primed adaptation. Here, we assess the specificity determinants for Cascade-DNA interaction, interference, and primed adaptationin vivo, for the type I-E system ofEscherichia coli. Remarkably, as few as 5 bp of crRNA-DNA are sufficient for association of Cascade with a DNA target. Consequently, a single crRNA promotes Cascade association with numerous off-target sites, and the endogenousE. colicrRNAs direct Cascade binding to >100 chromosomal sites. In contrast to the low specificity of Cascade-DNA interactions, >18 bp are required for both interference and primed adaptation. Hence, Cascade binding to sub-optimal, off-target sites is inert. Our data support a model in which initial Cascade association with DNA targets requires only limited sequence complementarity at the crRNA 5□ end, whereas recruitment and/or activation of the Cas3 nuclease, a prerequisite for interference and primed adaptation, requires extensive base-pairing.

IMPORTANCE

Many bacterial and archaeal species encode CRISPR-Cas immunity systems that protect against invasion by foreign DNA. In theEscherichia coliCRISPR-Cas system, a protein complex, Cascade, binds 61 nt CRISPR RNAs (crRNAs). The Cascade complex is directed to invading DNA molecules through base-pairing between the crRNA and target DNA. This leads to recruitment of the Cas3 nuclease that destroys the invading DNA molecule and promotes acquisition of new immunity elements. We make the firstin vivomeasurements of Cascade binding to DNA targets. Thus, we show that Cascade binding to DNA is highly promiscuous; endogenousE. colicrRNAs can direct Cascade binding to >100 chromosomal locations. By contrast, we show that target degradation and acquisition of new immunity elements requires highly specific association of Cascade with DNA, limiting CRISPR-Cas function to the appropriate targets.
Double-digest RAD sequencing outperforms microsatellite loci at assigning paternity and estimating relatedness: a proof of concept in a highly promiscuous bird
Authors: Thrasher Derrick J. , Butcher Bronwyn G. , Campagna Leonardo , Webster Michael S. , Lovette Irby J.
Published: July 2017

Information on genetic relationships among individuals is essential to many studies of the behavior and ecology of wild organisms. Parentage and relatedness assays based on large numbers of SNP loci hold substantial advantages over the microsatellite markers traditionally used for these purposes. We present a double-digest restriction site-associated DNA sequencing (ddRAD-seq) analysis pipeline that, as such, simultaneously achieves the SNP discovery and genotyping steps and which is optimized to return a statistically powerful set of SNP markers (typically 150-600 after stringent filtering) from large numbers of individuals (up to 240 per run). We explore the tradeoffs inherent in this approach through a set of experiments in a species with a complex social system, the variegated fairy-wren (Malurus lamberti), and further validate it in a phylogenetically broad set of other bird species. Through direct comparisons with a parallel dataset from a robust panel of highly variable microsatellite markers, we show that this ddRAD-seq approach results in substantially improved power to discriminate among potential relatives and considerably more precise estimates of relatedness coefficients. The pipeline is designed to be universally applicable to all bird species (and with minor modifications to many other taxa), to be cost- and time-efficient, and to be replicable across independent runs such that genotype data from different study periods can be combined and analyzed as field samples are accumulated.
Trajectory-Based Parameterization of a Coarse-Grained Forcefield for High-Thoughput Protein Simulation
Authors: Jumper John M. , Freed Karl F. , Sosnick Tobin R.
Published: July 2017

The traditional trade-off in biomolecular simulation between accuracy and computational efficiency is predicated on the assumption that detailed forcefields are typically well-parameterized (i.e. obtaining a significant fraction of possible accuracy). We re-examine this trade-off in the more realistic regime in which parameterization is a greater source of bias than the level of detail in the forcefield. To address parameterization of coarse-grained forcefields, we use the contrastive divergence technique from machine learning to train directly from simulation trajectories on 450 proteins. In our scheme, the computational efficiency of the model enables high accuracy through precise tuning of the Boltzmann ensemble over a large collection of proteins. This method is applied to our recently developedUpsidemodel [1], where the free energy for side chains are rapidly calculated at every time-step, allowing for a smooth energy landscape without steric rattling of the side chains. After our contrastive divergence training, the model is able to fold proteins up to approximately 100 residuesde novoon a single core in CPU core-days. Additionally, the improvedUpsidemodel is a strong starting point both for investigation of folding dynamics and as an inexpensive Bayesian prior for protein physics that can be integrated with additional experimental or bioinformatic data.
Alpha-synuclein fibrils induce autophagy in microglial cells as a consequence of lysosomal damage
Authors: Bussi Claudio , Ramos Javier M. Peralta , Arroyo Daniela S. , Gallea Jose I. , Ronchi Paolo , Kolovou Androniki , Wang Ji M. , Florey Oliver , Celej Maria S. , Schwab Yannick , Ktistakis Nicholas T. , Iribarren Pablo
Published: July 2017

Autophagy is a constitutive lysosomal catabolic pathway that degrades damaged organelles and protein aggregates. In Parkinson’s disease, the synaptic protein alpha-synuclein (AS) accumulates in neuronal cell bodies and axons. Recent studies indicate that aggregation-prone proteins can spread to other brain cells - such as glia - contributing to progressive deterioration.

Although autophagic dysfunction and protein aggregation have been linked to several neurodegenerative disorders, exact mechanisms are not clear and most work was done in neurons and not on microglial cells.

Here we report that AS fibrils but not monomers induce lysosomal damage and autophagy in microglial cells and we extensively characterized the dynamics of this response by both live-cell imaging and correlative light-electron microscopy (CLEM). In addition, we found that autophagy inhibition in these cells impairs mitochondrial quality and leads to microglial cell death. We propose that AS accumulation in lysosomes leads to lysosomal damage, which in turn activates canonical autophagy as a rescue mechanism.

Our results provide novel findings about the interaction between AS and the autophagy pathway in microglial cells, which may be important for targeting protein misfolding-associated neurodegenerative diseases.
Synthesis, structure and non-linear optical properties of new isostructural β-D-fructopyranose alkaline halide metal–organic frameworks: a theoretical and an experimental study
Authors: Marabello Domenica , Antoniotti Paola , Benzi Paola , Canepa Carlo , Mortati Leonardo , Sassi Maria Paola
Published: July 2017

In this work four metal–organic framework isomorphs, based on fructose and alkali-earth halogenides, were investigated to better understand the effect of the size of the cation and the different polarizability of the anion on the calculated hyperpolarizability and optical susceptibility, which are correlated to non-linear optical properties. The compounds were characterized by X-ray diffraction and the first hyperpolarizability and the second-order susceptibility were obtained from theoretical calculations. Furthermore, a new method to measure the second-harmonic (SH) efficiency on a small quantity of powder at different wavelengths of excitation was optimized and an attempt was made to assess the reduction of the SH intensity for small quantities of nano-crystals, in order to ascertain the possibility of applications in biological systems. The results of this work show that both the intrinsic nature of the anion and the induced dissociation of cations and anions by fructose play a role in the second-harmonic generating properties of such compounds.
Crystal structures of η′′-Cu3+xSi and η′′′-Cu3+xSi
Authors: Corrêa Cinthia Antunes , Perez Olivier , Kopeček Jaromír , Brázda Petr , Klementová Mariana , Palatinus Lukáš
Published: July 2017

The binary phase diagram of Cu–Si is unexpectedly complex in the vicinity of Cu3+xSi. The low-temperature region contains three closely related incommensurately modulated phases denoted, in order of increasing temperature of stability, η′′′, η′′ and η′. The structure analysis of η′ has been reported previously [Palatinuset al. (2011).Inorg. Chem.50, 3743]. Here the structure model for the phases η′′ and η′′′ is reported. The structures could be solved in superspace, but no superspace structure model could be constructed due to the complexity of the modulation functions. Therefore, the structures were described in a supercell approximation, which involved a 4 × 4 × 3 supercell for the η′′ phase and a 14 × 14 × 3 supercell for the η′′′ phase. Both structures are very similar and differ only by a subtle symmetry lowering from η′′ to η′′′. A comparison of the structure models of η′′ and η′′′ with the reported structure of η′ suggests that the reported structure model of η′ contains an incorrect assignment of atomic types.
Charge density studies of 3dmetal (Ni/Cu) complexes with a non-innocent ligand
Authors: Chuang Yu-Chun , Sheu Chou-Fu , Lee Gene-Hsiang , Chen Yu-Sheng , Wang Yu
Published: July 2017

High-resolution X-ray diffraction experiments and atom-specific X-ray absorption experiments are applied to investigate a series of square planar complexes with the non-innocent ligand of maleonitriledithiolate (mnt), [S2C2(CN)2]z−, containingM—S bonds. Four complexes of (PyH)z[M(mnt)2]z−, whereM= Ni or Cu,z= 2 or 1 and PyH+= C5NH6+, were studied in order to clarify whether such one-electron oxidation–reduction, [M(mnt)2]2−/[M(mnt)2]1−, is taking place at the metal or the ligand site. Combining the techniques of metalK-,L-edge and SK-edge X-ray absorption spectroscopy with high-resolution X-ray charge density studies, it is unambiguously demonstrated that the electron redox reaction is ligand based and metal based for Ni and Cu pairs, respectively. The bonding characters in terms of topological properties associated with the bond critical points are compared between the oxidized form [ML]−and the reduced form [ML]2−. In the case of Ni complexes, the formal oxidation state of Ni remains as Ni2+and each mnt ligand carries a 2− charge in [Ni(mnt)2]2−, but only one of the ligands is formally oxidized in [Ni(mnt)2]1−. In contrast, in the case of Cu complexes, the mnt remains as 2− in both complexes, but the formal oxidation states of the metal are Cu2+and Cu3+. Bond characterizations andd-orbital populations will be presented. The complementary results of XAS, XRD and DFT calculations will be discussed. The conclusion on the redox reactions in these complexes can be firmly established.
Revisiting the charge density analysis of 2,5-dichloro-1,4-benzoquinone at 20 K
Authors: Chua Zhijie , Zarychta Bartosz , Gianopoulos Christopher G. , Zhurov Vladimir V. , Pinkerton A. Alan
Published: July 2017

A high-resolution X-ray diffraction measurement of 2,5-dichloro-1,4-benzoquinone (DCBQ) at 20 K was carried out. The experimental charge density was modeled using the Hansen–Coppens multipolar expansion and the topology of the electron density was analyzed in terms of the quantum theory of atoms in molecules (QTAIM). Two different multipole models, predominantly differentiated by the treatment of the chlorine atom, were obtained. The experimental results have been compared to theoretical results in the form of a multipolar refinement against theoretical structure factors and through direct topological analysis of the electron density obtained from the optimized periodic wavefunction. The similarity of the properties of the total electron density in all cases demonstrates the robustness of the Hansen–Coppens formalism. All intra- and intermolecular interactions have been characterized.
Formation of local spin-state concentration waves during the relaxation from a photoinduced state in a spin-crossover polymer
Authors: Mariette Céline , Trzop Elzbieta , Zerdane Serhane , Fertey Pierre , Zhang Daopeng , Valverde-Muñoz Francisco J. , Real José-Antonio , Collet Eric
Published: July 2017

The complex relaxation from the photoinduced high-spin phase (PIHS) to the low-spin phase of the bimetallic two-dimensional coordination spin-crossover polymer [Fe[(Hg(SCN)3)2](4,4′-bipy)2]nis reported. During the thermal relaxation, commensurate and incommensurate spin-state concentration waves (SSCWs) form. However, contrary to the steps forming at thermal equilibrium, associated with long-range SSCW order, the SSCWs forming during the relaxation from the PIHS phase correspond to short-range order, revealed by diffuse X-ray scattering. This is interpreted as resulting from the competition between the two types of SSCW order and another structural symmetry breaking, due to ligand ordering, occurring at low temperature and precluding long-range SSCW order.
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical
Authors: Voufack Ariste Bolivard , Claiser Nicolas , Lecomte Claude , Pillet Sébastien , Pontillon Yves , Gillon Béatrice , Yan Zeyin , Gillet Jean-Michel , Marazzi Marco , Genoni Alessandro , Souhassou Mohamed
Published: July 2017

Joint refinement of X-ray and polarized neutron diffraction data has been carried out in order to determine charge and spin density distributions simultaneously in the nitronyl nitroxide (NN) free radical Nit(SMe)Ph. For comparison purposes, density functional theory (DFT) and complete active-space self-consistent field (CASSCF) theoretical calculations were also performed. Experimentally derived charge and spin densities show significant differences between the two NO groups of the NN function that are not observed from DFT theoretical calculations. On the contrary, CASSCF calculations exhibit the same fine details as observed in spin-resolved joint refinement and a clear asymmetry between the two NO groups.
5-Methylpyrazine-2-carboxamide
Authors: Rillema D. Paul , Senaratne Nilmini K. , Moore Curtis , KomReddy Venugopal
Published: July 2017

The title compound, C6H7N3O, is nearly planar, with a dihedral angle of 2.14 (11)° between the pyrazine ring and the mean plane of the carboxamide group [C—C(=O)—N]. In the crystal, molecules are linked via pairs of N—H...O hydrogen bonds forming inversion dimers with an R
2
2(8) ring motif. These dimers are further linked by a pair of N—H...N hydrogen bonds, enclosing an R
2
2(10) ring motif, and C—H...O hydrogen bonds, forming ribbons lying parallel to the ab plane. The ribbons are linked by offset π–π interactions [intercentroid distance = 3.759 (1) Å], forming two sets of mutually perpendicular slabs parallel to planes (110) and (1-10).
Board independence, gender diversity and CEO compensation
Authors: Benkraiem Ramzi , Hamrouni Amal , Lakhal Faten , Toumi Nadia
Published: July 2017

Purpose

This paper aims to investigate the joint effect of board independence and gender diversity on the effectiveness of boards in monitoring CEO compensation in a continental European context, i.e. France.

Design/methodology/approach

Fixed-effect regressions are used to study the impact of board independence, gender diversity and their interaction, i.e. the proportion of female independent directors on the different components of CEO compensation (total, fixed and variable).

Findings

The authors observe that both the proportions of independent directors and women sitting on the boards positively influence the various components of CEO compensation. However, the interaction of these factors, i.e. the proportion of female independent directors, is negatively associated with CEO compensation. These results suggest that independent women directors improve board effectiveness in monitoring CEO compensation, especially its fixed component.

Originality/value

The results of this research help to elucidate the importance of women being appointed to boards as independent directors to properly monitor managerial pay. These results provide support to the approach of the French Cope-Zimmerman law of January 2011, which promotes female representation on boards as independent directors to enhance board decision-making. Thus, evidence presented and discussed in this paper should provide useful insights for academics, corporate managers and regulators.
Corporate governance and firm performance in Malaysia
Authors: Bhatt Padmanabha Ramachandra , Bhatt R. Rathish
Published: July 2017

Purpose

The purpose of this paper is to study the effect of Malaysian Code on Corporate Governance (MCCG, 2007 and 2012) on the performance of the listed companies in Malaysia. The agency theory and resource dependency theories indicate that the firms with strong corporate governance outperform firms with weaker governance. This paper explores this relationship in a developing country like Malaysia having different institutional environment compared to western countries.

Design/methodology/approach

The study used a sample of 113 listed companies in Malaysia. The study incorporates the endogenous relationship between corporate governance, firm performance and leverage.

Findings

The study analyzes how the corporate governance framework affected firm performance in Malaysia with the help of self-developed corporate governance index (MCGI). The authors’ findings show that the performance of the firm is positively and significantly related with corporate governance measured by MCGI. Secondly, corporate governance of sample firms shows marked improvements after implementation of MCCG 2012 as compared to MCCG 2007.

Originality/value

The findings of this paper support the agency and the resource dependency theories. The study contributes to the understanding of the relationship between the corporate governance and firm performance in emerging economy and builds a case for enforcement of strong corporate governance code by government agencies.
Financial transparency, corporate governance and information disclosure of the entrepreneur’s corporation in Rastin banking
Authors: Bidabad Bijan , Amirostovar Azarang , Sherafati Mahshid
Published: July 2017

Purpose

This paper aims to define a set of operating regulations for financial transparency, corporate governance and information disclosure for the entrepreneur that applies to bank to receive financial resources.

Design/methodology/approach

Corporate governance, financial transparency and information disclosure are among the most important solutions to attract public trust to financial operations. To reach this goal, a new set of regulations must be designed to solve the problem. In this regard, Rastin Banking regulations can provide a base to obtain a better circulation of information and a higher clarity.

Findings

A draft of regulations for financial transparency, corporate governance and information disclosure was compiled, and it is presented here briefly in this paper, which can be used as a basis for codification of the respective law.

Research limitations

As such kinds of regulations are novel, they are required to be discussed first, and after adaptation, adjustment and performing the necessary modifications, the text of the law can be codified.

Practical implications

Banks and companies managers, through granting various concessions to themselves and their own stakeholders, have violated the rights of the shareholders, depositors and other stakeholders. This issue, to a great extent is adjustable by applying the governance methods.

Social implications

This procedure is a model and can be adopted in other countries, especially in countries that have large ambiguities in their banking and financial operations.

Originality value

Clearly, lack of transparency in financial operations can gradually weaken the trust of depositors, shareholders and stakeholders, and result in probable abuses and damages to all parties of banking contracts. This paper fulfils an identified need and solves the practical problem in financial abuses, corruption and collusion and can provide positive and important effects toward creating public trust in financial operations.
Accounting development in a changing environment: the case of Tunisia
Authors: Ben Slama Fatma , Klibi Mohamed Faker
Published: July 2017

Purpose

The purpose of this paper is to discuss accounting development in Tunisia, which is a developing North African country little known in the international accounting literature.

Design/methodology/approach

Methodologically, this paper is based on an exploratory approach. It uses the descriptive tradition of research by collecting and analyzing numerical and narrative data to identify and describe environmental factors that favor or hamper accounting development in Tunisia.

Findings

This paper indicates that Tunisian companies have been applying the Enterprise Accounting System (EAS) since 1996. This system, while keeping with the logic of a chart of accounts, represents a first attempt to harmonize with international accounting standards. Accounting harmonization in Tunisia is meant to support the strategy, launched in the early 1990s, to integrate the country into the globalization process. Accordingly, the EAS has helped to achieve macroeconomic benefits (public interests). However, it does not lead to the desired level of financial transparency (private interests), especially that of large companies. Currently, Tunisian Accounting Standards neither reflect the rapid evolution of business activity nor changes in international accounting standards. This unachieved harmonization has led some listed companies to comply with some International Financial Reporting Standards which are not included in the EAS.

Research limitations/implications

The unachieved harmonization in Tunisia is mainly related to the political system, taxation factors, the legal system, the weak state of corporate governance and governmental control over standardization.

Practical implications

This paper provides insights into the problems of developing countries that harmonize with international standards to achieve public interests. These countries may encounter many difficulties in bringing their accounting standards up to date. These difficulties seem to be associated with environmental specificities. Accordingly, international standardization bodies and developing country regulators should take into account environmental factors which are determinant for the harmonization decision to succeed.

Originality/value

This paper contributes to the existing literature on accounting development in developing countries. It implies that recent accounting development, as it is designed in Tunisia, is better suited to the needs of small businesses. Large companies would be compelled to complement local generally accepted accounting principles by standards they choose, voluntarily, among international standards.
Systemic banking crises: completing the enhanced policy responses
Authors: Frecaut Olivier
Published: July 2017

Purpose

This paper aims to suggest ways to complete the enhancement of the policy responses to systemic banking crises that followed the Great Financial Crisis.

Design/methodology/approach

An integrated macrofinancial analytical framework was designed to overcome the segregation between macro work, based on national accounting concepts, and prudential oversight of financial institutions, based on business accounting and concepts.

Findings

The design and implementation of the integrated macrofinancial framework are within reach, supported by extensive ongoing research work around the world, and correspond to rising expectations by the international community. It will lead to improvements in the way systemic banking crises are managed. Even more importantly, it offers a promising avenue to make further progress in the prevention of future crises.

Research limitations/implications

The main limitations are the need to overcome the well-known constraints of national accounting, and to overcome the enduring silo separating macro-economists from financial sector experts. The implications are the need for extensive additional interaction between these two groups of experts.

Practical implications

The practical, operational implications are extensive, and could yield a major impact on the global financial stability work agenda. The design of policy responses to systemic banking crises could be profoundly affected, in particular with regard to the target of these responses (corporates vs banks in particular).

Social implications

The direct and indirect costs of systemic banking crises could be reduced, with widespread benefits for society at large.

Originality/value

This is a fully original new proposed approach with extensive operational value for practitioners.
Macroprudential policy – closing the financial stability gap
Authors: Fahr Stephan , Fell John
Published: July 2017

Purpose

The global financial crisis demonstrated that monetary policy alone cannot ensure both price and financial stability. According to the Tinbergen (1952) rule, there was a gap in the policymakers’ toolkit for safeguarding financial stability, as the number of available policy instruments was insufficient relative to the number of policy objectives. That gap is now being closed through the creation of new macroprudential policy instruments. Both monetary policy and macroprudential policy have the capacity to influence both price and financial stability objectives. This paper develops a framework for determining how best to assign instruments to objectives.

Design/methodology/approach

Using a simplified New-Keynesian model, the authors examine two sets of policy trade-offs, the first concerning the relative effectiveness of monetary and macroprudential policy instruments in achieving price and financial stability objectives and the second concerning trade-offs between macroprudential policy instruments themselves.

Findings

This model shows that regardless of whether the objective is to enhance financial system resilience or to moderate the financial cycle, macroprudential policies are more effective than monetary policy. Likewise, monetary policy is more effective than macroprudential policy in achieving price stability. According to the Mundell (1962) principle of effective market classification, this implies that macroprudential policy instruments should be paired with financial stability objectives, and monetary policy instruments should be paired with the price stability objective. The authors also find a trade-off between the two sets of macroprudential policy instruments, which indicates that failure to moderate the financial cycle would require greater financial system resilience.

Originality/value

The main contribution of the paper is to establish – with the help of a model framework – the relative effectiveness of monetary and macroprudential policies in achieving price and financial stability objectives. By so doing, it provides a rationale for macroprudential policy and it shows how macroprudential policy can unburden monetary policy in leaning against the wind of financial imbalances.
Workforce flexibility – in defence of professional healthcare work
Authors: Wise Sarah , Duffield Christine , Fry Margaret , Roche Michael
Published: July 2017

Purpose

The desirability of having a more flexible workforce is emphasised across many health systems yet this goal is as ambiguous as it is ubiquitous. In the absence of empirical studies in healthcare that have defined flexibility as an outcome, the purpose of this paper is to draw on classic management and sociological theory to reduce this ambiguity.

Design/methodology/approach

The paper uses the Weberian tool of “ideal types”. Key workforce reforms are held against Atkinson’s model of functional flexibility which aims to increase responsiveness and adaptability through multiskilling, autonomy and teams; and Taylorism which seeks stability and reduced costs through specialisation, fragmentation and management control.

Findings

Appeals to an amorphous goal of increasing workforce flexibility make an assumption that any reform will increase flexibility. However, this paper finds that the work of healthcare professionals already displays most of the essential features of functional flexibility but many widespread reforms are shifting healthcare work in a Taylorist direction. This contradiction is symptomatic of a failure to confront inevitable trade-offs in reform: between the benefits of specialisation and the costs of fragmentation; and between management control and professional autonomy.

Originality/value

The paper questions the conventional conception of “the problem” of workforce reform as primarily one of professional control over tasks. Holding reforms against the ideal types of Taylorism and functional flexibility is a simple, effective way the costs and benefits of workforce reform can be revealed.