bluuebunny/crossref_metadata_2025 huggingface dataset:
Dynamics of human gut microbiota and short-chain fatty acids in response to dietary interventions with three fermentable fibers
Authors: Schmidt Thomas Mitchell , Baxter Nielson T , Waldron Clive , Alexander Schmidt W. , Venkataraman Arvind , Kim Kwi
Published: December 2018

Production of short-chain fatty acids (SCFAs), especially butyrate, in the gut microbiome is required for optimal health but is frequently limited by the lack of fermentable fiber in the diet. We attempted to increase butyrate production by supplementing the diets of 174 healthy young adults for two weeks with resistant starch from potatoes (RPS), resistant starch from maize (RMS), inulin from chicory root, or an accessible corn starch control. RPS resulted in the greatest increase in total SCFAs, including butyrate. Although the majority of microbiomes responded to RPS with increases in the relative abundance of bifidobacteria, those that responded with an increase in Ruminococcus bromii or Clostridium chartatabidum were more likely to yield higher butyrate concentrations, especially when their microbiota were replete with populations of the butyrate-producing species Eubacterium rectale. RMS and inulin induced different changes in fecal communities, but they did not generate significant increases in fecal butyrate levels.
The presence and impact of reference bias on population genomic studies of prehistoric human populations
Authors: Günther Torsten , Nettelblad Carl
Published: December 2018

High quality reference genomes are an important resource in genomic research projects. A consequence is that DNA fragments carrying the reference allele will be more likely to map suc-cessfully, or receive higher quality scores. This reference bias can have effects on downstream population genomic analysis when heterozygous sites are falsely considered homozygous for the reference allele.

In palaeogenomic studies of human populations, mapping against the human reference genome is used to identify endogenous human sequences. Ancient DNA studies usually operate with low sequencing coverages and fragmentation of DNA molecules causes a large proportion of the sequenced fragments to be shorter than 50 bp – reducing the amount of accepted mismatches, and increasing the probability of multiple matching sites in the genome. These ancient DNA specific properties are potentially exacerbating the impact of reference bias on downstream analyses, especially since most studies of ancient human populations use pseudohaploid data, i.e. they randomly sample only one sequencing read per site.

We show that reference bias is pervasive in published ancient DNA sequence data of pre-historic humans with some differences between individual genomic regions. We illustrate that the strength of reference bias is negatively correlated with fragment length. Reference bias can cause differences in the results of downstream analyses such as population affinities, heterozygosity estimates and estimates of archaic ancestry. These spurious results highlight how important it is to be aware of these technical artifacts and that we need strategies to mitigate the effect. Therefore, we suggest some post-mapping filtering strategies to resolve reference bias which help to reduce its impact substantially.
Barley yield formation under abiotic stress depends on the interplay between flowering time genes and environmental cues
Authors: Wiegmann Mathias , Maurer Andreas , Pham Anh , March Timothy J. , Al-Abdallat Ayed , Thomas William T.B. , Bull Hazel J. , Shahid Mohammed , Eglinton Jason , Baum Michael , Flavell Andrew J. , Tester Mark , Pillen Klaus
Published: December 2018

Since the dawn of agriculture, crop yield has always been impaired through abiotic stresses. In a field trial across five locations worldwide, we tested three abiotic stresses, nitrogen deficiency, drought and salinity, using HEB-YIELD, a selected subset of the wild barley nested association mapping population HEB-25. We show that barley flowering time genesPpd-H1, Sdw1, Vrn-H1andVrn-H3exert pleiotropic effects on plant development and grain yield. Under field conditions, these effects are strongly influenced by environmental cues like day length and temperature. For example, in Al-Karak, Jordan, the day length-sensitive wild barley allele ofPpd-H1was associated with an increase of grain yield by up to 30% compared to the insensitive elite barley allele. The observed yield increase is accompanied by pleiotropic effects ofPpd-H1resulting in shorter life cycle, extended grain filling period and increased grain size. Our study indicates that the adequate timing of plant development is crucial to maximize yield formation under harsh environmental conditions. We provide evidence that wild barley germplasm, introgressed into elite barley cultivars, can be utilized to improve grain yield. The presented knowledge may be transferred to related crop species like wheat and rice securing the rising global food demand for cereals.
Rapid identification of an Arabidopsis NLR gene conferring susceptibility to Sclerotinia sclerotiorum using time-resolved automated phenotyping
Authors: Barbacci Adelin , Navaud Olivier , Mbengue Malick , Vincent Rémy , Barascud Marielle , Lacaze Aline , Raffaele Sylvain
Published: December 2018

The broad host range necrotrophic fungus Sclerotinia sclerotiorum is a devastating pathogen of many oil and vegetable crops. Plant genes conferring complete resistance against S. sclerotiorum have not been reported. Instead, plant populations challenged by S. sclerotiorum exhibit a continuum of partial resistance designated as quantitative disease resistance (QDR). Because of their complex interplay and their small phenotypic effect, the functional characterization of QDR genes remains limited. How broad host range necrotrophic fungi manipulate plant programmed cell death is for instance largely unknown. Here, we designed a time-resolved automated disease phenotyping pipeline and assessed the kinetics of disease symptoms caused by seven S. sclerotiorum isolates on six A. thaliana natural accessions with unprecedented resolution. We hypothesized that large effect polymorphisms common to the most resistant A. thaliana accessions, but absent from the most susceptible ones, would point towards disease susceptibility genes. This identified highly divergent alleles of the nucleotide-binding site leucine-rich repeat gene LAZ5 in the resistant accessions Rubenzhnoe and Lip-0. Two LAZ5-deficient mutant lines in the Col-0 genetic background showed enhanced QDR to S. sclerotiorum, whereas plants mutated in the closely related CSA1 gene responded like the wild type. These findings illustrate the value of time-resolved image-based phenotyping for unravelling the genetic bases of complex traits such as QDR. Our results suggest that S. sclerotiorum manipulates plant sphingolipid pathways guarded by LAZ5 to trigger programmed cell death and cause disease.
Cadherin switch marks germ layer formation in the diploblastic sea anemone Nematostella vectensis
Authors: Pukhlyakova Ekaterina , Kirillova Anastasia , Kraus Yulia , Technau Ulrich
Published: December 2018

Morphogenesis is a shape-building process during development of multicellular organisms. During this process the establishment and modulation of cell-cell contacts play an important role. Cadherins, the major cell adhesion molecules, form adherens junctions connecting epithelial cells. Numerous studies in Bilateria have shown that cadherins are associated with the regulation of cell differentiation, cell shape changes, cell migration and tissue morphogenesis. To date, the role of Cadherins in non-bilaterians is unknown. Here, we study the expression and the function of two paralogous classical cadherins, cadherin1 and cadherin3, in the diploblastic animal, the sea anemone Nematostella vectensis. We show that a cadherin switch is accompanying the formation of germ layers. Using specific antibodies, we show that both cadherins are localized to adherens junctions at apical and basal positions in ectoderm and endoderm. During gastrulation, partial EMT of endodermal cells is marked by a step-wise downregulation of cadherin3 and upregulation of cadherin1. Knockdown experiments show that both cadherins are required for maintenance of tissue integrity and tissue morphogenesis. This demonstrates that cnidarians convergently use cadherins to differentially control morphogenetic events during development.
Spo13 prevents premature cohesin cleavage during meiosis
Authors: Galander Stefan , Barton Rachael E , Kelly David A , Marston Adele L
Published: December 2018

Meiosis produces gametes through two successive nuclear divisions, meiosis I and meiosis II. In contrast to mitosis and meiosis II, where sister chromatids are segregated, during meiosis I, homologous chromosomes are segregated. This requires the monopolar attachment of sister kinetochores and the loss of cohesion from chromosome arms, but not centromeres, during meiosis I. The establishment of both sister kinetochore mono-orientation and cohesion protection rely on the budding yeast meiosis I-specific Spo13 protein, the functional homolog of fission yeast Moa1 and mouse MEIKIN. Here we investigate the effects of loss of SPO13 on cohesion during meiosis I. Unlike wild type, cells lacking SPO13 fail to maintain the meiosis-specific cohesin subunit, Rec8, at centromeres and segregate sister chromatids to opposite poles during anaphase I. We show that the cohesin-destabilizing factor, Wpl1, is not primarily responsible for the loss of cohesion during meiosis I. Instead, premature loss of centromeric cohesin during anaphase I in spo13Δ cells relies on separase-dependent cohesin cleavage. Further, cohesin loss in spo13Δ anaphase I cells is blocked by forcibly tethering the regulatory subunit of protein phosphatase 2A, Rts1, to Rec8. Our findings indicate that separase-dependent cleavage of phosphorylated Rec8 causes premature cohesin loss in spo13Δ cells.
Introduction and validation of a new semi-automated method to determine sympathetic fiber density in target tissues.
Authors: Bleck Dennis , Ma Li , Byambadoo Lkham-Erdene , Brinks Ralph , Schneider Matthias , Tian Li , Pongratz Georg
Published: December 2018

In recent years, the role of sympathetic nervous fibers in chronic inflammation has become increasingly evident. At the onset of inflammation, sympathetic activity is increased in the affected tissue. However, sympathetic fibers are largely absent from chronically inflamed tissue. Apparently, there is a very dynamic relationship between sympathetic innervation and the immune system in areas of inflammation, and hence a rapid and easy method for quantification of nerve fiber density of target organs is of great value to answer potential research questions. Currently, nervous fiber densities are either determined by tedious manual counting, which is not suitable for high throughput approaches, or by expensive automated processes relying on specialized software and high-end microscopy equipment. Usually, tyrosine hydroxylase (TH) is used as the marker for sympathetic fibers. In order to overcome the current quantification bottleneck with a cost-efficient alternative, an automated process was established and compared to the classic manual approach of counting TH-positive sympathetic fibers. Since TH is not exclusively expressed on sympathetic fibers, but also in a number of catecholamine-producing cells, a prerequisite for automated determination of fiber densities is to reliably distinct between cells and fibers. Therefore, an additional staining using peripherin exclusively expressed in nervous fibers as a secondary marker was established. Using this novel approach, we studied the spleens from a syndecan-3 knockout (SDC3KO) mouse line, and demonstrated equal results on SNS fiber density for both manual and automated counts (Manual counts: wt: 22.57 +/- 11.72 fibers per mm2; ko: 31.95 +/- 18.85 fibers per mm2; p = 0.0498; Automated counts: wt: 31.6 +/- 18.98 fibers per mm2; ko: 45.49 +/- 19.65 fibers per mm2; p = 0.01868). In conclusion, this new and simple method can be used as a high-throughput approach to reliably and quickly quantify SNS nerve fiber density in target tissues.
The Ca2+ sensor protein CMI1 fine tunes root development, auxin distribution and responses
Authors: Hazak Ora , Mamon Elad , Lavy Meirav , Sternberg Hasana , Behera Smrutisanjita , Schmitz-Thom Ina , Bloch Daria , Dementiev Olga , Gutman Itay , Danziger Tomer , Schwarz Netanel , Abuzeineh Anas , Mockaitis Keithanne , Estelle Mark , Hirsch Joel , Kudla Jörg , Yalovsky Shaul
Published: December 2018

Signaling cross-talks between auxin, a regulator of plant development and Ca2+, a universal second messenger have been proposed to modulate developmental plasticity in plants. However, the underlying molecular mechanisms are largely unknown. Here we report that in Arabidopsis roots, auxin elicits specific Ca2+ signaling pattern that spatially coincide with the expression pattern of auxin-regulated genes. We identified the EF-hand protein CMI1 (Ca2+ sensor Modulator of ICR1) as an interactor of the ROP effector ICR1 (Interactor of Constitutively active ROP). CMI1 is monomeric in solution, changes its secondary structure at Ca2+ concentrations ranging from 10-9 to 10-8 M and its interaction with ICR1 is Ca2+ dependent, involving a conserved hydrophobic pocket. cmi1 mutants display an increased auxin response including shorter primary roots, longer root hairs, longer hypocotyls and altered lateral root formation while ectopic expression of CMI1 induces root growth arrest and reduced auxin responses at the root tip. When expressed alone, CMI1 is localized at the plasma membrane, the cytoplasm and in nuclei. Interaction of CMI1 and ICR1 results in exclusion of CMI1 from nuclei and suppression of the root growth arrest. CMI1 expression is directly upregulated by auxin while expression of auxin induced genes is enhanced in cmi1 concomitantly with repression of auxin induced Ca2+ increases in the lateral root cap and vasculature, indicating that CMI1 represses early auxin responses. Collectively, our findings identify a crucial function of Ca2+ signaling and CMI1 in root growth and suggest an auxin-Ca2+ regulatory feedback loop that fine tunes root development.
Insights into impact of DNA copy number alteration and methylation on the proteogenomic landscape of human ovarian cancer via a multi-omics integrative analysis
Authors: Song Xiaoyu , Ji Jiayi , Gleason Kevin J. , Martignetti John A. , Chen Lin S. , Wang Pei
Published: December 2018

In this work, we propose iProFun, an integrative analysis tool to screen for Proteogenomic Functional traits perturbed by DNA copy number alterations (CNA) and DNA methylations. The goal is to characterize functional consequences of DNA copy number and methylation alterations in tumors and to facilitate screening for cancer drivers contributing to tumor initiation and progression. Specifically, we consider three functional molecular quantitative traits: mRNA expression levels, global protein abundances, and phosphoprotein abundances. We aim to identify those genes whose CNAs and/or DNA methylations have cis-associations with either some or all three types of molecular traits. In comparison with analyzing each molecular trait separately, the joint modeling of multi-omics data enjoys several benefits: iProFun experienced enhanced power for detecting significant cis-associations shared across different omics data types; and it also achieved better accuracy in inferring cis-associations unique to certain type(s) of molecular trait(s). For example, unique associations of CNA/methylations to global/phospho protein abundances may imply post-translational regulations. We applied iProFun to ovarian high-grade serous carcinoma tumor data from The Cancer Genome Atlas and Clinical Proteomic Tumor Analysis Consortium, and identified CNAs and methylations of 500 and 122 genes, respectively, affecting the cis-functional molecular quantitative traits of the corresponding genes. We observed substantial power gain via the joint analysis of iProFun. For example, iProFun identified 130 genes whose CNAs were associated with phosphoprotein abundances by leveraging mRNA expression levels and global protein abundances. By comparison, analyses based on phosphoprotein data alone identified none. A group of these 130 genes clustered in a small region on Chromosome 14q, harboring the known oncogene, AKT1. In addition, iProFun identified one gene, CANX, whose DNA methylation has a cis-association with its global protein abundances but not its mRNA expression levels. These and other genes identified by iProFun could serve as potential drug targets for ovarian cancer.
Relocating agriculture could drastically reduce humanity’s ecological footprint
Authors: Beyer Robert M. , Manica Andrea , Rademacher Tim T.
Published: December 2018

Agriculture is a major driver of global biodiversity loss 1,2, accounts for one quarter of greenhouse gas emissions 3, and is responsible for 70% of freshwater use 4,5. How can land be used for agriculture in a way that minimises the impact on the world’s natural resources while maintaining current production levels? Here, we solved this more than 10 million dimensional optimisation problem and find that moving current croplands and pastures to optimal locations, while allowing then-abandoned areas to regenerate, could simultaneously decrease the current carbon, biodiversity and water footprint of global agriculture by up to 71%, 91% and 100%, respectively. This would offset current net CO2 emissions for half a century, massively alleviate pressure on global biodiversity and greatly reduce freshwater shortages. Whilst these achievements would require global coordination of agricultural policies, reductions of up to 59%, 78% and close to 100% are achievable by relocating production within national borders, with the greatest potential for carbon footprint reduction held by the world’s top three CO2 emitting countries.
In-season internal and external training load quantification of an elite European soccer team
Authors: Oliveira Rafael Soares , Brito João Paulo , Martins Alexandre , Mendes Bruno , Calvete Francisco , Carriço Sandro , Marinho Daniel , Ferraz Ricardo , Marques Mário Cardoso
Published: December 2018

Elite soccer teams that participate in European competitions often have a difficult schedule, involving weeks in which they play up to three matches, which leads to acute and transient subjective, biochemical, metabolic and physical disturbances in players over the subsequent hours and days. Inadequate time recovery between matches can expose players to the risk of training and competing whilst not fully recovered. Controlling the level of effort and fatigue of players to reach higher performances during the matches is therefore critical. Therefore, the aim of the current study was to provide the first report of seasonal internal and external training load (TL) that included Hooper Index (HI) scores in elite soccer players during an in-season period. Sixteen elite soccer players were sampled, using global position system, session rating of perceived exertion (s-RPE) and HI scores during the daily training sessions throughout the 2015-2016 in-season period. Data were analysed across ten mesocycles (M: 1 to 10) and collected according to the number of days prior to a match. Total daily distance covered was higher at the start (M1 and M3) compared to the final mesocycle (M10) of the season. M1 (5589m) reached a greater distance than M5 (4473m) (ES = 9.33 [12.70, 5.95]) and M10 (4545m) (ES = 9.84 [13.39, 6.29]). M3 (5691m) reached a greater distance than M5 (ES = 9.07 [12.36, 5.78]), M7 (ES = 6.13 [8.48, 3.79]) and M10 (ES = 9.37 [12.76, 5.98]). High-speed running distance was greater in M1 (227m), than M5 (92m) (ES = 27.95 [37.68, 18.22]) and M10 (138m) (ES = 8.46 [11.55, 5.37]). Interestingly, the s-RPE response was higher in M1 (331au) in comparison to the last mesocycle (M10, 239au). HI showed minor variations across mesocycles and in days prior to the match. Every day prior to a match, all internal and external TL variables expressed significant lower values to other days prior to a match (p<0.01). In general, there were no differences between player positions.
Conclusions: Our results reveal that despite the existence of some significant differences between mesocycles, there were minor changes across the in-season period for the internal and external TL variables used. Furthermore, it was observed that MD-1 presented a reduction of external TL (regardless of mesocycle) while internal TL variables did not have the same record during in-season match-day-minus.
Molecular epidemiology and whole genome sequencing analysis of clinical Mycobacterium bovis from Ghana
Authors: Otchere Isaac Darko , van Tonder Andries J. , Asante-Poku Adwoa , Sánchez-Busó Leonor , Coscollá Mireia , Osei-Wusu Stephen , Asare Prince , Aboagye Samuel Yaw , Ekuban Samuel Acquah , Yahayah Abdallah Iddrisu , Forson Audry , Baddoo Akosua , Laryea Clement , Parkhill Julian , Harris Simon R , Gagneux Sebastien , Yeboah-Manu Dorothy
Published: December 2018

Background

Bovine tuberculosis (bTB) caused by Mycobacterium bovis is a re-emerging problem in both livestock and humans. The association of some M. bovis strains with hyper-virulence, MDR-TB and disseminated disease makes it imperative to understand the biology of the pathogen.

Methods

Mycobacterium bovis (15) among 1755 M. tuberculosis complex (MTBC) isolated between 2012 and 2014 were characterized and analyzed for associated patient demography and other risk factors. Five of the M. bovis were whole-genome sequenced and comparatively analyzed against a global collection of published M. bovis genomes.

Results

Mycobacterium bovis was isolated from 3/560(0.5%) females and 12/1195(1.0%) males with pulmonary TB. The average age of M. bovis infected cases was 46.8 years (7-72years). TB patients from the Northern region of Ghana (1.9%;4/212) had a higher rate of infection with M. bovis (OR=2.7,p=0.0968) compared to those from the Greater Accra region (0.7%;11/1543). Among TB patients with available HIV status, the odds of isolating M. bovis from HIV patients (2/119) was 3.3 higher relative to non-HIV patients (4/774). Direct contact with livestock or their unpasteurized products was significantly associated with bTB (p<0.0001,OR=124.4,95% CI=30.1-508.3). Two (13.3%) of the M. bovis isolates were INH resistant due to the S315T mutation in katG whereas one (6.7%) was RIF resistant with Q432P and I1491S mutations in rpoB. M. bovis from Ghana resolved as mono-phyletic branch among mostly M. bovis from Africa irrespective of the host and were closest to the root of the global M. bovis phylogeny. M. bovis-specific amino acid mutations were detected among MTBC core genes such as mce1A, mmpL1, pks6, phoT, pstB, glgP and Rv2955c. Additional mutations P6T in chaA, G187E in mgtC, T35A in Rv1979c, S387A in narK1, L400F in fas and A563T in eccA1 were restricted to the 5 clinical M. bovis from Ghana.

Conclusion

Our data indicate potential zoonotic transmission of bTB in Ghana and hence calls for intensified public education on bTB, especially among risk groups.
Sparse Bayesian learning for predicting phenotypes and ranking influential markers in yeast
Authors: Ayat Maryam , Domaratzki Michael
Published: December 2018

Genomic selection and genome-wide association studies are two related problems that can be applied to the plant breeding industry. Genomic selection is a method to predict phenotypes (i.e., traits) such as yield and drought resistance in crops from high-density markers positioned throughout the genome of the varieties. In this paper, we employ employ sparse Bayesian learning as a technique for genomic selection and ranking markers based on their relevance to a trait, which can aid in genome-wide association studies. We define and explore two different forms of the sparse Bayesian learning for predicting phenotypes and identifying the most influential markers of a trait, respectively. In particular, we introduce a new framework based on sparse Bayesian and ensemble learning for ranking influential markers of a trait. Then, we apply our methods on a real-world \textit{Saccharomyces cerevisiae} dataset, and analyse our results with respect to existing related works, trait heritability, as well as the accuracies obtained from the use of different kernel functions including linear, Gaussian, and string kernels.
We find that sparse Bayesian methods are not only as good as other machine learning methods in predicting yeast growth in different environments, but are also capable of identifying the most important markers, including both positive and negative effects on the growth, from which biologists can get insight. This attribute can make our proposed ensemble of sparse Bayesian learners favourable in ranking markers based on their relevance to a trait.
Aravaite, Ba2Ca18(SiO4)6(PO4)3(CO3)F3O: modular structure and disorder of a new mineral with single and triple antiperovskite layers
Authors: Krüger Biljana , Krüger Hannes , Galuskin Evgeny V. , Galuskina Irina O. , Vapnik Yevgeny , Olieric Vincent , Pauluhn Anuschka
Published: December 2018

The crystal structure of the new mineral aravaite Ba2Ca18(SiO4)6(PO4)3(CO3)F3O [R{\bar 3}m, a = 7.12550 (11), c = 66.2902 (13) Å, V = 2914.81 (8) Å3, Z = 3] was solved from single-crystal diffraction data, collected using synchrotron radiation at the X06DA beamline of the Swiss Light Source. The unit cell of this modular mineral contains six layers of {Ba(PO4)1.5(CO3)0.5}3.5− (T-layer), three triple antiperovskite layers (tAP) {(F2OCa12)(SiO4)4}4+, and three single antiperovskite layers (sAP) {(FCa6)(SiO4)2}3+. The structure refinement confirms a model with a layer sequence of T–sAP–T–tAP as an average structure of this mineral. However, one-dimensional diffuse scattering observed parallel to c* implies imperfections in the stacking sequence of the average structure. Qualitative modelling of disorder confirms that the alternating sequence of T–sAP and T–tAP blocks is disturbed. The blocks occurring in this new mineral are known from other so-called hexagonal intercalated antiperovskite structures: T–sAP (stracherite and zadovite group), T–tAP (ariegilatite and nabimusaite group).
Understanding geology through crystal engineering: coordination complexes, coordination polymers and metal–organic frameworks as minerals
Authors: Huskić Igor , Friščić Tomislav
Published: December 2018

Recent structural studies of organic minerals, coupled with the intense search for new carbon-containing mineral species, have revealed naturally occurring structures analogous to those of advanced materials, such as coordination polymers and even open metal–organic frameworks exhibiting nanometre-sized channels. While classifying such `non-conventional' minerals represents a challenge to usual mineral definitions, which focus largely on inorganic structures, this overview highlights the striking similarity of organic minerals to artificial organic and metal–organic materials, and shows how they can be classified using the principles of coordination chemistry and crystal engineering.
Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2′-hydroxyphenyl)imidazo[1,2-a]pyridines and 1,2-phenylenediboronic acid
Authors: Kutniewska Sylwia E. , Jarzembska Katarzyna N. , Kamiński Radosław , Stasyuk Anton J. , Gryko Daniel T. , Cyrański Michał K.
Published: December 2018

Three new blue-luminescent complexes of selected imidazo[1,2-a]pyridine derivatives and 1,2-phenylenediboronic acid have been synthesized and structurally characterized using single-crystal X-ray diffraction. Additionally, the crystal structures of two of the (N,O)-donor compounds have been evaluated for the first time. The crystal packing and molecular motifs observed in the studied crystals have been thoroughly analysed, including computational studies, and are also discussed within the context of analogous systems reported in the literature. It appears that the new compounds form different crystal networks with regard to the asymmetric unit content and packing, although some similarities can be found. In all cases a typical centrosymmetric dimer bound via boronic acid groups is formed, characterized by an interaction energy of about −80 kJ mol−1, while the 2-(2′-hydroxyphenyl)imidazo[1,2-a]pyridine complex and its methoxy derivative form solvate structures, somewhat resembling the previously studied 8-oxyquinolinate analogues. As far as the spectroscopic properties are concerned, the lowest energy excitation observed in the studied complexes is based on the highest occupied molecular orbital–lowest unoccupied molecular orbital transition, and both these molecular orbitals are centred predominantly on the (N,O)-donor species according to the results of time-dependent density functional theory. Thus, the charge transfer observed for the 8-oxyquinolinate equivalents does not occur in these cases. Consequently, the spectroscopic behaviour of the series is very much comparable with that of the parent imidazo[1,2-a]pyridine derivatives, if the excited-state intramolecular proton-transfer process does not take place, as shown by the absorption and emission spectra collected in toluene and acetone solutions. Complexation causes a reduction in the Stokes shift compared with the respective (N,O)-donor molecules.
Copper–lead selenite bromides: a new large family of compounds partly having Cu2+ substructures derivable from kagome nets
Authors: Siidra Oleg I. , Kozin Michael S. , Depmeier Wulf , Kayukov Roman A. , Kovrugin Vadim M.
Published: December 2018

Extensive experiments in the Pb–Cu–Se–O–Br system at 400°C yielded single crystals of nine new compounds (Cu2+Pb6(SeO3)4Br6, Cu2+Pb2(SeO3)2Br2, Cu2+
3Pb2.4(SeO3)5Br0.8, Cu2+
2Pb(SeO3)2Br2, Cu2+
4Pb(SeO3)4Br2, [Cu2+
9Pb2O4](Cu+Br2)(SeO3)4Br5, [Cu2+
7PbO3](Cu+Br)0.35(SeO3)3Br4, [Cu2+
8Pb2O4](Cu+Br)1.5(SeO3)4Br4, [Cu2+
6Pb3O4](Cu+Pb1.27Br3.54)(SeO3)4Br2), all but one exhibiting new complex layered or open-framework architectures, organized via the host–guest principle. Five of these structures contain only bivalent copper: three with well ordered 2D structures and completely filled atomic positions, two structures have 3D frameworks. The four remaining compounds contain both, Cu2+ and Cu+, and comprise layers formed by edge- and vertex-sharing of oxocentered OCu2+
4–n
Pb
n
tetrahedra decorated with SeO3
2− and Br− anions. The interlayer spaces are filled by partially disordered Cu+–Br and Pb–Br associations. One remarkable feature of the latter group of compounds is the presence of tetrahedral (Cu2+)4 complexes with arrangements derivable from a kagome network.
Ultrafast calculation of diffuse scattering from atomistic models
Authors: Paddison Joseph A. M.
Published: December 2018

Diffuse scattering is a rich source of information about disorder in crystalline materials, which can be modelled using atomistic techniques such as Monte Carlo and molecular dynamics simulations. Modern X-ray and neutron scattering instruments can rapidly measure large volumes of diffuse-scattering data. Unfortunately, current algorithms for atomistic diffuse-scattering calculations are too slow to model large data sets completely, because the fast Fourier transform (FFT) algorithm has long been considered unsuitable for such calculations [Butler & Welberry (1992).J. Appl. Cryst.25, 391–399]. Here, a new approach is presented for ultrafast calculation of atomistic diffuse-scattering patterns. It is shown that the FFT can actually be used to perform such calculations rapidly, and that a fast method based on sampling theory can be used to reduce high-frequency noise in the calculations. These algorithms are benchmarked using realistic examples of compositional, magnetic and displacive disorder. They accelerate the calculations by a factor of at least 102, making refinement of atomistic models to large diffuse-scattering volumes practical.
Development level of electronic government services
Authors: Butt Nadia , Warraich Nosheen Fatima , Tahira Muzammil
Published: December 2018

Purpose

This paper aims to explore the emerging trends of e-government in Pakistan with an empirical investigation of the e-government websites and the services they provide to the citizens of Pakistan. It also investigates the level of development of these e-government websites in the Punjab Web portal. The governments in Asian countries, including Pakistan, have been struggling to switch their services from traditional on-spot services to online services. Focal points of the study are development level of e-government websites, available e-services and quality.

Design/methodology/approach

The e-government Web portal of Punjab province with 38 websites is center of attention in present study. Website’s content analysis method is used to study e-government websites (N= 38) from the Punjab Web portal. It used the “Four-Stage Development Model” for the four stages, namely, “publishing”, “interacting”, “transacting” and “transforming”, to study the phenomena.

Findings

The findings showed that most of the websites on the Web portal were at the first (publishing) and second (interacting) stage of development. For the provision of effective online services, websites need to be on the third (transacting) and fourth (transforming) stage. Only a few websites in the Punjab Web portal were the on transacting and transforming stages providing a mature level of services. In total, 40 different types of services are identified in 38 websites of Punjab e-government Web portal.

Practical implications

E-government, Web portals are developed to give citizens a single, easy access point to several departments’ websites and their services. This baseline study recommends to update e-government websites periodically and put more focus on technological and contextual features to enhance the accessibility and usability of the websites.

Originality/value

This is first empirical study of e-government websites to explore their services and examine existing level of website development in this region.
Designing workplace induction programs to support the transition of new-career engineers to practice
Authors: Hawse Sally , Wood Leigh Norma
Published: December 2018

Purpose

The purpose of this paper is to focus on transition of engineering graduates to work. It asks: “What approaches and enabling activities can organisational induction programs use to support successful transition to practice for new-career engineers?”

Design/methodology/approach

The paper is grounded in literature review; it discusses central themes in the literature relating to transition to the workplace for Science Technology Engineering Mathematics (STEM) graduates. These include: skills required for the workplace; challenging factors in the transition to workplace; and, disciplinary socialisation.

Findings

There is a lack of literature that explores the design of workplace induction programs to assist novice engineers transition to professional work. An emerging topic in the literature is educational institution and employing organisation co-production of induction and transition to work programs.

Originality/value

Much of the literature relating to transition to work programs is from higher education rather than from the viewpoint of the workplace. This review contributes to knowledge of transition to work for early-career engineers from the perspective of workplace development programs.
Tribological behavior of WS2/oil-impregnated porous polyimide solid/liquid composite system
Authors: Yan Zhen , Jiang Dong , Gao Xiaoming , Zhang Can , Hu Ming , Feng Dapeng , Sun Jiayi , Weng Lijun , Wang Chao
Published: December 2018

Purpose

This paper aims to study the tribological behavior of the WS2/oil-impregnated porous polyimide (PPI) solid/liquid composite system, in which both PFPE (perfluoropolyether) and SiCH (silahydrocarbons) oils with different hydrocarbon chains were used, respectively. Lubricating mechanism of the composite system was also explored.

Design/methodology/approach

The tribological behaviors of the WS2 films against the PPI cylindrical pins before and after immersing oil were evaluated under different loads by a reciprocating-type ball-on-disc tribometer.

Findings

The composite system exhibited the low and stable friction coefficient after the running-in stage, and the lubricant oil played a positive effect. It was found that the WS2/PFPE composite system exhibited more excellent lubricating property, although sole SiCH far exceeds PFPE in lubrication. The abnormal phenomenon mainly resulted from the influence of the oil amount. XRD results on the wear track surfaces indicated that PFPE and SiCH oils with different hydrocarbon chains were likely to preferentially adsorb to the edge plane and basal plane of the WS2 crystals, respectively.

Originality/value

In previous studies, liquid lubricants were directly dripped or spin-coated on the solid lubricant surface. Based on its potential advantage in application, the tribological behavior and mechanism of the solid lubricating film/oil-impregnated PPI composite system were investigated in this study.
Buyer relationships when developing new products: a contingency model
Authors: Athaide Gerard A. , Zhang Jason Q. , Klink Richard R.
Published: December 2018

Purpose

The purpose of the paper is to develop and test a contingency model of buyer involvement when developing new products in technology-based industrial markets. Information Dissemination and degree of product co-development are identified as two behavioral dimensions of seller–buyer relationships. Further, the paper proposes that perceived buyer knowledge, innovation discontinuity, product customization and technological uncertainty moderate the impact of the behavioral dimensions on sellers’ relationship satisfaction.

Design/methodology/approach

The paper uses moderated regression on a data set of 296 small and mid-sized firms in a variety of high-tech industries to test relevant hypotheses.

Findings

The authors find that sellers can enhance relationship satisfaction by engaging in either unilateral or bilateral relationships. This is important because sellers have to be judicious in expending their relationship resources. While information dissemination is more satisfying when targeting less knowledgeable buyers, product co-development enhances satisfaction when targeting more knowledgeable buyers. Similarly, information dissemination can enhance satisfaction for discontinuous innovations; in contrast, product co-development has a similar outcome for customized products. However, when technological uncertainty is high, such co-development leads to reduced satisfaction.

Originality/value

Extant literature provides useful insights on the behavioral dimensions of seller–buyer relationships, the antecedents and consequences of such relationships and the stages of the new product development process when such relationships are more valuable. Despite this progress, important gaps remain in current understanding of seller–buyer relationships. In particular, findings regarding the contribution of relationships to desired outcomes are inconsistent. This suggests that important moderators of the relationship–outcomes link are being overlooked and warrant greater attention. This paper addresses this deficiency.
Attitude for inclusive finance: influence of owner-managers’ and firms’ characteristics on SMEs financial decision making
Authors: Rasheed Rabia , Siddiqui Sulaman Hafeez
Published: December 2018

Purpose

The adoption and use of financial services by small- and medium-sized enterprises (SMEs) are pivotal in the development of inclusive financial markets. The purpose of this paper is to examine the influence of attitude on financial decision making of SMEs owner-manager. The attitude of SMEs owner-manager comprises of several factors; however, current study identifies few critical factors such as motivation, awareness and risk in the context of Pakistan. The study also includes the personal and firm characteristics as moderating variables to examine their effect on the relationship between attitude and financial decision making of owner-managers.

Design/methodology/approach

With the help of a structured questionnaire, total 285 valid responses are analyzed to accomplish the research objectives. The study uses SPSS and partial least square-structural equation modeling techniques in order to conduct analysis. The results of study highlight the importance of attitudinal factors such as awareness and risk. Moreover, the moderating effect of personal characteristics on the relationship between attitude and financial decision making has been found strong instead of firm characteristics.

Findings

The results show that the low awareness level of owner-managers regarding financial products and procedures significantly affects their attitude. Moreover, the less knowledge of financing terms as well as dominant role of owner-managers in taking firm decisions also increase the negative effect of risk factor on SMEs owner-manager attitude.

Research limitations/implications

The study suggested that policy makers should focus on the financial awareness of SMEs owner-manager to reduce the negativity of risk factor.

Originality/value

The study contributes toward the literature of inclusive finance and sustainability studies through better understanding of financial decision making of SMEs in emerging economies.
Nuclear battery: a source of environmentally friendly energy
Authors: Ayodele Olukayode Lawrence , Sanusi Kazeem Oladele , Kahn Mohamed Tariq
Published: December 2018

Purpose

The nuclear battery technology depends on the spontaneous decay of the atomic nuclei of radioactive isotopes to generate electricity. One of the merits of a nuclear battery is its high-energy density, which can be around ten times higher than that of hydrogen fuel cells and a thousand times more than that of an electrochemical battery. A nuclear battery has an extremely long life and low maintenance and running costs coupled with applications in remote and hostile environmental environments. The rise of silicon technology has intensified research activities in the area of nuclear batteries. The paper aims to present a general overview of a nuclear battery.

Design/methodology/approach

This paper presents a general overview of a nuclear battery and will significantly reduce reliance on non-renewable energy source. The requirement for long-lived power supplies have necessitated the pragmatic shift toward the realization of cleaner, safer and renewable energy sources.

Findings

Nuclear battery is a safe enabling technology for many applications including military and commercial applications. They have very long operating life under harsh environmental conditions. These cells demonstrate high potential for use in low power applications under a broad range of temperatures.

Originality/value

The nuclear battery technology has been receiving considerable in-depth research for applications that require long-life power sources.
Medication adherence and associated factors among elderly hypertension patients with uncontrolled blood pressure in rural area, Northeast Thailand
Authors: Woodham Nanthakan , Taneepanichskul Surasak , Somrongthong Ratana , Auamkul Nanta
Published: December 2018

Purpose

Hypertension is a common disease among elderly. Adherence to antihypertensive medication is a key predictor of optimal blood pressure control that prevents the risk of cardiovascular disease and potentially death. The purpose of this paper is to assess adherence to antihypertension and identify associated factors among the elderly in a rural area, Buengkan province, Thailand.

Design/methodology/approach

A health facilities based cross-sectional study was conducted in Buengkan district. A simple random sampling method was used to select 408 participants. A structured questionnaire adapted from the World Health Organization STEPwise approach was used to collect data. The medication adherence level was identified by pill count with percentage ⩾70 defined as good adherence. Descriptive and summary statistics were used. Bivariate analysis was done using Pearson’s χ2 test, and multivariable analyses were also carried out.

Findings

A total of 408 (143 males and 265 females) elderly hypertension patients with uncontrolled blood pressure participated in this study. Most of the participants were found to have lower adherence to medication treatment (86.8 percent), whereas the remaining ones (13.2 percent) were found to have good adherence. The multivariable logistic regression analysis showed that having a daughter as a care taker (adjust odd ratio=7.99, 95% confidence interval: 1.23–51.778) was significantly associated with high medical adherence.

Originality/value

Hypertension medication adherence among elderly patients with uncontrolled blood pressure was poor. Having a care taker, especially a daughter, is a key to improve adherence. Effective strategy to improve adherence should focus on and involve family participation into the program.
Place satisfaction revisited: residents’ perceptions of “a good place to live”
Authors: Källström Lisa , Hultman Jens
Published: December 2018

Purpose

Using service-based logic as its theoretical lens, this study aims to approach residents’ place satisfaction in a novel way. The purpose is to explore residents’ perception of the place in which they live and to shed new light on their place satisfaction.

Design/methodology/approach

The paper is based on explorative qualitative focus group research. Data were collected in two typical municipalities in southern Sweden. The sampling procedure was purposive, resulting in six focus groups, consisting of a total of 33 residents. The empirical material was transcribed and analyzed using a structured content analysis inspired by grounded theory.

Findings

A model for understanding residents’ perceptions of what constitutes a good place to live is introduced. The model shows that many value propositions are produced in the provider sphere, independent of the user, for example by the municipality or the business sector. Other value propositions are co-created in a joint sphere, meaning that the user is actively involved in the production of these value propositions. The resident then uses different value propositions to create value-in-use in the resident sphere, independent of the provider, and to co-create value-in-use in the joint sphere.

Originality/value

The study creates a bridge between the stream of research on place satisfaction and studies that take stakeholders and co-creation into consideration; it shifts from the prevalent provider perspective on place branding and static place attributes to a focus on the relationship between users and providers.