bluuebunny/crossref_metadata_2025 huggingface dataset:
A bench-stable low-molecular-weight vinyl azide surrogate for a cascade reaction: facile access to novel N-vinyl-1,2,3-triazoles
Authors: Liu Zhenhua , Wang Lianxiao , Yu Tian , Sun Yanan , Chen Huimin , Gao Wen , Tang Bo
Published: August 2020

A novel metal-catalyzed cascade reaction of stable low-molecular-weight vinyl azide surrogate with S-/O-nucleophiles and alkynes was disclosed in a general fashion, thus providing mild and efficient access to various N-vinyl-1,2,3-triazoles bearing new functional groups.
Diastereodivergent aminocatalyzed spirocyclization strategies using 4-alkylideneisoxazol-5-ones and methyl vinyl ketones
Authors: da Silva Amanda F. , Leonarczyk Ives A. , Ferreira Marco A. B. , Jurberg Igor D.
Published: August 2020

Diasterodivergent aminocatalyzed approaches starting from 4-alkylideneisoxazol-5-ones and methyl vinyl ketones have been developed for the synthesis of racemic 6,10-cis-spiroisoxazol-5-ones and highly enantioenriched 6,10-trans-spiroisoxazol-5-ones.
Enhanced carbon and nitrogen removal in an integrated anaerobic/anoxic/aerobic-membrane aerated biofilm reactor system
Authors: Sun Zhiye , Li Mei , Wang Guofeng , Yan Xiaojun , Li Yi , Lan Meichao , Liu Rukang , Li Baoan
Published: August 2020

A pilot-scale anaerobic/anoxic/aerobic-membrane aerated biofilm reactor (A2/O-MABR) system was constructed to enhance carbon and nitrogen removal.
Electrochemical polarization analysis for optimization of external operation parameters in zinc fuel cells
Authors: Sangeetha Thangavel , Yan Wei-Mon , Chen Po-Tuan , Yang Cheng-Jung , Huang K. David
Published: August 2020

Zinc–air flow fuel cells utilizing zinc particles as fuel possess the potential to evolve as efficient distributed grid generators.
Aryldiazoquinoline based multifunctional small molecules for modulating Aβ42aggregation and cholinesterase activity related to Alzheimer's disease
Authors: Rana Monika , Pareek Abhishek , Bhardwaj Shivani , Arya Geeta , Nimesh Surendra , Arya Hemant , Bhatt Tarun K. , Yaragorla Srinivasarao , Sharma Anuj K.
Published: August 2020

Novel series of aryldiazoquinoline multifunctional molecules controls amyloid formation and neuro-protective role by inhibiting esterase enzymes.
One-pot synthesis of formic acid via hydrolysis–oxidation of potato starch in the presence of cesium salts of heteropoly acid catalysts
Authors: Gromov Nikolay V. , Medvedeva Tatiana B. , Rodikova Yulia A. , Babushkin Dmitrii E. , Panchenko Valentina N. , Timofeeva Maria N. , Zhizhina Elena G. , Taran Oxana P. , Parmon Valentin N.
Published: August 2020

Influence of composition of catalysts based on heteropoly acid cesium salts on formic acid production via starch hydrolysis–oxidation was investigated.
Accelerated trypsin autolysis by affinity polymer templates
Authors: Smolin Daniel , Tötsch Niklas , Grad Jean-Noël , Linders Jürgen , Kaschani Farnusch , Kaiser Markus , Kirsch Michael , Hoffmann Daniel , Schrader Thomas
Published: August 2020

Affinity copolymers specifically recognize the trypsin surface and act as templates for multiple protease molecules, leading to drastically accelerated autolysis – an unusual way for highly efficient enzyme inhibition at physiological conditions.
Smart microgels investigated by super-resolution fluorescence microscopy: influence of the monomer structure on the particle morphology
Authors: Wrede Oliver , Bergmann Stephan , Hannappel Yvonne , Hellweg Thomas , Huser Thomas
Published: August 2020

Here, we apply a recently developed superresolution fluorescence microscopy approach using freely diffusing dye molecules to study the network structure of non-NIPAM based microgels. Use of different monomers leads to differences in network density.
Electroconductive and free-shapeable nanocomposite hydrogels with an ultrafast self-healing property and high stretchability performance
Authors: Ren Jie , Zhao Lingling , Zhang Lan , Wang Xuemiao , Li Yan , Yang Wu
Published: August 2020

Conductive self-healing hydrogels as a fascinating class of materials have received much attention in recent years and been widely used in many fields.
Investigation of Rh–titanate (ATiO3) interactions on high-surface-area perovskite thin films prepared by atomic layer deposition
Authors: Lin Chao , Foucher Alexandre C. , Ji Yichen , Stach Eric A. , Gorte Raymond J.
Published: August 2020

Thin, ∼1 nm films of CaTiO3, SrTiO3, and BaTiO3 were deposited onto MgAl2O4 by Atomic Layer Deposition (ALD) and studied as catalyst supports for Rh.
Bioresponsive supramolecular hydrogels for hemostasis, infection control and accelerated dermal wound healing
Authors: Preman Namitha K. , E. S. Sindhu Priya , Prabhu Ashwini , Shaikh Sadiya Bi , C. Vipin , Barki Rashmi R. , Bhandary Yashodhar P. , Rekha P. D. , Johnson Renjith P.
Published: August 2020

Inflammatory pH and physiological temperature-responsive anti-bacterial hydrogel scaffolds for haemostasis and wound healing.
Recent advances in supramolecular block copolymers for biomedical applications
Authors: Yasen Wumaier , Dong Ruijiao , Aini Aliya , Zhu Xinyuan
Published: August 2020

Supramolecular block copolymers with a dynamically reversible nature and hierarchical microphase-separated structures can greatly enrich the library of pharmaceutical carriers and outline future research directions for biological applications.
Customizable and stretchable fibre-shaped electroluminescent devices via mulitcore-shell direct ink writing
Authors: Liu Dongna , Ren Jingbo , Wang Jizhe , Xing Wang , Qian Qilin , Chen Hangyu , Zhou Nanjia
Published: August 2020

A novel multicore-shell direct ink writing is proposed to fabricate stretchable fiber-shaped ACEL devices with tunable architectures and light emissions.
Suppressed anti-inflammatory heat shock response in high-risk COVID-19 patients: lessons from basic research (inclusive bats), light on conceivable therapies
Authors: Heck Thiago Gomes , Ludwig Mirna Stela , Frizzo Matias Nunes , Rasia-Filho Alberto Antonio , Homem de Bittencourt Paulo Ivo
Published: August 2020

The major risk factors to fatal outcome in COVID-19 patients, i.e., elderliness and pre-existing metabolic and cardiovascular diseases (CVD), share in common the characteristic of being chronic degenerative diseases of inflammatory nature associated with defective heat shock response (HSR). The molecular components of the HSR, the principal metabolic pathway leading to the physiological resolution of inflammation, is an anti-inflammatory biochemical pathway that involves molecular chaperones of the heat shock protein (HSP) family during homeostasis-threatening stressful situations (e.g., thermal, oxidative and metabolic stresses). The entry of SARS coronaviruses in target cells, on the other hand, aggravates the already-jeopardized HSR of this specific group of patients. In addition, cellular counterattack against virus involves interferon (IFN)-mediated inflammatory responses. Therefore, individuals with impaired HSR cannot resolve virus-induced inflammatory burst physiologically, being susceptible to exacerbated forms of inflammation, which leads to a fatal “cytokine storm”. Interestingly, some species of bats that are natural reservoirs of zoonotic viruses, including SARS-CoV-2, possess an IFN-based antiviral inflammatory response perpetually activated but do not show any sign of disease or cytokine storm. This is possible because bats present a constitutive HSR that is by far (hundreds of times) more intense and rapid than that of human, being associated with a high core temperature. Similarly in humans, fever is a physiological inducer of HSR while antipyretics, which block the initial phase of inflammation, impair the resolution phase of inflammation through the HSR. These findings offer a rationale for the reevaluation of patient care and fever reduction in SARS, including COVID-19.
Adaptation of a Caregiver-Implemented Naturalistic Communication Intervention for Spanish-Speaking Families of Mexican Immigrant Descent: A Promising Start
Authors: Cycyk Lauren M. , Moore Heather W. , De Anda Stephanie , Huerta Lidia , Méndez Shaundra , Patton Christina , Bourret Camille
Published: August 2020

Purpose

Caregiver-implemented naturalistic communication interventions (CI-NCIs) support the communication abilities of young children with language disorders and enhance the communication behaviors of their caregivers. Yet, few CI-NCIs have been adapted and tested for feasibility with families who speak Spanish at home. This study addresses this gap in the literature by examining the social validity and preliminary outcomes of an adapted CI-NCI program with families who identified as Mexican immigrants and spoke Spanish.

Method

A multiphase cultural adaptation process enhanced the Language and Play Every Day program for Spanish-speaking Mexican immigrant families in the United States. Six families, including eight caregivers and eight toddlers, participated. Caregivers received coaching on the use of language-facilitating strategies within existing home routines. Multiple measures of the social validity of the intervention's goals, procedures, and outcomes were collected. Changes in caregivers' reported confidence, knowledge, and use of language-facilitating strategies and children's receptive and expressive communication were examined to determine preliminary outcomes.

Results

Overall, caregivers perceived many of the intervention's goals, procedures, and outcomes as socially valid and specified aspects of the intervention needing improvement. Caregivers and children showed modest but potentially clinically meaningful gains in their communication skills following the intervention despite wide individual variability.

Conclusions

Given some recommendations to further adapt the intervention, this CI-NCI appears to be feasible for supporting the communication development of children of Spanish-speaking Mexican immigrant descent. Thus, future research on the efficacy of the intervention is warranted.

Supplemental Material

https://doi.org/10.23641/asha.12269081
Beyond Scores: Using Converging Evidence to Determine Speech and Language Services Eligibility for Dual Language Learners
Authors: Castilla-Earls Anny , Bedore Lisa , Rojas Raúl , Fabiano-Smith Leah , Pruitt-Lord Sonja , Restrepo María Adelaida , Peña Elizabeth
Published: August 2020

Purpose

Speech-language pathologists have both a professional and ethical responsibility to provide culturally competent services to dual language learners (DLLs). In this tutorial, we recommend that clinicians use a comprehensive assessment of converging evidence to make diagnostic decisions in DLLs in accordance with the American Speech-Language-Hearing Association's Code of Ethics. The content of this tutorial is most appropriate for Spanish–English DLLs between the ages of 4 and 8 years.

Method

We propose a converging evidence approach, in which one single method is not the deciding factor in making diagnostic decisions regarding the dual language and speech production skills of DLLs. Converging evidence refers to the idea that multiple pieces of assessment data must come together and trend in the same direction to make a diagnostic decision. We recommend gathering assessment data using a combination of language experience questionnaires, bilingual language sample analysis using large-scale reference databases, evaluation of learning potential, and standardized testing. These four assessment methods allow clinicians to examine the child in different contexts to determine their strengths and weakness in communication abilities.

Conclusion

We illustrate the converging evidence framework using two case studies to guide the clinician through the diagnostic decision-making process.
Hybrid detection algorithm for online faulty sensors identification in wireless sensor networks
Authors: Ibrahim Gabr Walaa , Ahmed Mona A. , Salim Omar M.
Published: August 2020

Wireless sensor network (WSN) is a developed wireless network consisting of some connected sensor nodes. The WSN is employed in many fields such as military, industrial, and environmental monitoring applications. These nodes are equipped with sensors for sensing the environmental variables such as temperature, humidity, wind speed, and so on. In most applications, WSN is positioned in remote places and harsh environments, where they are most probably exposed to faults. Hence, faulty sensor identification is one of the most fundamental tasks to be considered in WSN. This study suggests a hybrid methodology based on mutual information change (MIC) and wavelet transform (WT) for faulty sensor identification. The MIC method is suggested to study correlation among sensors, while the WT technique is proposed for self‐sensor detection. WT is suitable for analysing non‐stationary signals into approximation and detail coefficients. The suggested algorithm performance is investigated by applying a real case study at an arbitrary location close to Cairo, Egypt. The results of each method are compared using the true positive rate (TPR), false negative rate, and accuracy measures. Obtained results have shown that combining MIC and WT techniques can achieve a higher TPR and accuracy reach 100% in most fault types.
Vacuum ultraviolet photoabsorption spectroscopy of space-related ices: 1 keV electron irradiation of nitrogen- and oxygen-rich ices
Authors: Ioppolo S. , Kaňuchová Z. , James R. L. , Dawes A. , Jones N. C. , Hoffmann S. V. , Mason N. J. , Strazzulla G.
Published: August 2020

Context. Molecular oxygen, nitrogen, and ozone have been detected on some satellites of Saturn and Jupiter, as well as on comets. They are also expected to be present in ice-grain mantles within star-forming regions. The continuous energetic processing of icy objects in the Solar System induces physical and chemical changes within the ice. Laboratory experiments that simulate energetic processing (ions, photons, and electrons) of ices are therefore essential for interpreting and directing future astronomical observations.

Aims. We provide vacuum ultraviolet (VUV) photoabsorption spectroscopic data of energetically processed nitrogen- and oxygen-rich ices that will help to identify absorption bands and/or spectral slopes observed on icy objects in the Solar System and on ice-grain mantles of the interstellar medium.

Methods. We present VUV photoabsorption spectra of frozen O2 and N2, a 1:1 mixture of both, and a new systematic set of pure and mixed nitrogen oxide ices. Spectra were obtained at 22 K before and after 1 keV electron bombardment of the ice sample. Ices were then annealed to higher temperatures to study their thermal evolution. In addition, Fourier-transform infrared spectroscopy was used as a secondary probe of molecular synthesis to better identify the physical and chemical processes at play.

Results. Our VUV data show that ozone and the azide radical (N3) are observed in our experiments after electron irradiation of pure O2 and N2 ices, respectively. Energetic processing of an O2:N2 = 1:1 ice mixture leads to the formation of ozone along with a series of nitrogen oxides. The electron irradiation of solid nitrogen oxides, pure and in mixtures, induces the formation of new species such as O2, N2, and other nitrogen oxides not present in the initial ice. Results are discussed here in light of their relevance to various astrophysical environments. Finally, we show that VUV spectra of solid NO2 and water can reproduce the observational VUV profile of the cold surface of Enceladus, Dione, and Rhea, strongly suggesting the presence of nitrogen oxides on the surface of the icy Saturn moons.
Chandra X-ray study confirms that the magnetic standard Ap star KQ Vel hosts a neutron star companion
Authors: Oskinova Lidia M. , Ignace Richard , Leto Paolo , Postnov Konstantin A.
Published: August 2020

Context. KQ Vel is a peculiar A0p star with a strong surface magnetic field of about 7.5 kG. It has a slow rotational period of nearly 8 years. Bailey et al. (A&A, 575, A115) detected a binary companion of uncertain nature and suggested that it might be a neutron star or a black hole.

Aims. We analyze X-ray data obtained by the Chandra telescope to ascertain information about the stellar magnetic field and/or interaction between the star and its companion.

Methods. We confirm previous X-ray detections of KQ Vel with a relatively high X-ray luminosity of 2 × 1030 erg s−1. The X-ray spectra suggest the presence of hot gas at > 20 MK and, possibly, of a nonthermal component. The X-ray light curves are variable, but data with better quality are needed to determine a periodicity, if any.

Results. We interpret the X-ray spectra as a combination of two components: the nonthermal emission arising from the aurora on the A0p star, and the hot thermal plasma filling the extended shell that surrounds the “propelling” neutron star.

Conclusions. We explore various alternatives, but a hybrid model involving the stellar magnetosphere along with a hot shell around the propelling neutron star seems most plausible. We speculate that KQ Vel was originally a triple system and that the Ap star is a merger product. We conclude that KQ Vel is an intermediate-mass binary consisting of a strongly magnetic main-sequence star and a neutron star.
The Solar Orbiter mission
Authors: Müller D. , St. Cyr O. C. , Zouganelis I. , Gilbert H. R. , Marsden R. , Nieves-Chinchilla T. , Antonucci E. , Auchère F. , Berghmans D. , Horbury T. S. , Howard R. A. , Krucker S. , Maksimovic M. , Owen C. J. , Rochus P. , Rodriguez-Pacheco J. , Romoli M. , Solanki S. K. , Bruno R. , Carlsson M. , Fludra A. , Harra L. , Hassler D. M. , Livi S. , Louarn P. , Peter H. , Schühle U. , Teriaca L. , del Toro Iniesta J. C. , Wimmer-Schweingruber R. F. , Marsch E. , Velli M. , De Groof A. , Walsh A. , Williams D.
Published: August 2020

Aims.Solar Orbiter, the first mission of ESA’s Cosmic Vision 2015–2025 programme and a mission of international collaboration between ESA and NASA, will explore the Sun and heliosphere from close up and out of the ecliptic plane. It was launched on 10 February 2020 04:03 UTC from Cape Canaveral and aims to address key questions of solar and heliospheric physics pertaining to how the Sun creates and controls the Heliosphere, and why solar activity changes with time. To answer these, the mission carries six remote-sensing instruments to observe the Sun and the solar corona, and four in-situ instruments to measure the solar wind, energetic particles, and electromagnetic fields. In this paper, we describe the science objectives of the mission, and how these will be addressed by the joint observations of the instruments onboard.

Methods.The paper first summarises the mission-level science objectives, followed by an overview of the spacecraft and payload. We report the observables and performance figures of each instrument, as well as the trajectory design. This is followed by a summary of the science operations concept. The paper concludes with a more detailed description of the science objectives.

Results.Solar Orbiter will combine in-situ measurements in the heliosphere with high-resolution remote-sensing observations of the Sun to address fundamental questions of solar and heliospheric physics. The performance of the Solar Orbiter payload meets the requirements derived from the mission’s science objectives. Its science return will be augmented further by coordinated observations with other space missions and ground-based observatories.
The different flavors of extragalactic jets: The role of relativistic flow deceleration
Authors: Rossi P. , Bodo G. , Massaglia S. , Capetti A.
Published: August 2020

We perform three-dimensional numerical simulations of relativistic (with a Lorentz factor of 10), non-magnetized jets propagating in a uniform density environment in order to study the effect of the entrainment and the consequent deceleration. Our simulations investigate the jet propagation inside the galaxy core, where the deceleration most likely occurs more efficiently. We compare cases with different density and pressure ratios with respect to the ambient medium and find that low density jets are efficiently decelerated and reach a quasi-steady state in which, over a length of 600 jet radii, they slow down from highly relativistic to sub-relativistic velocities. Conversely, denser jets keep highly relativistic velocities over the same length. We discuss these results in relation to the Faranoff Riley (FR) radio source classification. We infer that lower density jets can give rise to FR 0 and FR I radio sources, while higher density jets may be connected to FR II radio sources.
The impact of stellar rotation on the black hole mass-gap from pair-instability supernovae
Authors: Marchant Pablo , Moriya Takashi J.
Published: August 2020

Models of pair-instability supernovae (PISNe) predict a gap in black hole (BH) masses between ∼45 M⊙ and 120 M⊙, which is referred to as the upper BH mass-gap. With the advent of gravitational-wave astrophysics, it has become possible to test this prediction, and there is an important associated effort to understand which theoretical uncertainties modify the boundaries of this gap. In this work we study the impact of rotation on the hydrodynamics of PISNe, which leave no compact remnant, as well as the evolution of pulsational-PISNe (PPISNe), which undergo thermonuclear eruptions before forming a compact object. We perform simulations of nonrotating and rapidly rotating stripped helium stars in a metal-poor environment (Z⊙/50) in order to resolve the lower edge of the upper mass-gap. We find that the outcome of our simulations is dependent on the efficiency of angular momentum transport: models that include efficient coupling through the Spruit-Tayler dynamo shift the lower edge of the mass-gap upward by ∼4%, while simulations that do not include this effect shift it upward by ∼15%. From this, we expect that the lower edge of the upper mass-gap is dependent on BH spin, which can be tested as the number of observed BH mergers increases. Moreover, we show that stars undergoing PPISNe have extended envelopes (R ∼ 10 − 1000 R⊙) at iron-core collapse, making them promising progenitors for ultra-long gamma-ray bursts.
Genetic diversity, chemical composition and oil characteristics of six sesame genotypes
Authors: Zahran Hamdy A. , Abd-Elsaber Ahmed , Tawfeuk Hesham Z.
Published: August 2020

The nutritional factors and characteristics of sesame (Sesame indicum L.) seeds and extracted oil of six genotypes: G2, G3, G4, G5 and G6 cultivated in Upper Egypt were subjected to comparative evaluation with control (G1), for its genetic diversity, physicochemical properties, fatty acid composition, antioxidant activity and oil oxidative stability (Rancimat test). Estimates of genotypic and phenotypic coefficients of variation revealed high value in seed yield. For heritability estimates, the data showed that four traits out of eight recorded the highest heritability values over of 90%. These traits were oil yield (99.56%), seed yield (98.83%), plant height (96.33%) and seed index (90.03%). Sesame seeds have a high oil content (39.56 to 54.64 g/100g dry weight). The fatty acid profile was varied among the genotypes, in particular oleic acid (37.15 to 46.61%) and linoleic acid (37.49 to 44.33%). Results indicated that G4 has significantly higher in most agricultural traits as well as seed yield, while the G5 was the highest in oil yield and has significantly higher oxidative stability (26.57 h) among the genotypes.
Theoretical developments in balance model and models with virtual weight restrictions
Authors: Rajabi Tanha Masoumeh , Alirezaee Mohammadreza
Published: August 2020

The balance model (BM) is a unit invariant model in which takes into account the imposed strategies for DMUs through adding some balance constraints to the basic DEA models in general and the CCR model in particular. Also, balance factor is calculated along with efficiency, effectiveness and similar concepts. The mentioned balance constraints belong to the virtual weight restrictions (VWRs) category. However, to date, the consequences of incorporating weight restrictions (e.g. absolute weight restrictions, assurance regions type I (ARI), assurance regions type II (ARII)) within the classical DEA models have been explored by scholars, but are not considered for virtual weight restrictions. This paper analyses properties of the balance model and subsequently the models with VWRs by an illustrative example. The results show that models with such restrictions correctly maximize the relative efficiency (RE) of the assessed DMU despite the fact that none of the DMUs might be fully efficient (i.e. with efficiency score of 1). In addition, feasibility conditions are discussed. Finally, the proposed method will be applied to assess the branches of a specialized bank of Iran as a real application.
Early low complication rate of ceramic-on-ceramic total hip arthroplasty by direct anterior approach
Authors: Henri Bauwens Paul , Fary Camdon , Servien Elvire , Lustig Sébastien , Batailler Cécile
Published: August 2020

Introduction: Ceramic-on-ceramic couplings are an alternative bearing surface to reduce the problems related to polyethylene wear and debris. However, ceramic articulations have their own risk of unique complications: fracture, squeaking, or dislocation. Few studies have assessed the outcomes of ceramic-on-ceramic total hip arthroplasties (THA) by direct anterior approach (DAA). The aim was to evaluate the early complications and revision rate of ceramic-on-ceramic THA by DAA.Material: A retrospective single-center study of 116 consecutive THAs was performed by DAA (106 patients) with ceramic-on-ceramic bearing from January 2015 to February 2018 with a minimum 24 months of follow-up. No patients were lost to follow-up. The mean age was of 55.3 years ± 11.3. The same cementless acetabular shell with a Biolox Delta ceramic insert and head were used. The complication and revision rates were collected at the last follow-up. The positioning of the acetabular implant was assessed on standard radiographs. Postoperative clinical outcomes were assessed by the Harris Hip Score.Results: At a mean follow-up of 31.9 months ± 5.5, no THA was revised. Five patients had late complications: 3 squeaking (2.6%) and 2 psoas impingements (1.7%) and were managed conservatively. All patients had satisfactory bony ingrowth of acetabular component, with no radiolucent lines and no osteolysis. Eight patients (6.9%) had an anterior overhang of the cup. The mean overhang for these patients was 4.1 mm. 111 hips (96%) were perceived as forgotten or having no limitations.Conclusion: This ceramic-on-ceramic coupling and shell by DAA produced excellent clinical outcomes and implant survival rate at a minimum two-year follow-up study. No serious complication was observed during the follow-up.
Die Rolle der Frau in der Medizin
Authors: von Einsiedel Regina
Published: August 2020

Gesellschaftspolitisch wird die Chancengleichheit der Frauen in der Medizin propagiert, sie ist 2020 aber immer noch nicht ausreichend umgesetzt. Neben den Genderaspekten und ungleichen Karrierechancen klagen viele Ärztinnen über alltägliche Doppel- oder Mehrfachbelastungen sowie über Barrieren in den verschiedenen Berufs- und Ausbildungsphasen. Entwickeln sich diese Probleme zu individuellen Dauerstressoren, können Befindlichkeitsstörungen, ein Burnout oder eine psychische Störung die Folge sein. Psychische Symptome können die Lebensqualität und Arbeitsfähigkeit der Betroffenen empfindlich einschränken. Die berufsbedingten Krisenherde der Medizinerinnen werden anhand der Literatur dargestellt. Im Fokus steht das präventive und interventionale schematherapiefokussierte Coaching bei berufsbedingtem Burnout als Weg aus der Krise.
Titanocene-Catalyzed Regiodivergent Epoxide Opening – From Desymmetrizing meso-Epoxides to Regiodivergent Arylation of Epoxides
Authors: Gansäuer Andreas , Weißbarth Hendrik , Mühlhaus Felix
Published: August 2020

While SN2 based desymmetrization of meso-epoxides has been extensively researched, the more general regioselective opening of cis-1,2 substituted epoxides via SN2 mechanism remains elusive. This short review outlines, how this limitation could be overcome by parting with SN2 and moving towards a radical-based mechanism. The development and refinement of the titanocene(III)-catalyzed regiodivergent epoxide opening (REO) is described.

1 Introduction to Asymmetric Catalysis

2 From Enantiodivergent to Regiodivergent Epoxide Opening

3 Regiodivergent Arylation of Epoxides

4 Conclusion
A First-Case Report of Pycnodysostosis in an Omani Boy
Authors: Al-Araimi Musallam , Al-Hosni Aliya , Maimani Ashwaq Al
Published: August 2020

Here we reported on the genetic findings of a 9-year-old Omani boy with a rare inherited bone disorder. The patient's clinical features include dysmorphic facial features, short stature, and skeletal abnormalities. Exome sequence of the patient's deoxyribonucleic acid revealed a variant in the cathepsin K gene, which was confirmed by Sanger sequencing. These findings established the diagnosis of pycnodysostosis (PKND). To the best of the authors' knowledge, this case is the first case to be reported in the Gulf Cooperative Region of the novel PKND with molecular confirmation.
Polymorphism of Proteasomal Genes Can Be a Risk Factor for Systemic Autoimmune Diseases in Children
Authors: Bakutenko Ivan Y. , Hileuskaya Irena D. , Nikitchenko Natalia V. , Sechko Elena V. , Tchitchko Alexej M. , Batyan Galina M. , Sukalo Alexander V. , Ryabokon Nadezhda I.
Published: August 2020

The study aimed to assess the involvement of three proteasomal genes, PSMA6, PSMC6, and PSMA3, in autoimmune pathogenesis by analyzing associations between single nucleotide polymorphisms and systemic rheumatic diseases with a different autoimmune component: juvenile idiopathic arthritis (JIA), the juvenile form of systemic lupus erythematosus, and Kawasaki's disease (KD). Our results showed that the PSMA6 (rs1048990) polymorphism can be a risk factor for JIA (false discovery rate q ≤ 0.090), while PSMA3 (rs2348071) has a tendency to be nonspecific and is shared with JIA and other autoimmune diseases, including KD, an illness with very low autoimmune activity and high autoinflammation.
On the resolution of subsurface atomic force microscopy and its implications for subsurface feature sizing
Authors: Piras Daniele , van Neer Paul L. M. J. , Thijssen Rutger M. T. , Sadeghian Hamed
Published: August 2020

Ultrasound atomic force microscopy (AFM) has received considerable interest due to its subsurface imaging capabilities, particularly for nanostructure imaging. The local contact stiffness variation due to the presence of a subsurface feature is the origin of the imaging contrast. Several research studies have demonstrated subsurface imaging capabilities with promising resolution. However, there is limited literature available about the definition of spatial resolution in subsurface AFM. The changes in contact stiffness and their link to the subsurface resolution are not well understood. We propose a quantitative approach to assess the resolution in subsurface AFM imaging. We have investigated the influences of several parameters of interest on the lateral resolution. The quantification of the subsurface feature size can be based on threshold criteria (full width at half maximum and Rayleigh criteria). Simulations and experimental measurements were compared, revealing that the optimal choice of parameter settings for surface topography AFM is suboptimal for subsurface AFM imaging.
Complex-Hamiltonian paraxial description of damped geodesic acoustic modes
Authors: Poli E. , Palermo F. , Bottino A. , Maj O. , Weber H.
Published: August 2020

Geodesic acoustic modes (GAMs) are a fundamental part of turbulence and zonal-flow dynamics in tokamaks. They exhibit simple yet non-trivial dispersive and dissipative properties. In linear numerical simulations, they are often initialized in the form of (e.g., Gaussian) packets that evolve in time. Depending on the parameters, dispersion and damping can act on comparable time scales during the GAM evolution. Wigner-function methods developed in the frame of non-Hermitian quantum mechanics are shown to be applicable to damped geodesic oscillations. In this approach, the standard approximation of “weak damping,” often introduced for the treatment of plasma waves, is not needed. The method requires that the properties of the plasma do not vary significantly across the width of the packet (i.e., in the radial direction), so that a paraxial expansion of the underlying equations around the center of the packet can be applied. For a quadratic Hamiltonian, the equations for the Wigner function governing the packet in the paraxial limit are shown to be equivalent to the equations of paraxial WKB theory (usually applied to the description of high-frequency wave beams in plasmas), with the real Hamiltonian replaced by the corresponding complex one. Analytic solutions are derived in particular cases and shown to agree with the results of global gyrokinetic simulations.
View factor estimation of hot spot velocities in inertial confinement fusion implosions at the National Ignition Facility
Authors: Young C. V. , Masse L. , Casey D. T. , MacGowan B. J. , Landen O. L. , Callahan D. A. , Meezan N. B. , Nora R. , Patel P. K.
Published: August 2020

Inertial confinement fusion (ICF) experiments at the National Ignition Facility suffer from asymmetries in the x-ray drive, which degrade capsule performance compared to expectations for a symmetric one-dimensional implosion. Mode 1, or pole-to-pole, drive asymmetry can reduce confinement and implosion efficiency, driving a bulk motion of the hot spot that is detectable by neutron diagnostics. Understanding and removing sources of mode 1 asymmetry in ICF implosions is important for improving performance, and the three-dimensional nature of the problem makes high-resolution radiation-hydrodynamic modeling extremely computationally expensive. This work describes a reduced order view factor model that calculates the drive asymmetry induced by beam-to-beam variations in laser delivery and Hohlraum diagnostic windows along the equator. The capsule response is estimated by coupling to a Green's function that relates final hot spot velocity to the applied time-varying mode 1 asymmetry. The model makes several predictions about the impact of mode 1 drivers such as laser delivery and target misalignment and achieves good agreement in both the magnitude and the vector direction for several shots in three families of high-performance platforms. However, notable discrepancies suggest that other potential sources of mode 1 asymmetry not captured by the model are also at play.
Propagation of multi-burst streamer in the hot gas channel
Authors: Chen Chien-Kuan , Chu Hong-Yu
Published: August 2020

We report the evolution of multi-burst filamentary streamer discharge generated by a Tesla coil power in normal air. The multi-burst discharge shows a self-similar pattern from successive branching discharge. The upstream streamer is also observed in the experiment with a floating electrode. The trajectory of the streamer produced in the second wave packet follows the pathway of the streamer produced in the first wave packet. The expanding speeds of the second burst streamers are found to be faster than the speeds of the first burst streamers. We show that the second (and the following) burst streamer propagates inside the hot gas channel generated by the first (and the previous) burst streamer. The rotational temperature of the nitrogen molecules in the hot gas channel generated by the streamer in the first wave packet was measured by the optical spectrum method. By interrupting the hot gas channel, the presence of the hot gas channel is found to be crucial for the propagation of the following burst streamer.
Modeling and simulation of the influence of contact structure on the characteristics of high current vacuum arc plasma
Authors: Zhao Lihua , Zhu Haiyi , Gou Hangyuan , Ren Junwen , Wang Zhong , Ning Wenjun , Wang Lijun , Huang Xiaolong
Published: August 2020

With the advantages of environmental protection, small size, and light weight, the vacuum circuit breaker has been widely used in power systems. At present, it is developing toward the direction of high voltage and high current. In this paper, the magnetic field simulation model of a cup-shaped axial magnetic contact system is established, and the actual magnetic field data in the arc area are obtained as the boundary conditions, and then a three-dimensional steady-state magnetohydrodynamic model of the vacuum arc is established. The plasma parameter distribution characteristics in the vacuum arc area are studied by changing the number of slots in the contact plate, the angle of the contact cup chute, the length of the slot in the contact plate, and the central process hole. On this basis, a new type of embedded axial magnetic contact system including an embedded magnetic ring and a reverse contact cup is proposed, and the influence of changing the angle and number of inclined slots of the embedded contact cup on the arc distribution characteristics at the peak current and current zero is further studied. The simulation results show that the new structure contact is helpful to the breaking capacity of the vacuum switch and has a guiding significance for the design of the vacuum circuit breaker. By comparison, our simulation results have the same trend with the experimental results of other researchers.
Numerical investigation of the bevelled effects on shock structure and screech noise in planar supersonic jets
Authors: Ye Chuang-Chao , Zhang Peng-Jun-Yi , Wan Zhen-Hua , Sun De-Jun , Lu Xi-Yun
Published: August 2020

Rectangular supersonic jets exist widely in propulsion systems of aircrafts. When they are imperfectly expanded under certain conditions, the upstream traveling waves referred to as screech tones will be produced, which may cause structural fatigue failure. In this work, high fidelity simulations are employed to investigate the bevelled effects due to the asymmetric lips of nozzles on shock structures and screech noise in planar supersonic jets. The present results are in agreement with previous experimental and numerical data for the symmetric case. For asymmetric cases, it is found that the bevelled effects will affect the shear layer transition, noise radiation, and shock cell oscillations. The level of screech noise generally decreases with increasing the length difference of two lips. The maximum 7.9 dB drop is identified, and the deflection angle of the mainstream of 9.35° is achieved when this length difference reaches the height of the nozzle. Moreover, dynamic mode decomposition (DMD) is specifically utilized to analyze shock cell oscillations. The results show that the bevelled effects suppress the most energetic DMD mode, corresponding to the dominant frequency of shock screech. The phenomenon of shock leakage is detected in the symmetric case, which is assumed to be an important screech noise source, while it seems to be weakened when the nozzle is bevelled. The longitudinal flapping motion of shock cells is substantially weakened due to the bevelled effects, which might be responsible for the suppression of shock leakage and the screech noise reduction.
Hybrid MC/MD for protein design
Authors: Michael Eleni , Polydorides Savvas , Simonson Thomas , Archontis Georgios
Published: August 2020

Computational protein design relies on simulations of a protein structure, where selected amino acids can mutate randomly, and mutations are selected to enhance a target property, such as stability. Often, the protein backbone is held fixed and its degrees of freedom are modeled implicitly to reduce the complexity of the conformational space. We present a hybrid method where short molecular dynamics (MD) segments are used to explore conformations and alternate with Monte Carlo (MC) moves that apply mutations to side chains. The backbone is fully flexible during MD. As a test, we computed side chain acid/base constants or pKa’s in five proteins. This problem can be considered a special case of protein design, with protonation/deprotonation playing the role of mutations. The solvent was modeled as a dielectric continuum. Due to cost, in each protein we allowed just one side chain position to change its protonation state and the other position to change its type or mutate. The pKa’s were computed with a standard method that scans a range of pH values and with a new method that uses adaptive landscape flattening (ALF) to sample all protonation states in a single simulation. The hybrid method gave notably better accuracy than standard, fixed-backbone MC. ALF decreased the computational cost a factor of 13.
Photophysical characterization of new osmium (II) photocatalysts for hydrohalic acid splitting
Authors: Wehlin Sara A. M. , Troian-Gautier Ludovic , Maurer Andrew B. , Brennaman M. Kyle , Meyer Gerald J.
Published: August 2020

Two osmium(II) photocatalysts bearing a dicationic 4,4′-bis-(trimethylaminomethyl)-2,2′-bipyridine (tmam) ligand and 2,2′-bipyridine {[Os(bpy)2(tmam)]4+} or 4,4′-(CF3)2-2,2′-bipyridine {[Os((CF3)2bpy)2(tmam)]4+} ancillary ligands were synthesized and characterized for application in HX splitting. Iodide titration studies in acetone solutions provided evidence for an in situ formed terionic complex with two iodide ions as evidenced by 1H NMR and UV-visible absorption spectroscopies, as well as by density functional theory calculations and natural bond order analysis. The photocatalyst [Os(bpy)2(tmam)]4+ was shown to be inefficient in iodide oxidation. In contrast, visible light excitation of [Os((CF3)2bpy)2(tmam)]4+ led to rapid iodide oxidation, kq = 2.8 × 1011 M−1 s−1. The data reveal that Os(II) photocatalysts can be fine-tuned for application in HX splitting.
Periodic bunches produced by electron beam squeezed states in a resonant cavity
Authors: Siman-Tov M. , Leopold J. G. , Bliokh Y. P. , Krasik Ya. E.
Published: August 2020

We have carried out experiments with a squeezed state of a magnetized high current electron beam, which produces a high-frequency, ∼200 MHz periodic train of tens of amperes electron bunches. The results of particle in cell simulations confirm the formation of a squeezed state and electron bunch generation. However, the frequency of modulation in simulations was ∼1 GHz. The reasons for this discrepancy are discussed.
NFAT5, which protects against hypertonicity, is activated by that stress via structuring of its intrinsically disordered domain
Authors: Kumar Raj , DuMond Jenna F. , Khan Shagufta H. , Thompson E. Brad , He Yi , Burg Maurice B. , Ferraris Joan D.
Published: August 2020

Significance

NFAT5 mediates protection from adverse effects of hypertonicity. Cells, e.g. kidney, in hypertonic conditions take up salts and protective organic osmolytes. By mechanisms not fully understood, NFAT5 is activated and induces genes including those that code enzymes responsible for synthesizing protective osmolytes. We show that in solution the NFAT5 NTD, which contains one of NFAT5′s three transcription activation domains, undergoes hypertonicity- and/or osmolyte-induced disorder-to-order conformational rearrangement. In its more folded conformation, interaction of NFAT5 NTD with specific proteins is enhanced, including that with high mobility group protein (HMGI-C), which has been shown to protect against apoptosis. These findings suggest that in vivo, increased intracellular ionic strength, coupled with osmolytes, may directly activate NFAT5. They encourage further pursuit of this possibility.
ALKBH5 regulates anti–PD-1 therapy response by modulating lactate and suppressive immune cell accumulation in tumor microenvironment
Authors: Li Na , Kang Yuqi , Wang Lingling , Huff Sarah , Tang Rachel , Hui Hui , Agrawal Kriti , Gonzalez Gwendolyn Michelle , Wang Yinsheng , Patel Sandip Pravin , Rana Tariq M.
Published: August 2020

Significance

N6-methylation of adenosine (m6A) RNA modification plays important roles in development and tumorigenesis. The functions and mechanisms of m6A demethylases during cancer immunotherapy is still unclear. Here we employed melanoma and colon syngeneic mouse models to study the roles of m6A demethylases ALKBH5 and FTO during anti–PD-1 antibody and GVAX vaccination therapy. We found that ALKBH5 knockout in tumor cells enhances efficacy of immunotherapy and prolonged mouse survival. ALKBH5 modulates target gene expression and gene splicing, leading to changes of metabolite contents, such as lactate in tumor microenvironment, which regulates suppressive lymphocytes Treg and myeloid-derived suppressor cell accumulations. Importantly, by using ALKBH5-specific inhibitor, we observed the similar phenotype, indicating future translational application of our findings.
Modeling SHH-driven medulloblastoma with patient iPS cell-derived neural stem cells
Authors: Susanto Evelyn , Marin Navarro Ana , Zhou Leilei , Sundström Anders , van Bree Niek , Stantic Marina , Moslem Mohsen , Tailor Jignesh , Rietdijk Jonne , Zubillaga Veronica , Hübner Jens-Martin , Weishaupt Holger , Wolfsberger Johanna , Alafuzoff Irina , Nordgren Ann , Magnaldo Thierry , Siesjö Peter , Johnsen John Inge , Kool Marcel , Tammimies Kristiina , Darabi Anna , Swartling Fredrik J. , Falk Anna , Wilhelm Margareta
Published: August 2020

Significance

Here we describe and utilize a model of medulloblastoma, a malignancy accounting for 20% of all childhood brain cancers. We used iPS-derived neural stem cells with a familial mutation causing aberrant SHH signaling. We show that these cells, when transplanted into mouse cerebellum, form tumors that mimics SHH-driven medulloblastoma, demonstrating the development of cancer from healthy neural stem cells in vivo. Our results show that reprogramming of somatic cells carrying familial cancer mutations can be used to model the initiation and progression of childhood cancer.
Necroptosis-based CRISPR knockout screen reveals Neuropilin-1 as a critical host factor for early stages of murine cytomegalovirus infection
Authors: Lane Rebecca K. , Guo Hongyan , Fisher Amanda D. , Diep Jonathan , Lai Zhao , Chen Yidong , Upton Jason W. , Carette Jan , Mocarski Edward S. , Kaiser William J.
Published: August 2020

Significance

Human cytomegalovirus (HCMV) is a β-herpesvirus that establishes life-long infection, leaving the risk of persistent reactivation and disease. Inhibition of viral entry into susceptible cells is an attractive strategy to prevent infection. MCMV is a surrogate to model host-pathogen interactions; however, the precise mechanism of MCMV entry remains incomplete. Here, we utilized a pronecroptotic form of MCMV as a strategy to perform a genome-wide forward genetic screen to identify host factors essential for infection. We characterize VEGF receptor Nrp-1 as a novel mediator of MCMV infection required for viral gene expression, replication, and necroptosis induction. Our observations define Nrp-1 as a key cellular factor that facilitates MCMV infection and may be an entry receptor for the virus.
The whale shark genome reveals how genomic and physiological properties scale with body size
Authors: Weber Jessica A. , Park Seung Gu , Luria Victor , Jeon Sungwon , Kim Hak-Min , Jeon Yeonsu , Bhak Youngjune , Jun Je Hun , Kim Sang Wha , Hong Won Hee , Lee Semin , Cho Yun Sung , Karger Amir , Cain John W. , Manica Andrea , Kim Soonok , Kim Jae-Hoon , Edwards Jeremy S. , Bhak Jong , Church George M.
Published: August 2020

Significance

We sequenced and analyzed the genome of the endangered whale shark, the largest fish on Earth, and compared it to the genomes of 84 other species ranging from yeast to humans. We found strong scaling relationships between genomic and physiological features. We posit that these scaling relationships, some of which were remarkably general, mold the genome to integrate metabolic constraints pertaining to body size and ecological variables such as temperature and depth. Unexpectedly, we also found that the size of neural genes is strongly correlated with lifespan in most animals. In the whale shark, large gene size and large neural gene size strongly correlate with lifespan and body mass, suggesting longer gene lengths are linked to longer lifespans.