bluuebunny/crossref_metadata_2025 huggingface dataset:
The Licensure Issue in I-O Psychology: Are We Trying to Police the Police?
Authors: Riggio Ronald E. , Saggi Karan
Published: June 2017

Many industrial and organizational (I-O) and consulting psychologists who engage in practice of their profession, for example as “management consultants,” compete against consultants with a wide array of backgrounds and disciplinary degrees. Indeed, in consulting work, one of us has competed against practitioners with backgrounds in fields ranging from accounting (CPAs) to sociology, communication, anthropology, business administration, and even those with degrees in divinity.
SKDA in Context
Authors: Macey William H. , Daum Diane L.
Published: June 2017

In contrast to the view that survey key driver analysis (SKDA) is a misused and blind empirical process, we suggest it is a reasonable, hypothesis-driven approach that builds on cumulative knowledge drawn from both the literature and practice, and requires reasoned judgment about the relationships of individual items to the constructs they represent and the criteria of interest. The logic of key driver analysis in applied settings is no different than the logic of its application in fundamental research regarding employee attitudes (e.g., Dalal, Baysinger, Brummel, & LeBreton, 2012). However, there are important survey design and analysis issues with respect to how key driver analyses are best conducted. Just some of these are discussed below.
Regional climate of the Larsen B embayment 1980–2014
Authors: LEESON A. A. , VAN WESSEM J. M. , LIGTENBERG S. R. M. , SHEPHERD A. , VAN DEN BROEKE M. R. , KILLICK R. , SKVARCA P. , MARINSEK S. , COLWELL S.
Published: June 2017

Understanding the climate response of the Antarctic Peninsula ice sheet is vital for accurate predictions of sea-level rise. However, since climate models are typically too coarse to capture spatial variability in local scale meteorological processes, our ability to study specific sectors has been limited by the local fidelity of such models and the (often sparse) availability of observations. We show that a high-resolution (5.5 km × 5.5 km) version of a regional climate model (RACMO2.3) can reproduce observed interannual variability in the Larsen B embayment sufficiently to enable its use in investigating long-term changes in this sector. Using the model, together with automatic weather station data, we confirm previous findings that the year of the Larsen B ice shelf collapse (2001/02) was a strong melt year, but discover that total annual melt production was in fact ~30% lower than 2 years prior. While the year before collapse exhibited the lowest melting and highest snowfall during 1980–2014, the ice shelf was likely pre-conditioned for collapse by a series of strong melt years in the 1990s. Melt energy has since returned to pre-1990s levels, which likely explains the lack of further significant collapse in the region (e.g. of SCAR Inlet).
Economic Development, Mobility, and Political Discontent: An Experimental Test of Tocqueville’s Thesis in Pakistan
Authors: HEALY ANDREW , KOSEC KATRINA , MO CECILIA HYUNJUNG
Published: June 2017

We consider the thesis of Alexis de Tocqueville (1856) that economic development and increased mobility may generate political discontent not present in more stagnant economies. For many citizens, as they become aware of the potential for improved living standards, their aspirations may increase faster than actual living standards. Expanded opportunity may then paradoxically result in dissatisfaction with government rather than greater confidence. We develop a formal model to capture Tocqueville’s (1856) verbal theory and test its predictions using a 2012–2013 face-to-face survey experiment conducted in Pakistan. The experiment utilizes established treatments to subtly manipulate either a participant’s perceptions of her own economic well-being, her perceptions of society-wide mobility, or both. As predicted by the theory, political discontent rises when declining personal well-being coincides with high mobility to create unrealized aspirations. The results thus identify the conditions under which expanded economic opportunity can lead to political unrest.
Sequencing, characterization and phylogenomics of the complete mitochondrial genome of Dactylogyrus lamellatus (Monogenea: Dactylogyridae)
Authors: Zhang D. , Zou H. , Wu S.G. , Li M. , Jakovlić I. , Zhang J. , Chen R. , Wang G.T. , Li W.X.
Published: June 2017

Despite the worldwide distribution and pathogenicity of monogenean parasites belonging to the largest helminth genus, Dactylogyrus, there are no complete Dactylogyrinae (subfamily) mitogenomes published to date. In order to fill this knowledge gap, we have sequenced and characterized the complete mitogenome of Dactylogyrus lamellatus, a common parasite on the gills of grass carp (Ctenopharyngodon idella). The circular mitogenome is 15,187 bp in size, containing the standard 22 tRNA genes, 2 rRNA genes, 12 protein-encoding genes and a long non-coding region (NCR). There are two highly repetitive regions in the NCR. We have used concatenated nucleotide sequences of all 36 genes to perform the phylogenetic analysis using Bayesian inference and maximum likelihood approaches. As expected, the two dactylogyrids, D. lamellatus (Dactylogyrinae) and Tetrancistrum nebulosi (Ancyrocephalinae), were closely related to each other. These two formed a sister group with Capsalidae, and this cluster finally formed a further sister group with Gyrodactylidae. Phylogenetic affinity between Dactylogyrinae and Ancyrocephalinae was further confirmed by the similarity in their gene arrangement. The sequencing of the first Dactylogyrinae, along with a more suitable selection of outgroups, has enabled us to infer a much better phylogenetic resolution than recent mitogenomic studies. However, as many lineages of the class Monogenea remain underrepresented or not represented at all, a much larger number of mitogenome sequences will have to be available in order to infer the evolutionary relationships among the monogeneans fully, and with certainty.
Dementia in the workplace case study research: understanding the experiences of individuals, colleagues and managers
Authors: RITCHIE LOUISE , TOLSON DEBBIE , DANSON MIKE
Published: June 2017

This article reports case study research which addresses the gap in knowledge about dementia in the workplace. Receiving a diagnosis of dementia whilst still in employment may have negative consequences for a person's identity, further compounded by loss of employment. This study is the first to explore the employment-related experiences of people with dementia and their employers to determine the potential for continued employment post-diagnosis. Sixteen case studies centred on a person with dementia who was still in employment or had left in the previous 18 months. Each involved interviews with the person with dementia, a family member and a workplace representative. This triangulation of the data promoted rigour, allowing the experiences to be viewed through a variety of lenses to build a clear picture of each situation. Thematic analysis was carried out and three themes were developed: (a) dementia as experienced in the workplace; (b) work keeps me well; and (c) wider impact of dementia in the workplace. These findings have the potential to initiate changes to policy and practice related to supporting employees with dementia. The implications of this research are multifaceted and need to be considered in terms of the individuals’ wellbeing, organisational support, as well as the wider theoretical, economic and societal consequences of supporting an employee with dementia.
Effect of Inaugurating the Third Set of Locks in the Panama Canal on Vessel Size, Manoeuvring and Lockage Time
Authors: Carral Luis , Tarrío-Saavedra Javier , Naya Salvador , Bogle Johnny , Sabonge Rodolfo
Published: June 2017

The Panama Canal (PC) has recently been in the world spotlight. In August 2014, it celebrated 100 years of uninterrupted service and, in June 2016, the expansion project for the canal was inaugurated. The final project involved building a third set of locks. Once the canal started to operate, it could be seen that the way in which vessels transited the canal remained the same. However, the dimensions of locks and their revised operating procedures have had an effect on vessel size and the manoeuvres for the larger vessels. After the first transit on 26 June 2016, it was possible to have access to data on the new lockage systems for Neopanamax ships. The thorough statistical study of these new datasets (composed of Analysis of Variance (ANOVA), multivariate regression and statistical quality control techniques) has shown the main drivers of transit time across the Cocolí and Agua Clara locks. It has also made it possible to test the learning curve of Panama Canal pilots in the newly expanded canal. The effects of pilot training on the time it takes to transit through the locks, direction of entry in each lock, the type of vessel, vessel dimensions and the use of different types of manoeuvres have been analysed. The results are used to characterise and help optimise the performance of this new and unique lock system.
Constraint answer set solver EZCSP and why integration schemas matter
Authors: BALDUCCINI MARCELLO , LIERLER YULIYA
Published: June 2017

Researchers in answer set programming and constraint programming have spent significant efforts in the development of hybrid languages and solving algorithms combining the strengths of these traditionally separate fields. These efforts resulted in a new research area: constraint answer set programming. Constraint answer set programming languages and systems proved to be successful at providing declarative, yet efficient solutions to problems involving hybrid reasoning tasks. One of the main contributions of this paper is the first comprehensive account of the constraint answer set language and solver ezcsp, a mainstream representative of this research area that has been used in various successful applications. We also develop an extension of the transition systems proposed by Nieuwenhuis et al. in 2006 to capture Boolean satisfiability solvers. We use this extension to describe the ezcsp algorithm and prove formal claims about it. The design and algorithmic details behind ezcsp clearly demonstrate that the development of the hybrid systems of this kind is challenging. Many questions arise when one faces various design choices in an attempt to maximize system's benefits. One of the key decisions that a developer of a hybrid solver makes is settling on a particular integration schema within its implementation. Thus, another important contribution of this paper is a thorough case study based on ezcsp, focused on the various integration schemas that it provides.
The BIALL Annual Law Firm Library Survey 2015/2016
Authors:   BIALL Working Group
Published: June 2017

The BIALL annual law firm survey was launched in October 2016. The aim was to understand standard practice across the law firm library sector and to benchmark certain aspects of a library's service against other firms, providing a year-on-year comparison of how the profession is changing. This is an overview of how the survey came about and a summary of the key findings from the first year's results. It was written by the Working Group members. The full survey results can be found on the BIALL website1.
The risk of stroke after prenatal exposure to famine
Authors: Horenblas J. , de Rooij S. R. , Roseboom T. J.
Published: June 2017

Prenatal exposure to famine is associated with an increased risk of metabolic and cardiovascular diseases in the offspring at adult age. The aim of this study was to assess whether prenatal exposure to undernutrition increases the risk of stroke. This study was performed in the Dutch famine birth cohort, which consist of 2414 members who were born between 1943 and 1947 in the Netherlands. In a subsample of 1177 individuals, interviews were conducted using standardized questionnaires to obtain information about medical history (which included specific questions regarding stroke) and lifestyle. Information on stroke-related mortality was collected by linking the cohort with Statistics Netherlands. A Cox’s proportional hazard analysis was performed to calculate hazard ratios (HRs) comparing the incidence of non-fatal stroke between participants who were exposed, subdivided into early, mid and late gestation, and unexposed to famine prenatally. Three cohort members died of stroke. Of the 1177 subjects who responded to the questionnaires 49 (4.2%) survived a stroke. Unadjusted and adjusted HRs for the risk of non-fatal stroke did not show a significant difference between the unexposed and exposed subjects: HR 1.23 (95% CI 0.53–2.83), HR 1.23 (95% CI 0.53–2.82), HR 1.12 (95% CI 0.46–2.71) for those exposed in late, mid and early gestation, respectively. We were unable to find evidence for a major effect of prenatal exposure to famine on the risk of stroke in later life, although one should be aware that this study was underpowered and the study population too selected and young to identify smaller risks.
Anastomotic leak after surgical repair of type A aortic dissection – prevalence and consequences in midterm follow-up
Authors: Ghazy Tamer , Mahlmann Adrian , Fajfrova Zuzana , Darwish Ayham , Eraqi Mohamed , Hegelmann Helena , Hoffmann Ralf-Thorsten , Ouda Ahmed , Matschke Klaus , Kappert Utz , Weiss Norbert
Published: June 2017

Abstract. Background: This study reports the mid-term prevalence and therapeutic consequences of anastomotic leaks after surgery for Stanford type A aortic dissections. Patients and methods: From July 2007 to July 2013, 93 patients survived surgery for acute type A dissections at our center and underwent a standardized follow-up. The pre-, peri-, and postoperative as well as the midterm results were collected prospectively. Follow-up computed tomography (CT) imaging was performed 7 days, 3, and 12 months after surgery, and yearly thereafter, to assess the presence or progression of anastomotic leaks at the aorto-prosthesis anastomotic sites. Results: The mean follow-up was 4 years (1534 ± 724 days). Follow-up CT revealed anastomotic leaks in 4 patients (4.3 %). All leaks developed during midterm follow-up and half of them did not increase with time. Two patients required redo surgery for an increase in periaortic extravasation and compression of neighboring structures. Further analysis was not able to reveal independent risk factors for development or deterioration of leaks. Conclusions: Anastomotic leaks after surgery for Stanford Type A aortic dissection can develop in midterm follow-up, even after initially excellent results. Meticulous follow-up is mandatory to detect possible deterioration and a need for redo surgery.
Understanding the mechanism of catalytic fast pyrolysis by unveiling reactive intermediates in heterogeneous catalysis
Authors: Hemberger Patrick , Custodis Victoria B. F. , Bodi Andras , Gerber Thomas , van Bokhoven Jeroen A.
Published: June 2017

Catalytic fast pyrolysis is a promising way to convert lignin into fine chemicals and fuels, but current approaches lack selectivity and yield unsatisfactory conversion. Understanding the pyrolysis reaction mechanism at the molecular level may help to make this sustainable process more economic. Reactive intermediates are responsible for product branching and hold the key to unveiling these mechanisms, but are notoriously difficult to detect isomer-selectively. Here, we investigate the catalytic pyrolysis of guaiacol, a lignin model compound, using photoelectron photoion coincidence spectroscopy with synchrotron radiation, which allows for isomer-selective detection of reactive intermediates. In combination with ambient pressure pyrolysis, we identify fulvenone as the central reactive intermediate, generated by catalytic demethylation to catechol and subsequent dehydration. The fulvenone ketene is responsible for the phenol formation. This technique may open unique opportunities for isomer-resolved probing in catalysis, and holds the potential for achieving a mechanistic understanding of complex, real-life catalytic processes.
Common mechanism of thermodynamic and mechanical origin for ageing and crystallization of glasses
Authors: Yanagishima Taiki , Russo John , Tanaka Hajime
Published: June 2017

The glassy state is known to undergo slow structural relaxation, where the system progressively explores lower free-energy minima which are either amorphous (ageing) or crystalline (devitrification). Recently, there is growing interest in the unusual intermittent collective displacements of a large number of particles known as ‘avalanches’. However, their structural origin and dynamics are yet to be fully addressed. Here, we study hard-sphere glasses which either crystallize or age depending on the degree of size polydispersity, and show that a small number of particles are thermodynamically driven to rearrange in regions of low density and bond orientational order. This causes a transient loss of mechanical equilibrium which facilitates a large cascade of motion. Combined with previously identified phenomenology, we have a complete kinetic pathway for structural change which is common to both ageing and crystallization. Furthermore, this suggests that transient force balance is what distinguishes glasses from supercooled liquids.
The Sulfoquinovosyltransferase-like Enzyme SQD2.2 is Involved in Flavonoid Glycosylation, Regulating Sugar Metabolism and Seed Setting in Rice
Authors: Zhan Xinqiao , Shen Qingwen , Wang Xuemin , Hong Yueyun
Published: June 2017

Seed setting is an important trait that contributes to seed yield and relies greatly on starch accumulation. In this study, a sulfoquinovosyl transferase-like protein, designated as SQD2.2 involved in seed setting and flavonoid accumulation, was identified and characterized in rice. Rice SQD2.2 is localized to the cytoplasm, and the SQD2.2 transcript was highest in leaves. Rice SQD2.2-overexpressing (OE) plants exhibited a decreased seed setting rate and diminished tiller number simultaneously with an increased glycosidic flavonoid level compared with wild-type (WT) plants. SQD2.2 catalyzes the glycosylation of apigenin to produce apigenin 7-O-glucoside using uridine diphosphate-glucose (UDPG) as a sugar donor, but it failed to compensate for sulfoquinovosyldiacylglycerol (SQDG) synthesis in the Arabidopsis sqd2 mutant. Furthermore, apigenin 7-O-glucoside inhibited starch synthase (SS) activity in a concentration-dependent manner, and SQD2.2-OE plants exhibited reduced SS activity accompanied by a significant reduction in starch levels and an elevation in soluble sugar levels relative to WT plants. Both adenosine diphosphate-glucose (ADPG) and UDPG levels in SQD2.2-OE plants were notably lower than those in WT plants. Taken together, rice SQD2.2 exhibits a novel role in flavonoid synthesis and plays an important role in mediating sugar allocation between primary and secondary metabolism in rice.
Investigation of Thermally Induced Degradation in CH3NH3PbI3 Perovskite Solar Cells using In-situ Synchrotron Radiation Analysis
Authors: Kim Nam-Koo , Min Young Hwan , Noh Seokhwan , Cho Eunkyung , Jeong Gitaeg , Joo Minho , Ahn Seh-Won , Lee Jeong Soo , Kim Seongtak , Ihm Kyuwook , Ahn Hyungju , Kang Yoonmook , Lee Hae-Seok , Kim Donghwan
Published: June 2017

In this study, we employ a combination of various in-situ surface analysis techniques to investigate the thermally induced degradation processes in MAPbI3 perovskite solar cells (PeSCs) as a function of temperature under air-free conditions (no moisture and oxygen). Through a comprehensive approach that combines in-situ grazing-incidence wide-angle X-ray diffraction (GIWAXD) and high-resolution X-ray photoelectron spectroscopy (HR-XPS) measurements, we confirm that the surface structure of MAPbI3 perovskite film changes to an intermediate phase and decomposes to CH3I, NH3, and PbI2 after both a short (20 min) exposure to heat stress at 100 °C and a long exposure (>1 hour) at 80 °C. Moreover, we observe clearly the changes in the orientation of CH3NH3+ organic cations with respect to the substrate in the intermediate phase, which might be linked directly to the thermal degradation processes in MAPbI3 perovskites. These results provide important progress towards improved understanding of the thermal degradation mechanisms in perovskite materials and will facilitate improvements in the design and fabrication of perovskite solar cells with better thermal stability.
BioPARR: A software system for estimating the rupture potential index for abdominal aortic aneurysms
Authors: Joldes Grand Roman , Miller Karol , Wittek Adam , Forsythe Rachael O. , Newby David E. , Doyle Barry J.
Published: June 2017

An abdominal aortic aneurysm (AAA) is a permanent and irreversible dilation of the lower region of the aorta. It is a symptomless condition that, if left untreated, can expand until rupture. Despite ongoing efforts, an efficient tool for accurate estimation of AAA rupture risk is still not available. Furthermore, a lack of standardisation across current approaches and specific obstacles within computational workflows limit the translation of existing methods to the clinic. This paper presents BioPARR (Biomechanics based Prediction of Aneurysm Rupture Risk), a software system to facilitate the analysis of AAA using a finite element analysis based approach. Except semi-automatic segmentation of the AAA and intraluminal thrombus (ILT) from medical images, the entire analysis is performed automatically. The system is modular and easily expandable, allows the extraction of information from images of different modalities (e.g. CT and MRI) and the simulation of different modelling scenarios (e.g. with/without thrombus). The software uses contemporary methods that eliminate the need for patient-specific material properties, overcoming perhaps the key limitation to all previous patient-specific analysis methods. The software system is robust, free, and will allow researchers to perform comparative evaluation of AAA using a standardised approach. We report preliminary data from 48 cases.
Role of biochar in biodegradation of nonylphenol in sediment: Increasing microbial activity versus decreasing bioavailability
Authors: Cheng Guanghuan , Sun Mingyang , Lu Jingrang , Ge Xinlei , Zhang Huihui , Xu Xinhua , Lou Liping , Lin Qi
Published: June 2017

The observed strong sorption of hydrophobic organic contaminants (HOCs) to biochar presents potential implications for HOCs bioavailability and bioaccessibility in sediments, while biochar could impact sediment microbial ecology. However, the comprehensive study on the effects of biochar on HOC biodegradation coupled with bioavailability and microbial ecology are rarely documented. In this paper, the effects of biochar on the biodegradation of nonylphenol (NP) were investigated using 3 different NP concentrations (20, 50 and 500 mg/Kg) in sediments amended with different percentage of rice straw biochar (RC). Results showed that the influence of RC on NP biodegradation varied with different NP concentrations. At low NP concentrations, RC suppressed NP biodegradation by reducing NP bioavailability, while at high NP concentrations, moderate RC addition promoted biodegradation by reducing toxicity of NP to microbes. The effects of NP on microbial community structures were significant (P < 0.01), but those of RC were not significant (P > 0.05). The RC affected microorganisms through altering NP toxicity, microbial quantity and activity, but not microbial community structures. This study indicated that there could be an optimal biochar percentage in biochar-sediment systems at different HOC concentrations, which strengthened HOC biodegradation process and accelerated biodegradation rate, forming adsorption-biodegradation coupled bioremediation.
The importance of N-glycosylation on β3 integrin ligand binding and conformational regulation
Authors: Cai Xiulei , Thinn Aye Myat Myat , Wang Zhengli , Shan Hu , Zhu Jieqing
Published: June 2017

N-glycosylations can regulate the adhesive function of integrins. Great variations in both the number and distribution of N-glycosylation sites are found in the 18 α and 8 β integrin subunits. Crystal structures of αIIbβ3 and αVβ3 have resolved the precise structural location of each N-glycan site, but the structural consequences of individual N-glycan site on integrin activation remain unclear. By site-directed mutagenesis and structure-guided analyses, we dissected the function of individual N-glycan sites in β3 integrin activation. We found that the N-glycan site, β3-N320 at the headpiece and leg domain interface positively regulates αIIbβ3 but not αVβ3 activation. The β3-N559 N-glycan at the β3-I-EGF3 and αIIb-calf-1 domain interface, and the β3-N654 N-glycan at the β3-β-tail and αIIb-calf-2 domain interface positively regulate the activation of both αIIbβ3 and αVβ3 integrins. In contrast, removal of the β3-N371 N-glycan near the β3 hybrid and I-EGF3 interface, or the β3-N452 N-glycan at the I-EGF1 domain rendered β3 integrin more active than the wild type. We identified one unique N-glycan at the βI domain of β1 subunit that negatively regulates α5β1 activation. Our study suggests that the bulky N-glycans influence the large-scale conformational rearrangement by potentially stabilizing or destabilizing the domain interfaces of integrin.
High Pressure Spectroscopic Investigation on Proton Transfer in Squaric Acid and 4,4′-Bipyridine Co-crystal
Authors: Ma Zhiwei , Li Juntao , Liu Chunyu , Sun Chenglin , Zhou Mi
Published: June 2017

In attempt to the obtain detailed geometric information of proton transfer compound (subsequently denote as SQBP) formed between squaric acid (SQ)and 4,4′-bipyridine(BP), and to investigate the mechanisms of pressure-induced double proton transfer and related structural phase transition, we carried out in-situ high pressure Raman spectroscopy of SQBP up to 20 GPa. A solid-solid phase transition together with double proton transfer phenomenon was confirmed by Raman spectroscopy at about 1.5 GPa, and the activation of C = O stretching mode in Raman spectra indicates a square-ring structure of SQ with four symmetric C = O bond formation. These results are further supported by first-principals calculations and in-situ high pressure infrared absorption spectroscopy. Additionally, Raman intensity analysis suggests that a higher-order phase transition with planar BP molecular structure occurred in the pressure range of 3~6 GPa. As a result, the π electron delocalization effect in BP dominated the intensity enhancement of C = O stretching mode in SQ. To the best of our knowledge, this is the first time observation of the intensity enhancement of proton donor’s normal modes induced by proton acceptor’s π electron delocalization.
Fabrication of Single Crystal Gallium Phosphide Thin Films on Glass
Authors: Emmer Hal , Chen Christopher T. , Saive Rebecca , Friedrich Dennis , Horie Yu , Arbabi Amir , Faraon Andrei , Atwater Harry A.
Published: June 2017

Due to its high refractive index and low absorption coefficient, gallium phosphide is an ideal material for photonic structures targeted at the visible wavelengths. However, these properties are only realized with high quality epitaxial growth, which limits substrate choice and thus possible photonic applications. In this work, we report the fabrication of single crystal gallium phosphide thin films on transparent glass substrates via transfer bonding. GaP thin films on Si (001) and (112) grown by MOCVD are bonded to glass, and then the growth substrate is removed with a XeF2 vapor etch. The resulting GaP films have surface roughnesses below 1 nm RMS and exhibit room temperature band edge photoluminescence. Magnesium doping yielded p-type films with a carrier density of 1.6 × 1017 cm−3 that exhibited mobilities as high as 16 cm2V−1s−1. Due to their unique optical properties, these films hold much promise for use in advanced optical devices.
Disruption of key NADH-binding pocket residues of the Mycobacterium tuberculosis InhA affects DD-CoA binding ability
Authors: Shaw Daniel J. , Robb Kirsty , Vetter Beatrice V. , Tong Madeline , Molle Virginie , Hunt Neil T. , Hoskisson Paul A.
Published: June 2017

Tuberculosis (TB) is a global health problem that affects over 10 million people. There is an urgent need to develop novel antimicrobial therapies to combat TB. To achieve this, a thorough understanding of key validated drug targets is required. The enoyl reductase InhA, responsible for synthesis of essential mycolic acids in the mycobacterial cell wall, is the target for the frontline anti-TB drug isoniazid. To better understand the activity of this protein a series of mutants, targeted to the NADH co-factor binding pocket were created. Residues P193 and W222 comprise a series of hydrophobic residues surrounding the cofactor binding site and mutation of both residues negatively affect InhA function. Construction of an M155A mutant of InhA results in increased affinity for NADH and DD-CoA turnover but with a reduction in Vmax for DD-CoA, impairing overall activity. This suggests that NADH-binding geometry of InhA likely permits long-range interactions between residues in the NADH-binding pocket to facilitate substrate turnover in the DD-CoA binding region of the protein. Understanding the precise details of substrate binding and turnover in InhA and how this may affect protein-protein interactions may facilitate the development of improved inhibitors enabling the development of novel anti-TB drugs.
Prevalence and Penetrance of BRCA1 and BRCA2 Germline Mutations in Colombian Breast Cancer Patients
Authors: Torres D. , Bermejo J. Lorenzo , Rashid M. U. , Briceño I. , Gil F. , Beltran A. , Ariza V. , Hamann U.
Published: June 2017

Pathogenic BRCA1/2 germline mutations confer high risks of breast and ovarian cancer to women of European ancestry. Characterization of BRCA1/2 mutations in other ethnic groups is also medically important. We comprehensively screened 68 Colombian breast/ovarian cancer families for small-range mutations, 221 families for large-genomic rearrangements, and 1,022 unselected breast cancer cases for Colombian founder mutations in BRCA1/2. The risk of cancer among relatives of mutation carriers and the mutation penetrance were estimated by survival analysis. Identified BRCA2 mutations included 6310delGA and the recurrent 1991del4 mutations. A novel large BRCA2 deletion was found in 0.9% of the screened families. Among unselected breast cancer cases, 3.3% tested positive for BRCA1/3450del4, 2.2% for BRCA1/A1708E, 1.1% for BRCA2/3034del4, and 0.4% for BRCA2/1991del4. Female relatives of carriers of BRCA1/2 founder mutations showed a 5.90 times higher risk of breast cancer, when the woman herself carried a BRCA1 mutation compared to a non-carrier (95% CI 2.01–17.3). The estimated cumulative risk of breast cancer by age 70 years for BRCA1 mutations carriers was 14% (95% CI 5–38) compared to 3% for the general Colombian population (relative risk of breast cancer 4.05). Together with known founder mutations, reported novel variants may ease a cost-effective BRCA1/2 screening in women with Colombian ancestry.
Paper spray ionization mass spectrometry applied to forensic chemistry – drugs of abuse, inks and questioned documents
Authors: Domingos Eloilson , de Carvalho Thays C. , Pereira Igor , Vasconcelos Géssica A. , Thompson Christopher J. , Augusti Rodinei , Rodrigues Rayza R. T. , Tose Lilian V. , Santos Heloa , Araujo Joyce R. , Vaz Boniek G. , Romão Wanderson
Published: June 2017

Paper spray ionization mass spectrometry (PS-MS) technique is a versatile and powerful tool to solve numerous problems in forensic chemistry.
A paper-based colorimetric spot test for the identification of adulterated whiskeys
Authors: Cardoso Thiago M. G. , Channon Robert B. , Adkins Jaclyn A. , Talhavini Márcio , Coltro Wendell K. T. , Henry Charles S.
Published: June 2017

Seized adulterated whiskey samples were identifiedviaa cheap, simple, colorimetric paper-analytic device.
Cyanotetrazolylborohydride (CTB) anion-based ionic liquids with low viscosity and high energy capacity as ultrafast-igniting hypergolic fuels
Authors: Li Xingye , Huo Hongyu , Li Haibo , Nie Fude , Yin Hongquan , Chen Fu-Xue
Published: June 2017

Hypergolic CTB-based ionic liquids exhibited remarkable low viscosity, high density, and ultra-short IDs (as short as 1.4 ms).
In situ generation of N-Boc-protected alkenyl imines: controlling the E/Z geometry of alkenyl moieties in the Mukaiyama–Mannich reaction
Authors: Bai Jian-Fei , Sasagawa Hajime , Yurino Taiga , Kano Taichi , Maruoka Keiji
Published: June 2017

Readily available Boc-protected Z-alkenyl aminals were used as Z-alkenyl and E-alkenyl imine precursors under acidic conditions. In the Mukaiyama–Mannich reaction of Z-alkenyl Boc-aminals, the E/Z geometry of the products was controlled by the catalyst used.
Probing the balance between ductility and strength: transition metal silicides
Authors: Pan Y. , Guan W. M.
Published: June 2017

The adjustment of the balance between strength and ductility is still a great challenge for ultrahigh temperature materials.
Gas phase hydration of halogenated benzene cations. Is it hydrogen or halogen bonding?
Authors: Mason Kyle A. , Pearcy Adam C. , Attah Isaac K. , Platt Sean P. , Aziz Saadullah G. , El-Shall M. Samy
Published: June 2017

The size of the σ-hole increases significantly in bromobenzene and iodobenzene radical cations leading to ionic halogen bonds with water.
Effect of hydraulic retention time and substrate availability in denitrifying bioelectrochemical systems
Authors: Pous Narcis , Puig Sebastià , Balaguer M. Dolors , Colprim Jesús
Published: June 2017

This paper evaluates the influence of HRT and nitrate content on denitrifying BES.
Characterisation of anticancer peptides at the single-cell level
Authors: Armbrecht L. , Gabernet G. , Kurth F. , Hiss J. A. , Schneider G. , Dittrich P. S.
Published: June 2017

Cell response heterogeneity impedes success in chemotherapy outcome as well as hampers the development of efficacious anticancer therapeutics. We present a microfluidic screening platform capable of high-throughput monitoring of heterogeneous cell responses to anticancer peptides thereby enabling efficient screening for potential future drug candidates.
New paradigms for the synthesis of graphene quantum dots from sustainable bioresources
Authors: Mahesh Sankarapillai , Lekshmi C. Lalitha , Renuka Kizhisseri Devi
Published: June 2017

Emerging Graphene Quantum Dots (GQDs)—a new member of the carbon family—have attracted a tremendous research interest in the scientific community due to their small size and tunable photoluminescence properties.
A redox-mediated 3D graphene based nanoscoop design for ultracapacitor applications
Authors: Rani Pallavi , Jhajharia Suman Kumari , Selvaraj Kaliaperumal
Published: June 2017

The judicious design of 3D graphene with a unique nanostructure blended with an active redox species demonstrates the ability to boost capacitance as high as 8-fold. This design not only exhibits high specific capacitance but also sustains it with a good cycle stability of even beyond 5000 cycles.
Inhibitors or toxins? Large library target-specific screening of fullerene-based nanoparticles for drug design purpose
Authors: Ahmed Lucky , Rasulev Bakhtiyor , Kar Supratik , Krupa Paweł , Mozolewska Magdalena A. , Leszczynski Jerzy
Published: June 2017

Fullerene-based nanoparticles have been the subject of vital interest due to their unique properties and potential application in many areas, including medicine.
Evaluation of spectral photon counting computed tomography K-edge imaging for determination of gold nanoparticle biodistribution in vivo
Authors: Si-Mohamed Salim , Cormode David P. , Bar-Ness Daniel , Sigovan Monica , Naha Pratap C. , Langlois Jean-Baptiste , Chalabreysse Lara , Coulon Philippe , Blevis Ira , Roessl Ewald , Erhard Klaus , Boussel Loic , Douek Philippe
Published: June 2017

A new spectral photon-counting CT prototype has the potential for non-invasive quantitative determination of gold nanoparticle biodistribution in vivo over time.
Interface interactions and enhanced room temperature ferromagnetism of Ag@CeO2 nanostructures
Authors: Chen Shih-Yun , Tseng Eric , Lai Yi-Ta , Lee William , Gloter Alexandre
Published: June 2017

Enhancement of room temperature ferromagnetism (RTFM) has been achieved with core–shell metal–oxide nanoparticles (Ag@CeO2).
Polarisation-controlled single photon emission at high temperatures from InGaN quantum dots
Authors: Wang T. , Puchtler T. J. , Zhu T. , Jarman J. C. , Nuttall L. P. , Oliver R. A. , Taylor R. A.
Published: June 2017

We achieved fast single photon emission with polarisation control beyond the 200 K Peltier cooling barrier in solid-state quantum dots.
Collagen mimetic peptide discs promote assembly of a broad range of natural protein fibers through hydrophobic interactions
Authors: McGuinness Kenneth , Nanda Vikas
Published: June 2017

Collagen mimetic peptides bind to a variety of fiber-forming proteins through complementary hydrophobic interactions, resulting in discs-on-a-string nanostructures and bundling of fibers.
Pyrene-tagged carbohydrate-based mixed P/S ligand: spacer effect on the Rh(i)-catalyzed hydrogenation of methyl α-acetamidocinnamate
Authors: Moya Juan Francisco , Rosales Christian , Fernández Inmaculada , Khiar Noureddine
Published: June 2017

The chain length between the pyrene group and the rhodium atom in mixed P/S catalysts is crucial in the enantioselective hydrogenation of enamides, and the most active catalyst can be used in catch and release process.
Expression of concern: A general and concise asymmetric synthesis of sphingosine, safingol and phytosphingosines via tethered aminohydroxylation
Authors: Kelly Richard
Published: June 2017

Expression of concern for ‘A general and concise asymmetric synthesis of sphingosine, safingol and phytosphingosines via tethered aminohydroxylation’ by Pradeep Kumar et al., Org. Biomol. Chem., 2010, 8, 5074–5086.
Expression of concern: Enantio- and diastereocontrolled conversion of chiral epoxides to trans-cyclopropane carboxylates: application to the synthesis of cascarillic acid, grenadamide and l-(−)-CCG-II
Authors: Kelly Richard
Published: June 2017

Expression of concern for ‘Enantio- and diastereocontrolled conversion of chiral epoxides to trans-cyclopropane carboxylates: application to the synthesis of cascarillic acid, grenadamide and l-(−)-CCG-II’ by Pradeep Kumar et al., Org. Biomol. Chem., 2012, 10, 6987–6994.
Chromium-catalyzed migratory arylmagnesiation of unactivated alkynes
Authors: Yan Jianming , Yoshikai Naohiko
Published: June 2017

The first example of 1,4-chromium migration was observed in the addition of an aryl Grignard reagent to an unactivated alkyne.
Spatial charge manipulated set-selective apatite deposition on micropatterned piezoceramic
Authors: Zhai Jinxia , Wang Qiyou , Zeng Jinquan , Chen Junqi , Yi Xin , Shi Zhifeng , Tan Guoxin , Yu Peng , Ning Chengyun
Published: June 2017

Apatite was selectively deposited with the manipulation of spatial charge on the micropatterned piezoelectric K0.5Na0.5NbO3.
Investigating extracellular electron transfer of Rikenella microfusus: a recurring bacterium in mixed-species biofilms
Authors: Grattieri M. , Hasan K. , Milton R. D. , Abdellaoui S. , Suvira M. , Alkotaini B. , Minteer S. D.
Published: June 2017

First report of the bioelectrocatalytic properties ofR. microfususcolonizing carbon cloth electrodes for glucose oxidation.
Transcription dynamics stabilizes nucleus-like layer structure in chromatin brush
Authors: Yamamoto Tetsuya , Schiessel Helmut
Published: June 2017

A brush of DNA in a solution of transcriptional machinery and histone proteins stabilizes a nucleus-like layer structure, where collapsed chains lie at the grafting surface and swollen chains cover the space above the collapsed chains, due to the osmotic pressure of swollen chains.
Graphene and graphene-based composites as Li-ion battery electrode materials and their application in full cells
Authors: Cai Xiaoyi , Lai Linfei , Shen Zexiang , Lin Jianyi
Published: June 2017

This review focuses on graphene-based electrode materials and discusses their problems in full cells and efforts to solve them.
An injectable supramolecular self-healing bio-hydrogel with high stretchability, extensibility and ductility, and a high swelling ratio
Authors: Zhu Shukai , Wang Jianxin , Yan Haoran , Wang Yingying , Zhao Yuancong , Feng Bo , Duan Ke , Weng Jie
Published: June 2017

Reversible networks are a key factor for designing self-healing hydrogels with high stretching properties.
Gate tunable photovoltaic effect in a MoSe2 homojunction enabled with different thicknesses
Authors: Yang Yujue , Huo Nengjie , Li Jingbo
Published: June 2017

MoSe2 homojunctions with different thicknesses perform well and have a gate-tunable photovoltaic effect with a Voc of 0.24 V and PCE of 1.9%.
Identification method for power system low‐frequency oscillations based on improved VMD and Teager–Kaiser energy operator
Authors: Xiao Huaishuo , Wei Jianchun , Liu Hongshun , Li Qingquan , Shi Yalin , Zhang Tongqiao
Published: June 2017

An improved variational mode decomposition (VMD) method is introduced into the mode recognition of low‐frequency oscillation of power system in this study. First, fast Fourier transform is used to determine the number of VMD components, and the approximate fitting formula of the best balancing parameter α is obtained by a large number of tests. The original signal is decomposed into several modes via improved VMD (IMVD) method. Then, Teager–Kaiser energy operator is applied on the fitting of each component to get the amplitude, frequency, and damping factor of it. By the constructed test signals, the proposed method is compared with the methods of non‐parametric VMD, empirical mode decomposition, total least‐squares estimation of signal parameters via rotational invariance techniques, and Prony on the performance of mode parameter identification. Results show that the IVMD method effectively overcomes the shortcomings of those methods mentioned above in dealing with mode mixing, noise sequence, and non‐stationary signals. Finally, the feasibility of the proposed method in extracting the low‐frequency oscillation mode parameters of power system is verified by the simulation signals of the IEEE two‐area four‐generator power system and the New England 39‐bus system.
Design of an asymmetrical rotor for easy assembly and repair of field windings in synchronous machines
Authors: Yang Nan , Cao Wenping , Liu Zheng , Morrow John
Published: June 2017

This study introduces a new asymmetrical rotor design for easy assembly and repair of field windings in synchronous machines. A new rotor geometry is adopted in order to simplify the manufacture and maintenance process of installing the rotor windings. The asymmetrical rotor design is simulated by the two‐dimensional finite element analysis, and verified by experimental tests on a 27.5 kVA prototype machine. The proposed topology can drive down the maintenance and repair costs of the machine without impacting on the machine's electro‐magnetic performance. This design will have significant economic implications for machine design and repair industry, especially for mass production markets such as wind turbines and engine‐generators.
High‐performance full adder architecture in quantum‐dot cellular automata
Authors: Rashidi Hamid , Rezai Abdalhossein
Published: June 2017

Quantum‐dot cellular automata (QCA) is a new and promising computation paradigm, which can be a viable replacement for the complementary metal–oxide–semiconductor technology at nano‐scale level. This technology provides a possible solution for improving the computation in various computational applications. Two QCA full adder architectures are presented and evaluated: a new and efficient 1‐bit QCA full adder architecture and a 4‐bit QCA ripple carry adder (RCA) architecture. The proposed architectures are simulated using QCADesigner tool version 2.0.1. These architectures are implemented with the coplanar crossover approach. The simulation results show that the proposed 1‐bit QCA full adder and 4‐bit QCA RCA architectures utilise 33 and 175 QCA cells, respectively. Our simulation results show that the proposed architectures outperform most results so far in the literature.
Analytical model of multi-planetary resonant chains and constraints on migration scenarios
Authors: Delisle J.-B.
Published: June 2017

Resonant chains are groups of planets for which each pair is in resonance, with an orbital period ratio locked at a rational value (2/1, 3/2, etc.). Such chains naturally form as a result of convergent migration of the planets in the proto-planetary disk. In this article, I present an analytical model of resonant chains of any number of planets. Using this model, I show that a system captured in a resonant chain can librate around several possible equilibrium configurations. The probability of capture around each equilibrium depends on how the chain formed, and especially on the order in which the planets have been captured in the chain. Therefore, for an observed resonant chain, knowing around which equilibrium the chain is librating allows for constraints to be put on the formation and migration scenario of the system. I apply this reasoning to the four planets orbiting Kepler-223 in a 3:4:6:8 resonant chain. I show that the system is observed around one of the six equilibria predicted by the analytical model. Using N-body integrations, I show that the most favorable scenario to reproduce the observed configuration is to first capture the two intermediate planets, then the outermost, and finally the innermost.
A Photochemical Two-Step Formal [5+2] Cycloaddition: A Condensation–Ring-Expansion Approach to Substituted Azepanes
Authors: Thullen Scott , Rubush David , Rovis Tomislav
Published: June 2017

Seven-membered nitrogen-containing heterocycles are considerably underrepresented in the literature compared to their five- and six-membered analogues. Herein, we report a relatively understudied photochemical rearrangement of N-vinylpyrrolidinones to azepin-4-ones in good yields. This transformation allows for the conversion of readily available pyrrolidinones and aldehydes to densely functionalized azepane derivatives in a facile two-step procedure.
Peculiar Clinical Presentation of Coxsackievirus B4 Infection: Neonatal Restrictive Cardiomyopathy
Authors: Le Van Quyen Pauline , Desprez Philippe , Livolsi Angelo , Lindner Véronique , Fafi-Kremer Samira , Helms Pauline , Antal Maria
Published: June 2017

Introduction Restrictive cardiomyopathy in fetuses and neonates is extremely rare and has a poor outcome. Its etiology in neonates is elusive: metabolic diseases (e.g., Gaucher, Hurler syndrome), neuromuscular disorders (e.g., muscular dystrophies, myofibrillar myopathies), or rare presentation of genetic syndromes (e.g., Coffin–Lowry syndrome) account for a minority of the cases, the majority remaining idiopathic.

Case Study We report the case of a 17-day-old male infant presenting cardiogenic shock following a restrictive dysfunction of the left ventricle. Postmortem investigations revealed coxsackievirus B4 myocarditis with histological lesions limited to the left heart. However, polymerase chain reaction (PCR) for coxsackievirus B4 was positive in the left as well as in the right ventricular samples.

Conclusion In conclusion, coxsackievirus myocarditis is a cause of restrictive cardiomyopathy, and its diagnosis should involve PCR screening as a more sensitive technique.