bluuebunny/crossref_metadata_2025 huggingface dataset:
Cov-MS: a community-based template assay for clinical MS-based protein detection in SARS-CoV-2 patients
Authors: Van Puyvelde B. , Van Uytfanghe K. , Tytgat O. , Van Oudenhove L. , Gabriels R. , Bouwmeester R. , Daled S. , Van Den Bossche T. , Ramasamy P. , Verhelst S. , De Clerck L. , Corveleyn L. , Debunne N. , Wynendaele E. , De Spiegeleer B. , Judak P. , Roels K. , De Wilde L. , Van Eenoo P. , Reyns T. , Cherlet M. , Dumont E. , Debyser G. , t’Kindt R. , Sandra K. , Gupta S. , Drouin Nicolas , Harms Amy , Hankemeier Thomas , Jones DJL , Gupta P. , Lane D. , Lane C.S. , El Ouadi S. , Vincendet JB. , Morrice N. , Oehrle S. , Tanna N. , Silvester S. , Hannam S. , Sigloch F. , Bhangu-Uhlmann A. , Claereboudt J. , Anderson L. , Razavi M. , Degroeve S. , Cuypers L. , Stove C. , Lagrou K. , Martens G. , Deforce D. , Martens L. , Vissers J.P.C. , Dhaenens M.
Published: November 2020

Rising population density and global mobility are among the reasons why pathogens such as SARS-CoV-2, the virus that causes COVID-19, spread so rapidly across the globe. The policy response to such pandemics will always have to include accurate monitoring of the spread, as this provides one of the few alternatives to total lockdown. However, COVID-19 diagnosis is currently performed almost exclusively by Reverse Transcription Polymerase Chain Reaction (RT-PCR). Although this is efficient, automatable and acceptably cheap, reliance on one type of technology comes with serious caveats, as illustrated by recurring reagent and test shortages. We therefore developed an alternative diagnostic test that detects proteolytically digested SARS-CoV-2 proteins using Mass Spectrometry (MS). We established the Cov-MS consortium, consisting of fifteen academic labs and several industrial partners to increase applicability, accessibility, sensitivity and robustness of this kind of SARS-CoV-2 detection. This in turn gave rise to the Cov-MS Digital Incubator that allows other labs to join the effort, navigate and share their optimizations, and translate the assay into their clinic. As this test relies on viral proteins instead of RNA, it provides an orthogonal and complementary approach to RT-PCR, using other reagents that are relatively inexpensive and widely available, as well as orthogonally skilled personnel and different instruments. Data are available via ProteomeXchange with identifier PXD022550.
Prolonged presence of replication-competent SARS-CoV-2 in mildly symptomatic individuals: A Report of 2 Cases
Authors: Mendes-Correa Maria Cassia , Leal Fabio E. , Villas-Boas Lucy S. , Witkin Steven S. , de Paula Anderson , Tozetto-Mendonza Tania Regina , Ferreira Noely Evangelista , Curty Gislaine , de Carvalho Pedro Santos , Buss Lewis F. , Costa Silvia F. , da Cunha Carvalho Flavia Mendes , Kawakami Joyce , Taniwaki Noemi Nosomi , Paiao Heuder , da Silva Bizário Joao Carlos , de Jesus Jaqueline Goes , Sabino Ester Cerdeira , Romano Camila Malta , Zetone Grepan Regina Maura , Sesso Antonio
Published: November 2020

It has been estimated that individuals with COVID-19 can shed replication-competent virus up to a maximum of twenty days after initiation of symptoms. This report describes two patients with mild forms of the disease who shed replication-competent virus for 24 and 37 days, respectively, after symptom onset.
A Structural Signature Motif Enlightens the Origin and Diversification of Nuclear Receptors
Authors: Beinsteiner Brice , Markov Gabriel V. , Erb Stéphane , Chebaro Yassmine , McEwen Alastair , Cianférani Sarah , Laudet Vincent , Moras Dino , Billas Isabelle M.L.
Published: November 2020

Nuclear receptors are ligand-activated transcription factors that modulate gene regulatory networks from embryonic development to adult physiology and thus represent major targets for clinical interventions in many diseases. Most nuclear receptors function either as homodimers or as heterodimers. The dimerization is crucial for gene regulation by nuclear receptors, by extending the repertoire of binding sites in the promoters or the enhancers of target genes via combinatorial interactions. Here, we focused our attention on an unusual structural variation of the α-helix, called π-turn that is present in helix H7 of the ligand-binding domain of RXR and HNF4. By tracing back the complex evolutionary history of the π-turn, we demonstrate that it was present ancestrally and then independently lost in several nuclear receptor lineages. Importantly, the evolutionary history of the π-turn motif is parallel to the evolutionary diversification of the nuclear receptor dimerization ability from ancestral homodimers to derived heterodimers. We then carried out structural and biophysical analyses, in particular through point mutation studies of key RXR signature residues and showed that this motif plays a critical role in the network of interactions stabilizing homodimers. We further showed that the π-turn was instrumental in allowing a flexible heterodimeric interface of RXR in order to accommodate multiple interfaces with numerous partners and critical for the emergence of high affinity receptors. Altogether, our work allows to identify a functional role for the π-turn in oligomerization of nuclear receptors and reveals how this motif is linked to the emergence of a critical biological function. We conclude that the π-turn can be viewed as a structural exaptation that has contributed to enlarging the functional repertoire of nuclear receptors.
Effectiveness of remdesivir with and without dexamethasone in hospitalized patients with COVID-19
Authors: Garibaldi Brian T. , Wang Kunbo , Robinson Matthew L. , Zeger Scott L. , Roche Karen Bandeen , Wang Mei-Cheng , Alexander G. Caleb , Gupta Amita , Bollinger Robert , Xu Yanxun
Published: November 2020

Rationale

Remdesivir and dexamethasone reduced the severity of COVID-19 in clinical trials. However, their individual or combined effectiveness in clinical practice remains unknown.

Objectives

To examine the effectiveness of remdesivir with or without dexamethasone.

Methods

We conducted a multicenter, retrospective cohort study between March 4 and August 29, 2020. Eligible COVID cases were hospitalized patients treated with remdesivir with or without dexamethasone. We applied a Cox proportional hazards model with propensity score matching to estimate the effect of these treatments on clinical improvement by 28 days (discharge or a 2-point decrease in WHO severity score) and 28-day mortality.

Measurements and Main Results

Of 2485 COVID-19 patients admitted between March 4 and August 29, 2020, 342 received remdesivir and 157 received remdesivir plus dexamethasone. Median age was 60 years; 45% were female; 81% were non-white. Remdesivir recipients on room air or nasal cannula oxygen had a faster time to clinical improvement (median 5.0 days [IQR 4.0, 8.0], remdesivir vs. 7.0 days [IQR 5.0, 12.0], control; adjusted hazard ratio (aHR) 1.55 [1.28; 1.87]), yet those requiring higher levels of respiratory support did not benefit. Remdesivir recipients had lower, but statistically insignificant, 28-day mortality (7.6% [23 deaths], remdesivir vs. 14.9% [45 deaths], control). Adding dexamethasone trended toward lower 28-day mortality compared to remdesivir alone (5.1% [8 deaths] vs. 9.2% [17 deaths]; aHR 0.14 [0.02; 1.03]).

Conclusions

Remdesivir offered a significantly faster time to clinical improvement among a cohort of predominantly non-white patients hospitalized with COVID-19, particularly with mild-moderate disease. Remdesivir plus dexamethasone may reduce mortality.
Social patterning and stability of intention to accept a COVID-19 vaccine in Scotland: Will those most at risk accept a vaccine?
Authors: Williams Lynn , Flowers Paul , McLeod Julie , Young David , Rollins Lesley ,   CATALYST project team
Published: November 2020

Vaccination is central to controlling COVID-19. Its success relies on having safe and effective vaccines and also on high levels of uptake by the public over time. Addressing questions of population-level acceptability, stability of acceptance and sub-population variation in acceptability are imperative. Using a prospective design, a repeated measures two-wave online survey was conducted to assess key sociodemographic variables and intention to accept a COVID-19 vaccine. The first survey (time 1) was completed by 3436 people during the period of national lockdown in Scotland and the second survey (n = 2016) was completed two months later (time 2) when restrictions had been eased. At time one, 74% reported being willing to receive a COVID-19 vaccine. Logistic regression analyses showed that there were clear sociodemographic differences in intention to accept a vaccine for COVID-19 with intention being higher in participants of white ethnicity in comparison to Black, Asian, and minority ethnic (BAME) groups, and in those with higher income levels and higher education levels. Intention was also higher in those who were ‘shielding’ due to underlying medical conditions. Our results suggest that future interventions such as mass media and social marketing need to be targeted to a range of sub-populations and diverse communities.
Accelerating Medicines Partnership: Parkinson’s Disease. Genetic Resource
Authors: Iwaki Hirotaka , Leonard Hampton L. , Makarious Mary B. , Bookman Matt , Landin Barry , Vismer David , Casey Bradford , Gibbs J. Raphael , Hernandez Dena G. , Blauwendraat Cornelis , Vitale Daniel , Song Yeajin , Kumar Dinesh , Dalgard Clifton L. , Sadeghi Mahdiar , Dong Xianjun , Misquitta Leonie , Scholz Sonja W. , Scherzer Clemens R. , Nalls Mike A. , Biswas Shameek , Singleton Andrew B ,   Uniformed Services University of the Health Sciences Associates,   AMP PD Whole Genome Sequencing Working Group,   AMP PD consortium
Published: November 2020

Background

Whole-genome sequencing (WGS) data is available from several large studies across a variety of diseases and traits. However, massive storage and computation resources are required to use these data, and, to achieve the sufficient power for discoveries, harmonization of multiple cohorts is critical.

Objectives

The Accelerating Medicines Partnership Parkinson’s Disease (AMP PD) program has developed a research platform for Parkinson’s disease (PD) which integrates the storage and analysis of WGS data, RNA expression data, and clinical data, harmonized across multiple cohort studies.

Methods

The version 1 release contains WGS data derived from 3,941 participants from 4 cohorts. Samples underwent joint genotyping by the TOPMed Freeze 9 Variant Calling Pipeline. We performed descriptive analyses of these WGS data using the AMP PD platform.

Results

The clinical diagnosis of participants in version 1 release includes 2,005 idiopathic PD patients, 963 healthy controls, 64 prodromal subjects, 62 clinically diagnosed PD subjects without evidence of dopamine deficit (SWEDD) and 705 participants of genetically enriched cohorts carrying PD risk associated GBA variants or LRRK2 variants in which 304 were affected. We did not observe a significant enrichment of pathogenic variants in the idiopathic PD group, but the polygenic risk score (PRS) was higher in PD both in non-genetically enriched cohorts and genetically enriched cohorts. The population analysis showed a correlation between genetically enriched cohorts and Ashkenazi Jewish ancestry.

Conclusions

We describe the genetic component of the AMP PD platform, a solution to democratise data access and analysis for the PD research community.

(d) Financial Disclosure/CoI
Transposable Element activation promotes neurodegeneration in aDrosophilamodel of Huntington’s disease
Authors: Casale Assunta Maria , Liguori Francesco , Ansaloni Federico , Cappucci Ugo , Finaurini Sara , Spirito Giovanni , Persichetti Francesca , Sanges Remo , Gustincich Stefano , Piacentini Lucia
Published: November 2020

Huntington’s disease (HD) is a late-onset, autosomal dominant disorder characterized by progressive motor dysfunction, cognitive decline and psychiatric disturbances. The most prominent pathological manifestation is a selective loss of medium-sized spiny neurons of the striatum. The disease is caused by a CAG repeat expansion in theIT15gene, which elongates a stretch of polyglutamine at the amino-terminal of the HD protein, Huntingtin (Htt). Despite the accumulation of an impressive amount of data on the molecular basis of neurodegeneration, no therapeutic treatments are available and new pharmacological targets are needed.

Transposable Elements (TEs) are mobile genetic elements that constitute a large fraction of eukaryotic genomes. Retrotransposons (RTEs) replicate through an RNA intermediate and represent approximately 40% and 30% of the human andDrosophilagenomes. Mounting evidence suggests that mammalian RTEs are normally active during neurogenesis and may be involved in diseases of the nervous system.

Here we show that TE expression and mobilization are increased in aDrosophila melanogasterHD model. By inhibiting TE mobilization with Reverse Transcriptase inhibitors, polyQ-dependent eye neurodegeneration and genome instability in larval brains are rescued and fly lifespan is increased. These results suggest that TE activation may be involved in polyQ-induced neurotoxicity and a potential pharmacological target.
A Low-Cost Mass Spectrometry-Based Approach for Quantifying Purines in Placental Extracts
Authors: Rodriguez Ruslan , Konovets Igor , Ralchenko Serhii , Kharkhota Maxsim , Kostyuk Andrij , Kosach Victoriia , Voronina Irina , Filimonova Natalia , Obolenskaya Maria
Published: November 2020

Hyperhomocysteinemia is a medical condition characterized by an abnormally high level of homocysteine in the blood associated with multiple human pathologies including preeclampsia – the most feared complication of pregnancy, with placenta playing the central role in the pathogenesis of preeclampsia. The developing placenta is highly sensitive to different adverse factors but its response to hyperhomocysteinemia is not fully clear. Previously we have demonstrated the activation of reactions of methionine cycle and the transsulfuration pathway in placental explants cultivated with homocysteine. The reactions of the methionine cycle are tightly connected with reactions of the folate cycle, encompassing reactions ofde novopurine biosynthesis, which are crucial for the developing placenta, as they support rapid ATP generation to maintain energy status and increased biosynthesis of macromolecules. The sensitivity ofde novopurine biosynthesis to hyperhomocysteinemia is not known. The aim of this study was to evaluate the impact of homocysteine on placentalde novopurine biosynthesis.

Methods

We developed a simplified method to measure the level of all and newly formed purines by HPLC/ESI-MS, using a stable isotope glycine to label newly synthesized purines. The developed method proved to be highly sensitive, interday repeatable and intraday reproducible. We applied a method for placental explants from the first and third trimesters of gestation and MCF7 cells cultivated with 20 μM and 40 μM homocysteine corresponding to its concentrations at mild and intermediate hyperhomocysteinemia.

Results

The developed method proved to be highly sensitive, interday repeatable and intraday reproducible. The content of total purines in placental explants from the first trimester of gestation was around 9.0 μmol/g wet tissues at specified conditions of cultivation. The newly formed purines comprised around 1 % of total purines, decreased steadily in explants cultivated with 20 μM and 40 μM homocysteine, and reached the values characteristic for explants from third trimester cultivated without homocysteine, 4.0 μmol/g wet tissues. The effect of homocysteine reproduced with MCF7 cells.

Conclusion

Homocysteine in concentrations characteristic of mild and intermediate hyperhomocysteinemia induces the down regulation ofde novopurine biosynthesis in placental explants, and implies the shift of metabolic pathway to homocysteine remethylation and transsulfuration at the expense ofde novopurine biosynthesis.
A human stem cell-derived neurosensory-epithelial circuitry on-a-chip to model herpes simplex virus reactivation
Authors: Mazzara Pietro Giuseppe , Criscuolo Elena , Rasponi Marco , Massimino Luca , Muggeo Sharon , Palma Cecilia , Castelli Matteo , Clementi M Massimo , Burioni Roberto , Mancini Nicasio , Broccoli Vania , Clementi Nicola
Published: November 2020

Both emerging viruses and well-known viral pathogens endowed with neurotropism can either impair directly the neuronal functions or induce physio-pathological changes by diffusing from the periphery through neurosensory-epithelial connections. However, the current lack of anin vitrosystem modeling the connectivity between human neurons and peripheral tissues excludes the analysis of viral latency and reactivation and the assessment of natural/artificial induced anti-viral immunity. In this study, we developed the first stable topographic neurosensory-epithelial connection on-a-chip using human stem cell derived dorsal root ganglia (DRG) sensory neurons. Bulk and single cell transcriptomics showed that different combinations of key receptors for Herpes Simplex Virus 1 (HSV-1) are expressed by each sensory neuronal cell type. This neuronal-epithelial circuitry enabled a detailed analysis of the HSV infectivity faithfully modeling its dynamics and cell type specificity. The reconstitution of an organized connectivity between human sensory neurons and keratinocytes into microfluidic chips provides for the first time a powerfulin vitroplatform to model viral latency and reactivation of human viral pathogens.
Microbial Metagenomic Approach Uncovers the First Rabbit Haemorrhagic Disease Virus genome in Sub-Saharan Africa
Authors: Happi Anise N. , Ogunsanya Olusola A. , Oguzie Judith U. , Oluniyi Paul E. , Olono Alhaji S. , Heeney Jonathan L. , Happi Christian T.
Published: November 2020

Rabbit Haemorrhagic Disease (RHD) causes high morbidity and mortality in rabbits and hares. Here, we report the first genomic characterization of Rabbit Hemorrhagic Disease Virus (RHDV) from sub-Saharan Africa. While suspected, only a single PCR finding without sequence confirmation or characterization has been reported. Here, we used a microbial metagenomic approach to confirm and characterize pathogens causing the suspected outbreak of RHD in Ibadan, Nigeria. On the 25thSeptember 2020, the liver, spleen, and lung samples of five rabbits from an outbreak in 2 farms in Ibadan, Nigeria, were analyzed for the vp60 gene of RHDV by RT-PCR. Subsequently, Next Generation Sequencing on 1stof October revealed one full and two partial RHDV2 genomes on both farms. Phylogenetic analysis showed close clustering with RHDV2 lineages from Europe, in particular, 98.6% similarity with RHDV2 in the Netherlands, and 99.1 to 100% identity with RHDV2 in Germany, suggesting potential importation from Europe. The detection of twelve unique mutations in RHDV2 sequences from the Ibadan outbreak compared to other RHDV2 sequences in the same clade suggests significant genetic diversity of the GI.2 strains in Nigeria. This highlights the need to further understand the genetic diversity of Lagoviruses to, inform vaccine development, and for accurate tracking, monitoring, and control of outbreaks in Africa.
DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data
Authors: Vamvakeros A. , Coelho A. A. , Matras D. , Dong H. , Odarchenko Y. , Price S. W. T. , Butler K. T. , Gutowski O. , Dippel A.-C. , Zimmermann M. , Martens I. , Drnec J. , Beale A. M. , Jacques S. D. M.
Published: November 2020

A new tomographic reconstruction algorithm is presented, termed direct least-squares reconstruction (DLSR), which solves the well known parallax problem in X-ray-scattering-based experiments. The parallax artefact arises from relatively large samples where X-rays, scattered from a scattering angle 2θ, arrive at multiple detector elements. This phenomenon leads to loss of physico-chemical information associated with diffraction peak shape and position (i.e. altering the calculated crystallite size and lattice parameter values, respectively) and is currently the major barrier to investigating samples and devices at the centimetre level (scale-up problem). The accuracy of the DLSR algorithm has been tested against simulated and experimental X-ray diffraction computed tomography data using the TOPAS software.
Anisotropic thermal expansion of the acetylene–ammonia co-crystal under Titan's conditions
Authors: Vu Tuan H. , Maynard-Casely Helen E. , Cable Morgan L. , Hodyss Robert , Choukroun Mathieu , Malaska Michael J.
Published: November 2020

Acetylene and ammonia are known to form a stable orthorhombic co-crystal under the surface conditions of Saturn's moon Titan (1.5 bar = 150 kPa, 94 K). Such a material represents a potential new class of organic minerals that could play an important role in Titan's geology. In this work, the thermal expansion of this co-crystalline system has been derived from in situ powder X-ray diffraction data obtained between 85 and 120 K. The results indicate significant anisotropy, with the majority of the expansion occurring along the c axis (∼2% over the temperature range of interest). Rietveld refinements reveal little change to the structure compared with that previously reported by Boese, Bläser & Jansen [J. Am. Chem. Soc. (2009), 131, 2104–2106]. The expansion is consistent with the alignment of C—H...N interactions along the chains in the a and b axes, and weak intermolecular bonding in the structural layers along the c axis.
Cation distribution in Cu2ZnSnSe4, Cu2FeSnS4and Cu2ZnSiSe4by multiple-edge anomalous diffraction
Authors: Többens Daniel M. , Gurieva Galina , Niedenzu Sara , Schuck Götz , Zizak Ivo , Schorr Susan
Published: November 2020

Multiple-Edge Anomalous Diffraction (MEAD) has been applied to various quaternary sulfosalts belonging to the adamantine compound family in order to validate the distribution of copper, zinc and iron cations in the structure. Semiconductors from this group of materials are promising candidates for photovoltaic applications. Their properties strongly depend on point defects, in particular related to cation order–disorder. However, Cu+, Zn2+and Fe2+have very similar scattering factors and are all but indistinguishable in usual X-ray diffraction experiments. Anomalous diffraction utilizes the dependency of the atomic scattering factorsf′ andf′′ of the energy of the radiation, especially close to the element-specific absorption edges. In the MEAD technique, individual Bragg peaks are tracked over an absorption edge. The intensity changes depending on the structure factor can be highly characteristic for Miller indices selected for a specific structural problem, but require very exact measurements. Beamline KMC-2 at synchrotron BESSY II, Berlin, has been recently upgraded for this technique. Anomalous X-ray powder diffraction and XAFS compliment the data. Application of this technique confirmed established cation distribution in Cu2ZnSnSe4(CZTSe) and Cu2FeSnS4(CFTS). In contrast to the literature, cation distribution in Cu2ZnSiSe4(CZSiSe) is shown to adopt a highly ordered wurtz-kesterite structure type.
Correlation of the Madelung constant and I—M—I bonding angle with cohesive energy contributions in layered metal diiodides (MI2) with CdI2(2H polytype) structure
Authors: Harutyunyan Valeri S.
Published: November 2020

This study uses theoretically methods to investigate, for metal diiodidesMI2(M = Mg, Ca, Mn, Fe, Cd, Pb) with CdI2(2H polytype) structure, the mutual correlation between the structure-characterizing parameters (the flatness parameter of monolayersf, the Madelung constantA, and bonding angle I—M—I) and correlation of these parameters with contributions of the Coulomb and covalent energies to cohesive energy. The energy contributions to cohesive energy are determined with the use of empirical atomic potentials. It is demonstrated that the parametersfandA, and the bonding angle I—M—I are strictly correlated and increase in the same order: FeI2< PbI2< MnI2< CdI2< MgI2< CaI2. It is found that with an increase of parameterAand bonding angle I—M—I the relative contribution of the Coulomb energy to cohesive energy increases, whereas the relative contribution of the covalent energy decreases. For a hypotheticalMX2layered compound with the CdI2(2H polytype) structure, composed of regularMX6octahedra (angleX—M—X= 90°), the flatness parameter and the Madelung constant are found to befreg= 2.449 andAreg= 2.183, respectively. Correlation of the covalent energy with the type of distortion ofMI6octahedra (elongation or compression) with respect to regular configuration (angle I—M—I = 90°) is also analyzed.
Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles
Authors: Lindenthal Lorenz , Ruh Thomas , Rameshan Raffael , Summerer Harald , Nenning Andreas , Herzig Christopher , Löffler Stefan , Limbeck Andreas , Opitz Alexander Karl , Blaha Peter , Rameshan Christoph
Published: November 2020

Perovskite-type oxide materials (nominal composition ABO3) are a very versatile class of materials, and their properties are tuneable by varying and doping A- and B-site cations. When the B-site contains easily reducible cations (e.g. Fe, Co or Ni), these can exsolve under reducing conditions and form metallic nanoparticles on the surface. This process is very interesting as a novel route for the preparation of catalysts, since oxide surfaces decorated with finely dispersed catalytically active (often metallic) nanoparticles are a key requirement for excellent catalyst performance. Five doped perovskites, namely, La0.9Ca0.1FeO3–δ, La0.6Ca0.4FeO3–δ, Nd0.9Ca0.1FeO3–δ, Nd0.6Ca0.4FeO3–δ and Nd0.6Ca0.4Fe0.9Co0.1O3–δ, have been synthesized and characterized by experimental and theoretical methods with respect to their crystal structures, electronic properties, morphology and exsolution behaviour. All are capable of exsolving Fe and/or Co. Special emphasis has been placed on the influence of the A-site elemental composition on structure and exsolution capability. Using Nd instead of La increased structural distortions and, at the same time, hindered exsolution. Increasing the amount of Ca doping also increased distortions and additionally changed the Fe oxidation states, resulting in exsolution being shifted to higher temperatures as well. Using the easily reducible element Co as the B-site dopant significantly facilitated the exsolution process and led to much smaller and homogeneously distributed exsolved particles. Therefore, the Co-doped perovskite is a promising material for applications in catalysis, even more so as Co is catalytically a highly active element. The results show that fine-tuning of the perovskite composition will allow tailored exsolution of nanoparticles, which can be used for highly sophisticated catalyst design.
Flux growth, structure refinement and Mössbauer studies of Fe1–

x

Ga

x

BO3 single crystals
Authors: Smirnova Ekaterina S. , Snegirev Nikita I. , Lyubutin Igor S. , Starchikov Sergey S. , Artemov Vladimir V. , Lyubutina Marianna V. , Yagupov Sergey V. , Strugatsky Mark B. , Mogilenec Yuliya A. , Seleznyova Kira A. , Alekseeva Olga A.
Published: November 2020

High-quality Fe1–x
Ga

x

BO3 single crystals (0.0 ≤ x ≤ 1.0) in the form of basal plates were synthesized by the flux technique. The exact content of Fe and Ga and homogeneity of their distribution in the crystal structure were determined by energy-dispersive X-ray spectroscopy. The crystal structure was refined using single-crystal X-ray diffraction data. The electronic and magnetic properties were studied using Mössbauer spectroscopy. It is shown that even a small content of diamagnetic gallium leads to a rearrangement of the crystal structure and essentially changes the magnetic hyperfine parameters of the crystals.
Single crystal X-ray structure determination and temperature-dependent structural studies of the smectogenic compound 7OS5
Authors: Deptuch Aleksandra , Jaworska-Gołąb Teresa , Kusz Joachim , Książek Maria , Nagao Keigo , Matsumoto Takashi , Yamano Akihito , Ossowska-Chruściel Mirosława D. , Chruściel Janusz , Marzec Monika
Published: November 2020

Structural characteristics of solid and liquid crystalline phases of 7OS5 (4-n-pentylphenyl-4′-n-heptyloxythiobenzoate), the achiral smectogenic mesogen with the shortest terminal carbon chain in the nOS5 homologous series, are studied by complementary methods. Simultaneously perfomed X-ray diffraction and differential scanning calorimetry occur to be a powerful tool to study metastable phases. The single crystal structure of a high-temperature phase, supercooled from the room temperature down to −183°C [orthorhombic crystal system; space group Pca21; a = 54.285 (5) Å, b = 5.5843 (3) Å, c = 14.841 (1) Å, Z = 8] is determined. Lamellar ordering of elongated molecules is stabilized by hydrogen bonds . Temperature dependence of unit-cell parameters in two crystal phases as well as structural parameters of liquid crystalline phases (smectic layer spacing, tilt angle, average distance between the long axes of molecules and correlation lengths) are determined by X-ray diffraction. The obtained results are compared with the data available for other compounds in the nOS5 homologous series.
Crystal design by CH...N and N...N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds
Authors: Olejniczak Anna , Katrusiak Anna , Podsiadło Marcin , Katrusiak Andrzej
Published: November 2020

High-nitrogen-content compounds 6-azido-1,2,4-triazolo[4,3-b]pyridazine (C5H3N7) and its 3-methyl derivative (C6H5N7) have beenin situcrystallized in a diamond-anvil cell and their structures determined by single-crystal X-ray diffraction. Under ambient and high-pressure conditions the crystallizations yield the same phases: the C5H3N7anhydrate and C6H5N7hydrated clathrate. In both the structures there are clearly distinguished regions of short CH...N and N...N intermolecular contacts, the latter involving exclusively the azide groups. High pressure initially increases the contents of water in the channel pores of the clathrate.
1-(3,5-Dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine
Authors: Harish Chinthal Chayanna , Kavitha Channappa N. , Yathirajan Hemmige S. , Foro Sabine , Glidewell Christopher
Published: November 2020

In the title compound, C18H18N4O6, the piperazine ring adopts a chair conformation, the amidic N atom is planar (sum of angles = 360°) and the non-amidic N atom is pyramidal (343°). There are no hydrogen bonds of any kind in the crystal, but the molecules are linked by two independent π(nitrobenzene)...π(methoxybenzene) stacking interactions to form π-stacked sheets with inter-centroid separations of 3.8444 (12) and 3.9197 (12) Å.
Who is seen to be doing business research, and does it really matter? Gender representation at academic conferences
Authors: Walters Trudie , Hassanli Najmeh , Finkler Wiebke
Published: November 2020

Purpose

Gender inequality is evident in many academic practices, but research has often focused on the male-dominated science, technology, engineering and mathematics (STEM) fields. This study responds to calls for more work in the business disciplines which have been overlooked by comparison and focuses on academic conferences as a higher education practice. Conferences are manifestations of the research being conducted within the discipline, representing the type of knowledge that is considered valuable, and who the thought leaders are considered to be. This study investigates whether equal representation of women at such conferences really matters, to whom and why.

Design/methodology/approach

The research was designed using a critical feminist theory approach. An online survey was disseminated to academic staff and postgraduate students in the 25 top ranked business schools in Australia and New Zealand. A total of 452 responses were received, and thematic analysis was applied to open-ended responses.

Findings

Equal representation does matter, for two sets of reasons. The first align with feminist theory perspectives of “equal opportunity” (gender is neutral), “difference” (gender is celebrated) or “post-equity” (the social construction of gender itself is problematic). The second are pragmatic consequences, namely the importance of role modelling, career building and the respect and recognition that come with conference attendance and visible leadership roles.

Social implications

The findings have implications in regards to job satisfaction, productivity and the future recruitment and retention of women in academia. Furthermore, in areas where women are not researching, the questions and issues that are important to them are not receiving the attention they deserve, and this gender data gap has consequences for society at large.

Originality/value

This study moves beyond simply identifying the under-representation of women at academic conferences in yet another field, to investigate why equal representation is important and to whom. It provides valuable evidence of the consequences of under-representation, as perceived by academics themselves.
Can the shape influence entropy generation for thermal convection of identical fluid mass with identical heating? A finite element introspection
Authors: Lukose Leo , Basak Tanmay
Published: November 2020

Purpose

This paper aims to investigate the role of shapes of containers (nine different containers) on entropy generation minimization involving identical cross-sectional area (1 sq. unit) in the presence of identical heating (isothermal). The nine containers are categorized into three classes based on their geometric similarities (Class 1: square, tilted square and parallelogram; Class 2: trapezoidal type 1, trapezoidal type 2 and triangular; Class 3: convex, concave and curved triangular).

Design/methodology/approach

Galerkin finite element method is used to solve the governing equations for a representative fluid (engine oil: Pr = 155) at Ra = 103–105. In addition, finite element method is used to solve the streamfunction equation and evaluate the entropy generation terms (Sψ and Sθ). Average Nusselt number (

Nub¯) and average dimensionless spatial temperature (

θ^) are also evaluated via the finite element basis sets.

Findings

Based on larger

Nub¯, larger

θ^ and optimal Stotal values, containers from each class are preferred as follows: Class 1: parallelogrammic and square, Class 2: trapezoidal type 1 and Class 3: convex (larger

θ^, optimum Stotal) and concave (larger

Nub¯). Containers with curved walls lead to enhance the thermal performance or efficiency of convection processes.

Practical implications

Comparison of entropy generation, intensity of thermal mixing (

θ^) and average heat transfer rate give a clear picture for choosing the appropriate containers for processing of fluids at various ranges of Ra. The results based on this study may be useful to select a container (belonging to a specific class or containers with curved or plane walls), which can give optimal thermal performance from the given heat input, thereby leading to energy savings.

Originality/value

This study depicts that entropy generation associated with the convection process can be reduced via altering the shapes of containers to improve the thermal performance or efficiency for processing of identical mass with identical heat input. The comparative study of nine containers elucidates that the values of local maxima of Sψ (Sψ,max), Sθ (Sθ,max) and magnitude of Stotal vary with change in shapes of the containers (Classes 1–3) at fixed Pr and Ra. Such a comparative study based on entropy generation minimization on optimal heating during convection of fluid is yet to appear in the literature. The outcome of this study depicts that containers with curved walls are instrumental to optimize entropy generation with reasonable thermal processing rates.
Thermo-bioconvection of oxytactic microorganisms in porous media in the presence of magnetic field
Authors: Biswas Nirmalendu , Datta Aparesh , Manna Nirmal K. , Mandal Dipak Kumar , Gorla Rama Subba Reddy
Published: November 2020

Purpose

This study aims to explore magnetohydrodynamic (MHD) thermo-bioconvection of oxytactic microorganisms in multi-physical directions addressing thermal gradient, lid motion, porous substance and magnetic field collectively using a typical differentially heated two-sided lid-driven cavity. The consequences of a range of pertinent parameters on the flow structure, temperature, oxygen isoconcentration and microorganisms’ isoconcentration are examined and explained in great detail.

Design/methodology/approach

Two-dimensional governing equations in a two-sided lid-driven porous cavity heated differentially and packed with oxytactic microorganisms under the influence of the magnetic field are solved numerically using the finite volume method-based computational fluid dynamics code. The evolved flow physics is analyzed assuming a steady laminar incompressible Newtonian flow within the validity of the Boussinesq approximation. The transport of oxytactic microorganisms is formulated by augmenting the continuum model.

Findings

The mechanisms involved with MHD-mixed thermo-bioconvection could have potential benefits for industrial exploitation. The distributions of fluid flow, temperature, oxygen and motile microorganisms are markedly modified with the change of convection regime. Both speed and direction of the translating walls significantly influence the concentration of the motile microorganisms. The concentration of oxygen and motile microorganisms is found to be higher at the upper portion of the cavity. The overall patterns of the fluid flow, temperature and the oxygen and microorganism distributions are markedly affected by the increase of magnetic field strength.

Research limitations/implications

The concept of the present study could be extended to other areas of bioconvection in the presence of gravity, light or chemical attraction.

Practical implications

The findings of the present study could be used to multi-physical applications like biomicrosystems, pollutant dispersion in aquifers, chemical catalytic converters, geothermal energy usage, petroleum oil reservoirs, enhanced oil recovery, fuel cells, thermal energy storage and others.

Originality/value

The MHD-mixed thermo-bioconvection of oxytactic microorganisms is investigated under different parametric conditions. The effect of pertinent parameters on the heat and mass transfers are examined using the Nusselt number and Sherwood number.
Multi-level learning in public healthcare medical teams: the role of the social environment
Authors: Doyle Louise , Kelliher Felicity , Harrington Denis
Published: November 2020

Purpose

This study explores how individual, dyad and team levels of learning interact in public healthcare medical teams.

Design/methodology/approach

A single interpretive case study is carried out in the public Health Service Executive (HSE) in Ireland, involving three rounds of semi-structured interviews with non-consultant hospital doctors (NCHDs), supported by relevant professional documentation and researcher log entries.

Findings

An experience hierarchy, interpersonal relationships and social dynamics form the backdrop to learning interactions within public healthcare medical teams. Individual and team learning primarily occur in informal settings where interpreting and developing understanding takes place either in dyads, small groups or with the whole team. NCHD learning may vary depending on how effectively they build interpersonal relationships, take advantage of informal learning opportunities and manage the social dynamics within their team. Willingness and confidence to share insights and asking questions are triggers for individual and team learning.

Research limitations/implications

As a single case study focused on the HSE NCHD individual and team learning experience, this research study represents a relatively small exploration of individual and team learning interplay in the public healthcare medical team environment. The development of learning theory in this domain presents an intriguing avenue of further research, including observation of interactions within a team.

Practical implications

The findings have practical relevance to those who are interested in the effectiveness of post-graduate/ NCHD learning in the public healthcare system. Interpersonal relationships and social norms play strong roles in how interaction and learning occurs in a team. These findings highlight the challenge of ensuring consistent quality across individual NCHDs or across hospital sites when training is heavily influenced by the approach of senior colleagues/ consultants to their more junior colleagues and the degree to which they take an active interest in NCHD learning.

Originality/value

The proposed learning framework is a key theoretical contribution, which draws upon the multi-levels of learning and provides greater insight into how individual, dyad and team learning interact in public healthcare medical teams when managing patient care. The findings have practical relevance in how to facilitate effective teamwork and learning interactions and for those who are interested in the consistency and quality of the training experience for NCHDs.
Promoting critical thinking through an evidence-based skills fair intervention
Authors: Gonzalez Heidi C. , Hsiao E-Ling , Dees Dianne C. , Noviello Sherri R. , Gerber Brian L.
Published: November 2020

Purpose

The lack of critical thinking in new graduates has been a concern to the nursing profession. The purpose of this study was to investigate the effects of an innovative, evidence-based skills fair intervention on nursing students' achievements and perceptions of critical thinking skills development.

Design/methodology/approach

The explanatory sequential mixed-methods design was employed for this study.

Findings

The findings indicated participants perceived the intervention as a strategy for developing critical thinking.

Originality/value

The study provides educators helpful information in planning their own teaching practice in educating students.
Agricultural Productivity Growth and Poverty Reduction: Evidence from Thailand
Authors: Warr Peter , Suphannachart Waleerat
Published: November 2020

Raising agricultural productivity in developing countries is often said to reduce poverty more than comparable growth arising from other sectors. This claim has frequently been based on casual theorising, rather than empirical evidence. Productivity growth generates additional income and must benefit someone, though not necessarily the poor. It is conceivable that most, or even all of the benefits might go to others. Using region‐level data from Thailand, we study the relationship between agricultural productivity growth and rural poverty incidence. The dependent variable for our regression analysis is the annual rate of change in rural poverty incidence at the regional level between the years for which poverty data are available. Agricultural productivity is measured as the annual rate of change in regional total agricultural productivity, covering the same time intervals as the poverty observations, but lagged one calendar year. Other control variables include regional non‐agricultural incomes and the real price of food. The estimated coefficient on the change in agricultural productivity is negative and highly significant, implying that agricultural productivity growth does reduce rural poverty, holding other variables constant, though not more so than non‐agricultural sources of income growth. The poverty‐reducing contribution of recent agricultural productivity growth has been small. The poverty‐reducing effects of long‐term drivers of agricultural productivity growth are also analysed, using simulations based on the estimated model.
Role of chickpea flour in texturization of extruded pea protein
Authors: Webb Delaney , Plattner Blake J. , Donald Emily , Funk Danielle , Plattner Brian S. , Alavi Sajid
Published: November 2020

A growing demand for alternative sources of texturized vegetable protein (TVP) has resulted from various factors including plant allergies, perceived health risks associated with genetically modified organisms (GMO), animal welfare beliefs, and lifestyle choices. Soy and wheat have been the primary ingredients in TVP over the past few decades, but desires for clean label ingredients (especially non‐GMO and nonallergenic) have led to demand for alternative plant protein ingredients such as pea protein. To understand the capabilities of pea protein to create meat‐like texture with additions of another protein source that also contributes starch, this study focused on extruding pea protein with increasing amounts of chickpea flour (CPF). Six treatments, with inclusions of CPF ranging from 0 to 50%, were processed on a twin‐screw extruder to determine the optimal ratio of pea protein isolate to CPF. Bulk density was the greatest with 20% CPF (272 g/L) and resulted in the lowest water holding capacity (55.5%). Texture profile analysis (TPA) hardness, springiness, and chewiness showed optimum results for the 10 and 20% CPF (674 to 1024 g, 72.1 to 80.7%, 400 to 439, respectively). With no CPF addition, protein interactions created a strong network exhibiting extreme springiness (91.3%). Addition of CPF greater than 20% resulted in a detrimental decrease in hardness by 38 to 84% and chewiness by 73 to 92%. Phase transition analysis and specific mechanical energy data provided a greater understanding of the degree of texturization during extrusion. Inclusion of CPF between 10 and 20% led to the optimum protein to starch ratio, allowing adequate protein texturization and creating product characteristics that could potentially mimic meat.

Practical Application

Pea protein was mixed with increasing levels of chickpea flour to produce a textured plant protein product using extrusion technology. The ratio of protein to starch can be optimized to target specific textural attributes of textured pea protein to closely mimic different meat products like fish, chicken, or beef. The 10 and 20% chickpea flour treatments produced the highest quality products according to textural attributes.
Insurance law and incomplete contracts
Authors: Bourgeon Jean‐Marc , Picard Pierre
Published: November 2020

We analyze how insurance law can mitigate moral hazard by allowing insurers to reduce or cancel coverage in some circumstances. We consider an incomplete contract setting in which the insurer may obtain information related to the policyholder's behavior through a costly audit of the circumstances of the loss. Court decisions are based on a standard of proof such as the balance of probabilities. We show that an optimal insurance law brings efficiency gains compared to the no‐audit case. We also highlight the conditions under which the burden of proof should be on the insured, provided that insurers are threatened with sanctions for bad faith.