bluuebunny/crossref_metadata_2025 huggingface dataset:
O
rrella
Authors: Carlier Aurelien
Published: October 2019

Orr.el'la. N.L. dim. fem. n.
Orrella
named in honour of Matthew Young Orr, the botanist who first described the leaf glands of
Dioscorea sansibarensis
(syn.
macroura
) (Young Orr, 1923).

Proteobacteria / Betaproteobacteria / Burkholderiales / Alcaligenaceae / Orrella

Cells are nonmotile, non‐spore‐forming coccobacilli (0.9–1.1 µm). Gram‐negative. Strictly respiratory with oxygen or nitrate as terminal electron acceptor. The optimal temperature for growth is 15–30°C, feeble at 40°C; no growth at 42°C. Optimal growth occurs between pH 7 and 9; no growth at pH 6 or less. Broth cultures form aggregates in stationary phase, and static broth cultures form a thick, brittle pellicle near the surface. Colonies on agar medium are low convex, nonpigmented, smooth, shiny, and mostly regular in shape, raised with a wrinkled surface upon extended incubation for more than 72 h. Catalase‐ and oxidase‐positive. A narrow range of substrates are oxidized, mostly organic acids, for example, malate, succinate, fumarate, citrate, and oxaloacetate and also
l
‐glutamate and
l
‐proline;
d
‐galactonate and
d
‐gluconate are oxidized by some strains. Strict endophytes found in the leaf glands of the tropical yam
Dioscorea sansibarensis
.

DNA G + C content (mol%)
: 67.1–67.6 (calculated from draft genome sequences).

Type species
:
Orrella dioscoreae
Carlier, Cnockaert, Fehr, Vandamme and Eberl 2019, 6
VP
(Effective publication: Carlier, Cnockaert, Fehr, Vandamme and Eberl 2017, 19).
Field‐in‐field breast planning for a jawless, double‐stack MLC LINAC using flattening‐filter‐free beams
Authors: Morris Robert , Laugeman Eric , Hilliard Jessica , Zoberi Imran , Heerman Ana , Hugo Geoffrey , Mutic Sasa , Cai Bin
Published: October 2019

Background

This study intends to develop an efficient field‐in‐field (FiF) planning technique with the Eclipse treatment planning system (TPS) to determine the feasibility of using the Halcyon treatment delivery system for 3D treatment of breast cancer.

Methods

Ten treatment plans were prepared on the Halcyon treatment planning system and compared to the same patients’ clinically delivered TrueBeam plans which used flattened 6 MV and 10 MV beams. Patients selected for this study were treated via simple, tangential breast irradiation and did not receive radiotherapy of the supraclavicular or internal mammary lymph nodes. Planning target volumes (PTV) volumes ranged from 519 cc to 1211 cc with a mean target volume of 877 cc. Several planning techniques involving collimator, gantry rotation, and number of FiF segments were investigated as well as the use of the dynamically flattened beam (DFB) — a predefined MLC pattern that is designed to provide a flattened beam profile at 10 cm depth on a standard water phantom. For comparison, the clinically delivered TrueBeam plans remained unaltered except for normalization of the target coverage to more readily compare the two treatment delivery techniques.

Results

Using the physician defined PTV, normalized such that 98% of the volume was covered by 95% of the prescribed dose, the Halcyon plans were deemed clinically acceptable and comparable to the TrueBeam plans by the radiation oncologist. Resulting average global maximum doses in the test patients were identical between the TrueBeam and Halcyon plans (108% of Rx) and a mean PTV dose of 102.5% vs 101.6%, respectively.

Conclusions

From this study a practical and efficient planning method for delivering 3D conformal breast radiotherapy using the Halcyon linear accelerator has been developed. When normalized to the clinically desired coverage, hot spots were maintained to acceptable levels and overall plan quality was comparable to plans delivered on conventional C‐arm LINACs.
Graphene‐Based Devices for Thermal Energy Conversion and Utilization
Authors: Li Yu‐Tao , Tian Ye , Sun Meng‐Xing , Tu Tao , Ju Zhen‐Yi , Gou Guang‐Yang , Zhao Yun‐Fei , Yan Zhao‐Yi , Wu Fan , Xie Dan , Tian He , Yang Yi , Ren Tian‐Ling
Published: October 2019

Thermal energy conversion and utilization of integrated circuits is a very important research topic. Graphene is a new 2D material with superior electrical, mechanical, thermal, and optical properties, which is expected to continue Moore's law and make breakthroughs in the direction of “More than Moore.” Graphene‐based functionalized devices are applied in various aspects, including breakthroughs in thermal devices, due to their high thermal conductivity and thermal rectification. According to the coupling of different physical quantities, graphene‐based thermal devices can be divided into four categories: uncoupled thermal devices, thermoacoustic coupling devices, thermoelectric coupling devices, and thermo‐optical coupling devices. The structure, working mechanism, and performance of these devices are discussed, as well as the coupling methods of physical quantities. Moreover, scale‐up production of graphene and prospect for future graphene‐based thermal devices are summarized. In‐depth study of the development tendency of these graphene‐based thermal devices is expected to contribute to the development of new high‐performance thermal nanoelectronic devices in the future.
Conductive Hierarchical Hairy Fibers for Highly Sensitive, Stretchable, and Water‐Resistant Multimodal Gesture‐Distinguishable Sensor, VR Applications
Authors: Choi Seunghoon , Yoon Kukro , Lee Sanggeun , Lee Heon Joon , Lee Jaehong , Kim Da Wan , Kim Min‐Seok , Lee Taeyoon , Pang Changhyun
Published: October 2019

Conductive fibers, which are highly adaptable to the morphologies of the human body, are attractive for the development of wearable systems, smart clothing, and textronics to detect various biological signals and human motions. A fiber‐based conductive sensor interconnected with hierarchical microhairy architectures, exhibiting remarkable stretchability (<200%) and sensitivity for various stimuli (pressure, stretching, and bending), is developed. For distinguishability of multiple gestures, two hierarchical hairy conductive fibers are twisted to fabricate a fiber‐type sensor, which monitors distinct waveforms of electrical signals retrieved from pressure, stretching, and bending. This sensor is highly robust under repeated appliances of external stimuli over multiple cyclic tests of various modes (<2200 cycles for each stimulus). Upon formation of a self‐assembled monolayer, it exhibits stable performance even under wet conditions. For practical applications, this sensor can be weaved into a smart glove to demonstrate a pressure and gesture‐discernible wearable controller for virtual reality (VR) interface, shedding light on advances in wearable electronics with medical and healthcare functionalities and VR systems.
Interfacial Residual Stress Relaxation in Perovskite Solar Cells with Improved Stability
Authors: Wang Hao , Zhu Cheng , Liu Lang , Ma Sai , Liu Pengfei , Wu Jiafeng , Shi Congbo , Du Qin , Hao Yanmin , Xiang Sisi , Chen Haining , Chen Pengwan , Bai Yang , Zhou Huanping , Li Yujing , Chen Qi
Published: October 2019

To improve the photovoltaic performance (both efficiency and stability) in hybrid organic–inorganic halide perovskite solar cells, perovskite lattice distortion is investigated with regards to residual stress (and strain) in the polycrystalline thin films. It is revealed that residual stress is concentrated at the surface of the as‐prepared film, and an efficient method is further developed to release this interfacial stress by A site cation alloying. This results in lattice reconstruction at the surface of polycrystalline thin films, which in turn results in low elastic modulus. Thus, a “bone‐joint” configuration is constructed within the interface between the absorber and the carrier transport layer, which improves device performance substantially. The resultant photovoltaic devices exhibit an efficiency of 21.48% with good humidity stability and improved resistance against thermal cycling.
LiBr‐Promoted Photoredox Minisci‐Type Alkylations of Quinolines with Ethers
Authors: Wang Zhongzhen , Ji Xiaochen , Han Tonghao , Deng Guo‐Jun , Huang Huawen
Published: October 2019

A visible‐light‐mediated photoredox Minisci‐type alkylation with ethers as the alkylating reagent is reported. User‐friendly LiBr has been found to be the key promoter for this radical coupling. The reaction exhibits broad functional group tolerance for both C2 and C4 couplings/alkylations of quinolines. Mechanistic studies suggest that the bromide additive could not only dramatically enhance the reaction but also alter the reaction mechanism probably over a reductive catalytic cycle.

magnified image
Corrugation Enabled Asymmetrically Ultrastretchable (95%) Monocrystalline Silicon Solar Cells with High Efficiency (19%)
Authors: El‐Atab Nazek , Qaiser Nadeem , Bahabry Rabab , Hussain Muhammad Mustafa
Published: October 2019

Stretchable solar cells are of growing interest due their key role in realizing many applications such as wearables and biomedical devices. Ultrastretchability, high energy‐efficiency, biocompatibility, and mechanical resilience are essential characteristics of such energy harvesting devices. Here, the development of wafer‐scale monocrystalline silicon solar cells with world‐record ultrastretchability (95%) and efficiency (19%) is demonstrated using a laser‐patterning based corrugation technique. The demonstrated approach transforms interdigitated back contacts (IBC) based rigid solar cells into mechanically reliable but ultrastretchable cells with negligible degradation in the electric performance in terms of current density, open‐circuit voltage, and fill factor. The corrugation method is based on the creation of alternating grooves resulting in silicon islands with different shapes. The stretchability is achieved by orthogonally aligning the active silicon islands to the applied tensile stress and using a biocompatible elastomer (Ecoflex) as a stretchable substrate. The resulting mechanics ensure that the brittle silicon areas do not experience significant mechanical stresses upon asymmetrical stretching. Different patterns are studied including linear, diamond, and triangular patterns, each of which results in a different stretchability and loss of active silicon area. Finally, finite element method based simulation is conducted to study the generated deformation in the different patterned solar cells.
Estimating vibrational and thermodynamic properties of adsorbates with uncertainty using data driven surrogates
Authors: Tian Huijie , Rzepa Christopher , Upadhyay Ronak , Rangarajan Srinivas
Published: October 2019

In this work, we propose a strategy to develop data driven local surrogate models of ab initio potential energy functions describing the interaction of adsorbates on heterogeneous catalytic materials. We show that these multivariable surrogate models, based on orthogonal polynomial expansion and trained on sampled ab‐initio energies/forces, can be used to compute harmonic vibrational frequencies and the entropy of adsorbates. Further, we show that the errors in our surrogate model can be estimated and propagated to calculate the uncertainty in the computed properties. We show proof‐of‐concept illustrations of our method to calculate the vibrational frequencies of ethene on 1D edges of molybdenum sulfide (MoS2), (b) 2D surfaces of Pt(111), and (c) 3D micropores of a HZSM‐5 zeolite; the entropy of ethane adsorbed on Pt(111); and the associated uncertainties in all the cases.
Epigenetic signatures in overgrowth syndromes: Translational opportunities
Authors: Cytrynbaum Cheryl , Choufani Sanaa , Weksberg Rosanna
Published: October 2019

In recent years, numerous overgrowth syndromes have been found to be caused by pathogenic DNA sequence variants in “epigenes,” genes that encode proteins that function in epigenetic regulation. Epigenetic marks, including DNA methylation (DNAm), histone modifications and chromatin conformation, have emerged as a vital genome‐wide regulatory mechanism that modulate the transcriptome temporally and spatially to drive normal developmental and cellular processes. Evidence suggests that epigenetic marks are layered and engage in crosstalk, in that disruptions of any one component of the epigenetic machinery impact the others. This interdependence of epigenetic marks underpins the recent identification of gene‐specific DNAm signatures for a variety of disorders caused by pathogenic variants in epigenes. Here, we discuss the power of DNAm signatures with respect to furthering our understanding of disease pathophysiology, enhancing the efficacy of molecular diagnostics and identifying new targets for therapeutics of overgrowth syndromes. These findings highlight the promise of the field of epigenomics to provide unprecedented insights into disease mechanisms generating a host of opportunities to advance precision medicine.
Increased risk of psoriasis in children and elderly patients with asthma: a longitudinal follow‐up study using a national sample cohort
Authors: Kim So Young , Min Chanyang , Oh Dong Jun , Choi Hyo Geun
Published: October 2019

Background

Several previous studies reported the elevated risk of asthma in children with psoriasis. This study aimed to extend previous research regarding the risk of psoriasis in children with asthma to an entire population subdivided by age.

Methods

The 2002‐2013 Korean Health Insurance Review and Assessment Service–National Sample Cohort (HIRA‐NSC) was used. The 167,693 participants with asthma were matched with 167,693 control participants for age, sex, income, region of residence, hypertension history, diabetes history, and dyslipidemia history. In both the asthma and control groups, the occurrences of asthma were investigated. The crude and adjusted hazard ratios (HRs) and 95% confidence intervals (CIs) for psoriasis with respect to asthma status were determined using stratified Cox proportional hazards models. Subgroup analyses were conducted according to age and sex.

Results

The prevalence of psoriasis was 0.5% (95% CI, 0.4% to 0.5%; n = 771/167,693) in the asthma group and 0.4% (95% CI, 0.3% to 0.4%; n = 589/167,693) in the control group (p < 0.001). The asthma group (adjusted HR = 1.19; 95% CI, 1.07 to 1.33; p = 0.002) demonstrated higher HRs for psoriasis than did the control group. This result was consistent in the <15 years old, ≥60 years old, and women subgroups.

Conclusion

Asthma was associated with the elevated risk of psoriasis. The possible risk of psoriasis needs to be considered when managing asthma patients. Future study is warranted for the risk of psoriasis according to the endotypes of asthma.
In‐Depth TEM Investigation on Structural Inhomogeneity within a Primary LixNi0.835Co0.15Al0.015O2 Particle: Origin of Capacity Decay during High‐Rate Discharge
Authors: Lee Hyesu , Jo Eunmi , Chung Kyung Yoon , Byun Dongjin , Kim Seung Min , Chang Wonyoung
Published: October 2019

The structural stability of cathode materials during electrochemical reactions, in particular, under high‐rate discharge, is pertinent to the design and development of new electrode materials. This study investigates the structural inhomogeneity that develops within a single LiNi0.835Co0.15Al0.015O2 (NCA83) particle during a fast discharging process under different cutoff voltages. Some of the NCA83 particles discharged from a high cutoff voltage (4.8 V) developed surface areas in which the layered structure was recovered, although the interiors retained the degraded spinel structure. These micro‐ and nano‐scale structural inversions from high cutoff voltage seem highly correlated with structural evolutions in the initial charged state, and may ultimately degrade the cycling stability. This study advances understanding of the structural inhomogeneity within primary particles during various electrochemical processes and may facilitate the development of new Ni‐rich cathode materials.
The Electron Spin as a Chiral Reagent
Authors: Metzger Tzuriel S. , Mishra Suryakant , Bloom Brian P. , Goren Naama , Neubauer Avner , Shmul Guy , Wei Jimeng , Yochelis Shira , Tassinari Francesco , Fontanesi Claudio , Waldeck David H. , Paltiel Yossi , Naaman Ron
Published: October 2019

We show that enantioselective reactions can be induced by the electron spin itself and that it is possible to replace a conventional enantiopure chemical reagent by spin‐polarized electrons that provide the chiral bias for enantioselective reactions. Three examples of enantioselective chemistry resulting from electron‐spin polarization are presented. One demonstrates the enantioselective association of a chiral molecule with an achiral self‐assembled monolayer film that is spin‐polarized, while the other two show that the chiral bias provided by the electron helicity can drive both reduction and oxidation in enantiospecific electrochemical reactions. In each case, the enantioselectivity does not result from enantiospecific interactions of the molecule with the ferromagnetic electrode but from the polarized spin that crosses the interface between the substrate and the molecule. Furthermore, the direction of the electron‐spin polarization defines the handedness of the enantioselectivity. This work demonstrates a new mechanism for realizing enantioselective chemistry.
Reactions of Bromine Fluoride Dioxide, BrO2F, for the Generation of the Mixed‐Valent Bromine Oxygen Cations Br3O4+ and Br3O6+
Authors: Seppelt Konrad
Published: October 2019

A reliable synthesis of unstable and highly reactive BrO2F is reported. This compound can be converted into BrO2+SbF6−, BrO2+AsF6−, and BrO2+AsF6−⋅2 BrO2F. The latter decomposes into mixed‐valent Br3O4⋅Br2+AsF6− with five‐, three‐, one‐, and zero‐valent bromine. BrO2+ H(SO3CF3)2− is formed with HSO3CF3. Excess BrO2F yields mixed‐valent Br3O6+OSO3CF3− with five‐ and three‐valent bromine. Reactions of BrO2F and MoF5 in SO2ClF or CH2ClF result in Cl2BrO6+Mo3O3F13−. The reaction of BrO2F with (CF3CO)2O and NO2 produces O2Br‐O‐CO‐CF3 and the known NO2+Br(ONO2)2−. All of these compounds are thermodynamically unstable.
Indian Ocean humpback dolphin in the Menai Bay off the south coast of Zanzibar, East Africa is Critically Endangered
Authors: Sharpe Matt , Berggren Per
Published: October 2019

Cetaceans occupying coastal habitats are at high risk of impact from anthropogenic sources which can cause direct mortality or affect long‐term health. Monitoring and detecting change require long‐term studies and reliable funding, not always available especially in developing countries. Management and conservation of cetaceans must therefore use precautionary methods that allow assessment from limited data sources to identify risk of, and prevent, species extirpation or extinction.

IUCN Red List criteria for regional populations was applied to the population of Indian Ocean humpback dolphins (Sousa plumbea) resident in Menai Bay Conservation Area off the south coast of Zanzibar, East Africa which is subjected to unsustainable entanglement rates in gillnet fisheries and unregulated tourism activities. Photographic identification surveys were conducted in 2015 to generate a new abundance estimate from capture–recapture analysis. Mortality estimates were calculated using available data from 1999 to 2002 and a population viability analysis was conducted based on population, species and genus specific parameters.

The 2015 abundance estimate for humpback dolphins was 19 (95% CI 14–25) non‐calf individuals, representing a 63% reduction in abundance since 2002. The population viability analysis baseline scenario predicted chance of extinction at 0.996 (SE 0.002) with the median time to extinction at 36 years. Sensitivity analysis suggested that population recovery would only be possible with a complete prevention of bycatch mortality.

The population met the threshold for Critically Endangered for all criteria which could be directly assessed. This conservation assessment highlights the requirement for immediate management action to eliminate bycatch of humpback dolphins to prevent the local extinction of the species.
Vascular Patterns in the Heads of Dinosaurs: Evidence for Blood Vessels, Sites of Thermal Exchange, and Their Role in Physiological Thermoregulatory Strategies
Authors: Porter William Ruger , Witmer Lawrence M.
Published: October 2019

Body size has thermal repercussions that impact physiology. Large‐bodied dinosaurs potentially retained heat to the point of reaching dangerous levels, whereas small dinosaurs shed heat relatively easily. Elevated body temperatures are known to have an adverse influence on neurosensory tissues and require physiological mechanisms for selective brain and eye temperature regulation. Vascular osteological correlates in fossil dinosaur skulls from multiple clades representing different body‐size classes were identified and compared. Neurovascular canals were identified that differentiate thermoregulatory strategies involving three sites of evaporative cooling that are known in extant diapsids to function in selective brain temperature regulation. Small dinosaurs showed similarly sized canals, reflecting a plesiomorphic balanced pattern of blood supply and a distributed thermoregulatory strategy with little evidence of enhancement of any sites of thermal exchange. Large dinosaurs, however, showed a more unbalanced vascular pattern whereby certain sites of thermal exchange were emphasized for enhanced blood flow, reflecting a more focused thermal strategy. A quantitative, statistical analysis of canal cross‐sectional area was conducted to test these anatomical results, confirming that large‐bodied, and often large‐headed, species showed focused thermal strategies with enhanced collateral blood flow to certain sites of heat exchange. Large theropods showed evidence for a plesiomorphic balanced blood flow pattern, yet evidence for vascularization of the large antorbital paranasal air sinus indicates theropods may have had a fourth site of heat exchange as part of a novel focused thermoregulatory strategy. Evidence presented here for differing thermoregulatory strategies based on size and phylogeny helps refine our knowledge of dinosaur physiology. Anat Rec, 303:1075–1103, 2020. © 2019 American Association for Anatomy
Changes in emergence phenology, fatty acid composition, and xenobiotic‐metabolizing enzyme expression is associated with increased insecticide resistance in the Colorado potato beetle
Authors: Clements Justin , Olson Jake M. , Sanchez‐Sedillo Benjamin , Bradford Benjamin , Groves Russell L.
Published: October 2019

The Colorado potato beetle (Leptinotarsa decemlineata) is a major agricultural pest of solanaceous crops. An effective management strategy employed by agricultural producers to control this pest species is the use of systemic insecticides. Recent emphasis has been placed on the use of neonicotinoid insecticides. Despite efforts to curb resistance development through integrated pest management approaches, resistance to neonicotinoids in L. decemlineata populations continues to increase. One contributing factor may be alterations in insect fatty acids, which have multiple metabolic functions and are associated with the synthesis of xenobiotic‐metabolizing enzymes to mitigate the effects of insecticide exposure. In this study, we analyzed the fatty acid composition of L. decemlineata populations collected from an organic production field and from a commercially managed field to determine if fatty acid composition varied between the two populations. We demonstrate that a population of L. decemlineata that has a history of systemic neonicotinoid exposure (commercially managed) has a different lipid composition and differential expression of known metabolic detoxification mechanisms relative to a population that has not been exposed to neonicotinoids (organically managed). The fatty acid data indicated an upregulation of Δ6 desaturase in the commercially managed L. decemlineata population and suggest a role for eicosanoids and associated metabolic enzymes as potential modulators of insecticide resistance. We further observed a pattern of delayed emergence within the commercially managed population compared with the organically managed population. Variations in emergence timing together with specific fatty acid regulation may significantly influence the capacity of L. decemlineata to develop insecticide resistance.
Synthesis, characterization, and antimicrobial activity of some new N‐aryl‐N’‐(2‐oxoindolin‐3‐ylidene)‐benzohydrazonamides
Authors: Gomaa Mohsen A.‐M. , Hassan Doaa K.
Published: October 2019

A green approach was developed for synthesizing a series of (isatin‐3‐ylidene)‐hydrazonamides 3a–j from the reaction between isatin, (isatin‐3‐ylidene)malononitrile, or 2‐cyano‐2‐(2‐isatin‐3‐ylidene)acetate and benzohydrazonamide in ethyl acetate solutions at ambient temperature. The structures of the new compounds were confirmed on the basis of spectral data. In this eco‐friendly medium, a variety of (isatin‐3‐ylidene)hydrazonamides were obtained free of catalyst in good to excellent yields. All the synthesized products were evaluated for their antimicrobial activity. Among the compounds tested, 3b and 3d exhibited good antibacterial activity against Staphylococcus aureus, whereas others responded moderately with reference to the standard drug ciprofloxacin.
Comparing Automatic Eye Tracking and Manual Gaze Coding Methods in Young Children with Autism Spectrum Disorder
Authors: Venker Courtney E. , Pomper Ron , Mahr Tristan , Edwards Jan , Saffran Jenny , Ellis Weismer Susan
Published: October 2019

Eye‐gaze methods offer numerous advantages for studying cognitive processes in children with autism spectrum disorder (ASD), but data loss may threaten the validity and generalizability of results. Some eye‐gaze systems may be more vulnerable to data loss than others, but to our knowledge, this issue has not been empirically investigated. In the current study, we asked whether automatic eye‐tracking and manual gaze coding produce different rates of data loss or different results in a group of 51 toddlers with ASD. Data from both systems were gathered (from the same children) simultaneously, during the same experimental sessions. As predicted, manual gaze coding produced significantly less data loss than automatic eye tracking, as indicated by the number of usable trials and the proportion of looks to the images per trial. In addition, automatic eye‐tracking and manual gaze coding produced different patterns of results, suggesting that the eye‐gaze system used to address a particular research question could alter a study's findings and the scientific conclusions that follow. It is our hope that the information from this and future methodological studies will help researchers to select the eye‐gaze measurement system that best fits their research questions and target population, as well as help consumers of autism research to interpret the findings from studies that utilize eye‐gaze methods with children with ASD. Autism Res 2020, 13: 271‐283. © 2019 International Society for Autism Research, Wiley Periodicals, Inc.

Lay Summary

The current study found that automatic eye‐tracking and manual gaze coding produced different rates of data loss and different overall patterns of results in young children with ASD. These findings show that the choice of eye‐gaze system may impact the findings of a study—important information for both researchers and consumers of autism research.
Modelling the relationships between teacher working conditions, job satisfaction and workplace mobility
Authors: Sims Sam
Published: October 2019

Teacher shortages are a recurring problem in publicly funded schools, in part because of poor retention. Working conditions in schools are an important predictor of teacher job satisfaction and retention, yet research has so far made limited headway in identifying the specific aspects of the working environment which matter. This research uses representative data on state secondary school teachers in England in 2013 to derive an unusually rich set of working conditions variables. Regression analysis is used to model the relationships between working conditions, teacher job satisfaction and turnover intentions. The results show strong associations with the nature of school leadership, whether teachers have received training in the specific subjects they are assigned to teach and scope for career progression within the school. These results are robust to checks for common source bias. The study identifies ways in which schools can improve retention.
Palladium‐Catalyzed Thio‐ and Selenocarbonylation of 2‐Iodoglycals
Authors: Darbem Mariana P. , Esteves Henrique A. , de Oliveira Isadora M. , Pimenta Daniel C. , Stefani Hélio A.
Published: October 2019

The carbonylative cross‐coupling reactions of 2‐iodoglycals with thiols and selenols in the presence of molybdenum hexacarbonyl as a solid source of carbon monoxide is described. This methodology permitted the synthesis of 29 C2‐glycosides bearing thioester and selenoester functionalities in moderate to excellent yields and high functional group tolerance. Moreover, this communication describes the first catalytic carbonylative coupling reaction of selenols with a carbon electrophile.
Investigating the Active Species in a [(R‐SN(H)S‐R)CrCl3] Ethene Trimerization System: Mononuclear or Dinuclear?
Authors: Venderbosch Bas , Oudsen Jean‐Pierre H. , Martin David J. , de Bruin Bas , Korstanje Ties J. , Tromp Moniek
Published: October 2019

Cr‐catalyzed ethene trimerization is an industrially important process to produce 1‐hexene. Despite its industrial relevance, the changing oxidation state and the structural rearrangements of the metal center during the catalytic cycle remain unclear. In this study, we have investigated the active species in a [(R‐SN(H)S−R)CrCl3] (R=C10H21) catalyzed ethene trimerization system using a combination of spectroscopic techniques (XAS, EPR and UV/VIS) and DFT calculations. Reaction of the octahedral CrIII complex with modified methylaluminoxane (MMAO) in absence of ethene gives rise to the formation of a square‐planar CrII complex. In the presence of ethene (1 bar), no coordination was observed, which we attribute to the endergonic nature of the coordination of the first ethene molecule. Employing an alkyne as a model for ethene coordination leads to the formation of a dinuclear cationic CrIII alkyne complex. DFT calculations show that a structurally related dinuclear cationic CrIII ethene complex could form under catalytic conditions. Comparing a mechanism proceeding via mononuclear cationic CrII/CrIV intermediates to that proceeding via dinuclear cationic CrII/CrIII intermediates demonstrates that only the mechanism involving mononuclear cationic CrII/CrIV intermediates can correctly explain the observed product selectivity.
Insight into the Nature of Active Species of Pt/Al2O3 Catalysts for low Temperature NH3 Oxidation
Authors: Svintsitskiy Dmitry A. , Kibis Lidiya S. , Stadnichenko Andrey I. , Slavinskaya Elena M. , Romanenko Anatoly V. , Fedorova Elizaveta A. , Stonkus Olga A. , Doronkin Dmitry E. , Marchuk Vasyl , Zimina Anna , Casapu Maria , Grunwaldt Jan‐Dierk , Boronin Andrei I.
Published: October 2019

Two series of Pt/γ‐Al2O3 catalysts for low temperature NH3 oxidation were prepared using Pt(NO3)4 and H2PtCl6 precursors. Using both precursors results in the formation of small Pt particles (d<1.5 nm), however, Cl‐containing Pt precursors give a higher fraction of highly dispersed Pt species. Such species show high stability against thermal or H2 treatment probably due to the presence of a substantial amount of chlorine on the surface. Treatment of the samples prepared from Pt(NO3)4 with H2 leads to the formation of metallic Pt nanoparticles accompanied by the improvement of catalytic activity in NH3 oxidation at T<200 °C. The main products of ammonia oxidation at temperatures below 250 °C were molecular nitrogen and nitrous oxide with the N2 selectivity reaching 80 %. Operando XANES/EXAFS revealed that even after H2 pretreatment at least 40 % of Pt surface remains in oxidized state under reaction conditions resulting in the appearance of N2O as a by‐product.
HFIP‐Promoted de Novo Synthesis of Biologically Relevant Nonnatural α‐Arylated Amino Esters and Dipeptide Mimetics
Authors: Li Zhonghua , Yu Bin
Published: October 2019

Amino acids are fundamental building blocks, which have been extensively used in drug design and organic synthesis. However, nonnatural amino acids are relatively less studied. In this work, the authors report the first HFIP‐promoted de novo synthesis of nonnatural α‐arylated amino esters and dipeptide mimetics (27 examples, up to 99 % yield) from readily available amines, ethyl glyoxylate and electron‐rich arenes under mild conditions, in which one C−C bond, one C−N bond and one chiral center were established simultaneously. The reaction was also performed on a gram scale, giving compound 4 a in 96 % yield. In addition, this protocol was successfully applied to the late‐stage elaboration of drug molecules, such as tranylcypromine (TCP or PCPA) and troxipide. Interestingly, compound 4 h inactivated histone lysine specific demethylase 1 (LSD1) potently with an IC50 value of 0.296 μm. To the best of our knowledge, compound 4 h is the first LSD1 inhibitor derived from nonnatural α‐arylated amino esters, and therefore could be used as a hit compound for the development of new LSD1 inhibitors. The synthesized nonnatural α‐arylated amino esters and dipeptide mimetics as unique building blocks may have potential synthetic utilities.
Catalytic Synthesis of Trifluoromethyl Cyclopropenes and Oligo‐Cyclopropenes
Authors: Tran Uyen P. N. , Hommelsheim Renè , Yang Zhen , Empel Claire , Hock Katharina J. , Nguyen Thanh V. , Koenigs René M.
Published: October 2019

The synthesis of trifluoromethylated cyclopropenes is often associated with important applications in drug discovery and functional materials. In this report, we describe the use of readily available chiral rhodium(II) catalysts for a highly efficient asymmetric cyclopropenation reaction of fluorinated donor–acceptor diazoalkanes with a broad variety of aliphatic and aromatic alkynes. Further studies highlight the unique reactivity of fluorinated donor–acceptor diazoalkanes in the synthesis of oligo‐cyclopropenes. Subsequent C−H functionalization of trifluoromethyl cyclopropenes furnishes densely substituted cyclopropene frameworks and also allows the alternative synthesis of bis‐cyclopropenes.
Experimental methods in chemical engineering: Fourier transform infrared spectroscopy—FTIR
Authors: Guerrero‐Pérez M. Olga , Patience Gregory S.
Published: October 2019

When molecules absorb infrared radiation (IR), their vibrational mode—stretching and bending of the electric dipole—changes to an excited state. Functional groups in organic molecules absorb IR related to their characteristic vibrational modes. A Fourier transform infrared absorption (FTIR) analyzer measures the absorbed IR to identify molecular composition of surfaces, structural and geometric isomers, orientation in polymers and solutions, and quantify impurities. We describe the power of FTIR instruments and their basic operating principles, including the main experimental setups available: transmission, diffuse reflectance (DRIFTS), reflection adsorption infrared spectroscopy (RAIRS), and attenuated total reflection (ATR), including the recent advances related to time‐resolved and operando applications. In catalytic studies, FTIR spectroscopy has demonstrated its versatility over the last several decades to understand reaction mechanisms, measure gas phase composition, and identify active sites. Over 3000 articles include catalysis and FTIR as keywords but 50 000 articles per year mention IR. We generated a bibliometric map of keywords in articles that Web of Science indexed in 2016 and 2017. The map identified four broad clusters of research related to or applying FTIR: nano‐composites, composites, and mechanical properties; nano‐particles, degradation, graphene oxide, and photo‐catalysis; adsorption, aqueous solutions, and waste water; and drug delivery, silver and gold nano‐particles, green synthesis, and antibacterial activity. Together with a synopsis of the principals of IR spectroscopy and a review of the applications, we discuss uncertainties and limitations of the technique.
Improving the Safety of Medicines in the European Union: From Signals to Action
Authors: Potts Joanne , Genov Georgy , Segec Andrej , Raine June , Straus Sabine , Arlett Peter
Published: October 2019

Pharmacovigilance and risk minimization must be planned during drug development and forms a critical part of the regulator's decision on whether a medicinal product can be authorized. Pharmacovigilance systems should ensure proactive monitoring of all authorized medicines throughout their lifecycle in clinical use. Signal detection and management are core activities in pharmacovigilance, rapidly delivering new information on the safety of medicines in real‐world use which helps to fill knowledge gaps. The first 6 years of the European Union (EU) signal management system resulted in 453 recommendations issued by the Pharmacovigilance Risk Assessment Committee (PRAC), of which more than half were for drug labeling changes. The EU pharmacovigilance network has demonstrated its ability to detect and evaluate new drug safety signals. This has resulted in new warnings to guide the safe and effective use of medicines in Europe.
Incontinence and constipation in adolescent patients with anorexia nervosa—Results of a multicenter study from a German web‐based registry for children and adolescents with anorexia nervosa
Authors: Mattheus Hannah K. , Wagner Catharina , Becker Katja , Bühren Katharina , Correll Christoph U. , Egberts Karin M. , Ehrlich Stefan , Fleischhaker Christian , Föcker Manuel , Hahn Freia , Hebebrand Johannes , Herpertz‐Dahlmann Beate , Jaite Charlotte , Jenetzky Ekkehart , Kaess Michael , Legenbauer PhD Tanja , Pfeiffer PhD Jens P. , Renner MD Tobias J. , Roessner Veit , Schulze Ulrike , Sinzig Judith , Wessing Ida , von Gontard Alexander
Published: October 2019

Objective

Nocturnal enuresis (NE), daytime urinary incontinence (DUI), and fecal incontinence (FI) are common disorders in childhood and are frequently accompanied by comorbid psychiatric disorders. Despite a high association between urinary and fecal incontinence with psychiatric and neurodevelopmental disorders, research on comorbidity between incontinence and anorexia nervosa (AN) remains scarce. Yet, it is well known that somatic consequences of AN include metabolic and gastrointestinal disorders. The study sought to assess the prevalence of incontinence and constipation in children and adolescents with AN and to examine associations of these two symptoms with body weight at admission and with BMI changes during inpatient treatment.

Methods

Data collected between 2015 and 2017 by a multicenter German web‐based registry for AN were analyzed. Three hundred and forty‐eight patients with AN (96.3% female, mean age = 15.1 ± 1.8 years) were assessed regarding AN subtype, psychiatric comorbidity, body weight, incontinence, and constipation.

Results

Overall, 27.6% of patients had constipation, 1.8% had NE and 1.8% DUI. Prevalence of constipation did not significantly differ between AN subtypes. Constipation did not lead to any significant differences in weight/BMI changes during inpatient treatment.

Discussion

This is the largest study of incontinence and constipation in patients with AN, so far. Our results indicate that constipation is highly prevalent in adolescent patients with AN and reflects a clinically relevant condition. Despite, patients with AN do not have an increased prevalence of incontinence compared with the general population. Future studies should include medical examinations like ultrasound and physical examination of the lower abdomen to evaluate the severity of constipation.
Evolutionary history predicts high‐impact invasions by herbivorous insects
Authors: Mech Angela M. , Thomas Kathryn A. , Marsico Travis D. , Herms Daniel A. , Allen Craig R. , Ayres Matthew P. , Gandhi Kamal J. K. , Gurevitch Jessica , Havill Nathan P. , Hufbauer Ruth A. , Liebhold Andrew M. , Raffa Kenneth F. , Schulz Ashley N. , Uden Daniel R. , Tobin Patrick C.
Published: October 2019

A long‐standing goal of invasion biology is to identify factors driving highly variable impacts of non‐native species. Although hypotheses exist that emphasize the role of evolutionary history (e.g., enemy release hypothesis & defense‐free space hypothesis), predicting the impact of non‐native herbivorous insects has eluded scientists for over a century.

Using a census of all 58 non‐native conifer‐specialist insects in North America, we quantified the contribution of over 25 factors that could affect the impact they have on their novel hosts, including insect traits (fecundity, voltinism, native range, etc.), host traits (shade tolerance, growth rate, wood density, etc.), and evolutionary relationships (between native and novel hosts and insects).

We discovered that divergence times between native and novel hosts, the shade and drought tolerance of the novel host, and the presence of a coevolved congener on a shared host, were more predictive of impact than the traits of the invading insect. These factors built upon each other to strengthen our ability to predict the risk of a non‐native insect becoming invasive. This research is the first to empirically support historically assumed hypotheses about the importance of evolutionary history as a major driver of impact of non‐native herbivorous insects.

Our novel, integrated model predicts whether a non‐native insect not yet present in North America will have a one in 6.5 to a one in 2,858 chance of causing widespread mortality of a conifer species if established (R2 = 0.91)

Synthesis and applications. With this advancement, the risk to other conifer host species and regions can be assessed, and regulatory and pest management efforts can be more efficiently prioritized.
Ecological correlates of group integrity among dispersing cliff swallows
Authors: Hannebaum Stacey L. , Brown Mary Bomberger , Brown Charles R.
Published: October 2019

Breeding colonies of birds represent groups of individuals that associate during one breeding season, at least partially dissociate for the non‐breeding season, and may re‐associate the next year through collective settlement at another breeding site. Little is known about the extent to which colonial birds maintain group integrity when occupying different sites in different years or the benefits of long‐term associations among colonial individuals. For cliff swallows (Petrochelidon pyrrhonota) in western Nebraska, USA, we examined ecological correlates and potential benefits associated with group integrity. Using a dataset of over 25,000 individuals, we found that associations between dispersing cliff swallows were greater than would be predicted by purely random settlement among colony sites. The extent of group integrity varied widely among sites, with birds seeming to settle together more often at sites with fewer ectoparasites and at colonies similar in size and closer in physical proximity to the one they had previously occupied. Some associations of birds lasted three years in which they used a different site each year. Successful colonies had higher levels of group integrity among their settlers than did colonies that failed completely. Cliff swallows that were known to have settled with at least one conspecific from the previous year's site had a higher survival the next year than those not known to have settled with past residents. The results are consistent with cliff swallows choosing colonies based in part on parasite load and with sorting among colonies based on the birds’ preferences for colonies of certain sizes.
The use of diuretics in heart failure with congestion: we can't judge a book by its cover
Authors: Palazzuoli Alberto , Ruocco Gaetano , Paolillo Stefania , Perrone Filardi Pasquale
Published: October 2019

Although congestion assessment is one of the major challenges in the management of acute heart failure (AHF), no specific Gguidelines have been previously published on this topic. A recent position paper from ESC HF society, focused attention on targeting therapy in relation to clinical congestion. However, in our opinion, the scarce correlation existing between wedge pressure with and traditional clinical signs is the fundamental concern in congestion detection. The two main characteristics of congestion are redistribution of blood volume from the systemic to the pulmonary district and intravascular fluid retention, and both of these are often employed with different significance. Another weakness could come from the varied congestion appearance in relation to the clinical scenario: the different pattern could vary in relation to prevalent cardiac dysfunction ([i.e. heart failure with reduced ejection fraction [(HFrEF]) vs. heart failure with preserved ejection fraction [(HFpEF)]), the Stevenson picture, and the history of recurrent or de novo HF. Thus, it could be worth distinguishing between central and peripheral congestion, in relation to the involved sites and organ damage. Our advice for a more effective diuretic dose is to obtain a better assessment of congestion by an integration between the clinical examination and a diagnostic algorithm taking into account echo and laboratory parameters. Consequently, the use of intravenous diuretics needs to be tailored in relation to the severity of congestion, the oral administration amount, and the different HF profiles.
Solid Contact Nitrate Ion‐selective Electrode Based on Cobalt(II) Complex with 4,7‐Diphenyl‐1,10‐phenanthroline
Authors: Pietrzak Karolina , Wardak Cecylia , Łyszczek Renata
Published: October 2019

Nitrates are a group of compounds widely distributed in the natural environment with many applications in various industries. Due to their ambiguous impact on the human body and suspicions of their carcinogenic activity, they have been very popular for decades and are the subject of research by many scientists in the field of medicine, biology and chemistry. Due to the need to monitor their content in environmental and food samples, various methods for their determination are developed. This paper proposes the use of a nitrate ion‐sensitive ion selective electrode with a membrane containing as the active ingredient a new cobalt(II) complex with 4,7‐diphenyl‐1,10‐phenanthroline (Bphen) of the formula Co(Bphen)2(NO3)2(H2O)2. The obtained sensor showed the theoretical slope of the characteristic curve, a wide measuring range, as well as short response time and very good potential stability. It was successfully used for the determination of nitrates in real samples: in mineral water, tap water and river water from eastern Poland.