bluuebunny/crossref_metadata_2025 huggingface dataset:
Alizarin-based molecular probes for the detection of hydrogen peroxide and peroxynitrite
Authors: Li Minglu , Lei Peng , Song Shengmei , Shuang Shaomin , Dong Chuan
Published: November 2020

Phenol fluorophores are a large family of fluorophores, which have attracted more and more attention in the design of probes.
Computational modeling of dynein motor proteins at work
Authors: Dutta Mandira , Jana Biman
Published: November 2020

Computational modeling of the mechanochemical cycle of dynein motor proteins.
Furan-containing double tetraoxa[7]helicene and its radical cation
Authors: Chang Hao , Liu Haoliang , Dmitrieva Evgenia , Chen Qiang , Ma Ji , He Piao , Liu Pengcai , Popov Alexey A. , Cao Xiao-Yu , Wang Xiao-Ye , Zou Yingping , Narita Akimitsu , Müllen Klaus , Peng Hongjian , Hu Yunbin
Published: November 2020

A furan-based double [7]heterohelicene and its radical cation were achieved with fascinating chiroptical response for the neutral compound.
Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers
Authors: Chen Kai , Hua Zi-Yi , Li Ran , Peng Yu-Ying , Zhu Qiang Zhao , Zhao Jiang-Lin , Redshaw Carl
Published: November 2020

Nine assemblies of Q[6]-based coordination complexes incorporating disulfonate ligands were obtained and two of them were found to have the ability to sense Fe3+via a fluorescence quenching effect.
Proof of principle of a purine D–A–D′ ligand based ratiometric chemical sensor harnessing complexation induced intermolecular PET
Authors: Jovaisaite Justina , Cīrule Dace , Jeminejs Andris , Novosjolova Irina , Turks Māris , Baronas Paulius , Komskis Regimantas , Tumkevicius Sigitas , Jonusauskas Gediminas , Jursenas Saulius
Published: November 2020

A ratiometric fluorescence cation sensor based on an asymmetrically functionalized donor–acceptor–donor′ purine derivative is presented.
β-Conglycinin induces the formation of neutrophil extracellular traps dependent on NADPH oxidase-derived ROS, PAD4, ERK1/2 and p38 signaling pathways in mice
Authors: Liu Xiao , Fu Yunhe , Wang Jingjing , Wu Di , Li Shuangqiu , Wang Chaoqun , Yang Zhengtao , Zhou Ershun
Published: November 2020

Schematic representation of β-conglycinin induced NETosis.
The impact of cation–π, anion–π, and CH–π interactions on the excited-state intramolecular proton transfer of 1,4-dihydroxyanthraquinone
Authors: Shahraki Asiyeh , Ebrahimi Ali , Rezazadeh Shiva , Behazin Roya
Published: November 2020

The impact of ion-πinteractions on the photophysical properties of quinizarin have been investigated using the density functional theory and time-dependent density functional theory at the M06-2X/6-311++G(d,p) level in the gas phase and solution.
Revisiting staining of biological samples for electron microscopy: perspectives for recent research
Authors: Kuchenbrod Maren T. , Schubert Ulrich S. , Heintzmann Rainer , Hoeppener Stephanie
Published: November 2020

This review revisits staining protocols for electron microscopy focussing on the visualization of active sites,i.e.enzymes, metabolites or proteins, in cells and tissues, which were never established as standard protocols in electron microscopy.
Influence of M/A substitution on material properties of intermetallic compounds MSn2(M = Fe, and Co; A = Li, and Na): a first-principles study
Authors: Yu Chol-Jun , Hwang Un-Song , Pak Yong-Chol , Rim Kyonga , Ryu Chol , Mun Chon-Ryong , Jong Un-Gi
Published: November 2020

Structural, elastic, and electronic properties, phonons, and defects of MASn2(M = Fe, and Co; A = Li, and Na) were studied with DFT calculations.
Enzymatic macrocyclization of ribosomally synthesized and posttranslational modified peptidesviaC–S and C–C bond formation
Authors: Lu Jingxia , Li Yuqing , Bai Zengbing , Lv Hongmei , Wang Huan
Published: November 2020

This review article summarizes recent progress in the macrocyclization of ribosomally synthesized and posttranslational modified peptides by C–S and/or C–C bond formation with a focus on the current understanding of the enzymatic mechanisms.
Self-assembled hybrid organic–MoS3-nanoparticle catalyst for light energy conversion
Authors: Krieger A. , Wagner M. , Haschke S. , Kröckel C. , Bachmann J. , Hauke F. , Hirsch A. , Gröhn F.
Published: November 2020

Towards new routes for solar energy conversion: a novel supramolecular catalyst active in aqueous solution consists of amorphous molybdenum sulfide nanoparticles created in a polymer template.
Theoretical investigation of the influence of different electric field directions and strengths on a POM-based dye for dye-sensitized solar cells
Authors: Gao Yu , Guan Wei , Yan Li-Kai , Jia Ran , Su Zhong-Min
Published: November 2020

An inner electric field generated between the electrode and the counter electrode when DSSCs work has an inevitable effect on the conversion efficiency, and it is important to reveal the influence of the electric field direction and strength on the performance of DSSCs.
Pavonite homologues as potential n-type thermoelectric materials: crystal structure and performance
Authors: Qu Shangqing , Zhao Jing , Jiang Zimin , Jiang Dequan , Wang Yonggang
Published: November 2020

The pavonite homologous series assembled from two basic modules is a potential n-type thermoelectric material.
Introducing affinity and selectivity into galectin-targeting nanoparticles with fluorinated glycan ligands
Authors: Richards Sarah-Jane , Keenan Tessa , Vendeville Jean-Baptiste , Wheatley David E. , Chidwick Harriet , Budhadev Darshita , Council Claire E. , Webster Claire S. , Ledru Helene , Baker Alexander N. , Walker Marc , Galan M. Carmen , Linclau Bruno , Fascione Martin A. , Gibson Matthew I.
Published: November 2020

A chemo-enzymatic site-specific fluorination strategy is employed to obtain glyco-nanoparticles with tuneable selectivity towards galectins.
Variability of Stuttering: Behavior and Impact
Authors: Tichenor Seth E. , Yaruss J. Scott
Published: November 2020

Purpose

It has long been known that stuttering behaviors vary across time and situation. Preliminary evidence suggests that this variability negatively affects people who stutter and that stuttering behaviors are more variable than adverse impact associated with stuttering. More information is needed to determine how variability affects people who stutter and what the clinical and research implications of variability may be.

Method

Two hundred and four adults who stutter participated in a mixed-methods study exploring (a) how variability of stuttering affects people who stutter in comparison to other aspects of the condition and (b) which aspects of the overall experience of stuttering are variable.

Results

Analyses indicated that variability is very commonly experienced by people who stutter and that it is among the most frustrating aspects of the condition. Qualitative analyses revealed that variability is experienced in all aspects of the stuttering condition, including the observable behavior other affective, behavioral, and cognitive reactions; and the adverse impact of stuttering. Notable individual differences were found in terms of which specific aspects of the condition were more variable for different respondents. Overall, analyses revealed that the variability of different aspects of stuttering can be viewed in a hierarchy from most variable to least variable:
more external
aspects (e.g., frequency, duration),
more internal
aspects (e.g., covert behaviors, physical tension), and
cognitive–affective
experiences (e.g., negative thoughts, feelings, and self-image).

Discussion

These findings suggest that variability is a common and burdensome aspect of the experience of stuttering and underscore the importance of considering variability in stuttering behavior, reactions, and impact in research, assessment, and treatment for adults who stutter.
Wave-particle energy transfer directly observed in an ion cyclotron wave
Authors: Vech D. , Martinović M. M. , Klein K. G. , Malaspina D. M. , Bowen T. A. , Verniero J. L. , Paulson K. , Dudok de Wit T. , Kasper J. C. , Huang J. , Stevens M. L. , Case A. W. , Korreck K. , Mozer F. S. , Goodrich K. A. , Bale S. D. , Whittlesey P. L. , Livi R. , Larson D. E. , Pulupa M. , Bonnell J. , Harvey P. , Goetz K. , MacDowall R.
Published: November 2020

Context. The first studies with Parker Solar Probe (PSP) data have made significant progress toward understanding of the fundamental properties of ion cyclotron waves in the inner heliosphere. The survey mode particle measurements of PSP, however, did not make it possible to measure the coupling between electromagnetic fields and particles on the time scale of the wave periods.

Aims. We present a novel approach to study wave-particle energy exchange with PSP.

Methods. We used the Flux Angle operation mode of the Solar Probe Cup in conjunction with the electric field measurements and present a case study when the Flux Angle mode measured the direct interaction of the proton velocity distribution with an ion cyclotron wave.

Results. Our results suggest that the energy transfer from fields to particles on the timescale of a cyclotron period is equal to approximately 3–6% of the electromagnetic energy flux. This rate is consistent with the hypothesis that the ion cyclotron wave was locally generated in the solar wind.
Evolution of the Data Quality Monitoring and Prompt Processing System in the proto DUNE-SP experiment
Authors: Potekhin Maxim
Published: November 2020

The DUNE Collaboration currently operates an experimental program based at CERN which includes a beam test and an extended cosmic ray run of two large-scale prototypes of the massive Liquid Argon Time Projection Chamber (LArTPC) for the DUNE Far Detector. The volume of data collected by the single-phase prototype (protoDUNE-SP) amounts to 3PB and the sustained rate of data sent to mass storage isO(100) MB/s. Data Quality Monitoring was implemented by directing a fraction of the data stream to the protoDUNE prompt processing system (p3s) which is optimized for continuous low-latency calculation of the vital detector metrics and various graphics including event displays. It served a crucial role throughout the life cycle of the experiment. We present our experience in leveraging the CERN computing environment and operating the system over an extended period of time, while adapting to evolving requirements and computing platform.
The evolution of the ALICE O2 monitoring system
Authors: Wegrzynek Adam , Vino Gioacchino
Published: November 2020

The ALICE Experiment was designed to study the physics of strongly interacting matter with heavy-ion collisions at the CERN LHC. A major upgrade of the detector and computing model (O2, Offline-Online) is currently ongoing. The ALICE O2 farm will consist of almost 1000 nodes enabled to read out and process on-the-fly about 27 Tb/s of raw data. To efficiently operate the experiment and the O2 facility a new monitoring system was developed. It will provide a complete overview of the overall health, detect performance degradation and component failures by collecting, processing, storing and visualising data from hardware and software sensors and probes. The core of the system is based on Apache Kafka ensuring high throughput, fault-tolerant and metric aggregation, processing with the help of Kafka Streams. In addition, Telegraf provides operating system sensors, InfluxDB is used as a time-series database, Grafana as a visualisation tool. The above tool selection evolved from the initial version where collectD was used instead of Telegraf, and Apache Flume together with Apache Spark instead of Apache Kafka.
System simulations for the ALICE ITS detector upgrade
Authors: Voigt Nesbo Simon , Alme Johan , Bonora Matthias , Giubilato Piero , Helstrup Håvard , Lupi Matteo , Aglieri Rinella Gianluca , Röhrich Dieter , Schambach Joachim , Shahoyan Ruben , Velure Arild
Published: November 2020

The ALICE experiment at the CERN LHC will feature several upgrades for Run 3, one of which is a new Inner Tracking System (ITS). The ITS upgrade is currently under development and commissioning, and will be installed during the ongoing long shutdown 2.

A number of factors will have an impact on the performance and readout efficiency of the ITS in run 3, and to that end, a simulation model of the readout logic in the ALPIDE pixel sensor chips for the ITS was developed, using the SystemC library for system level modeling in C++. This simulation model is three orders of magnitude faster than a normal HDL simulation of the chip and facilitates simulations of an increased number of events for a large portion of the detector.

In this paper, we present simulation results, where we have been able to quantify detector performance under different running conditions. The results are used for system configuration as well as for the ongoing development of the readout electronics.
FullSimLight: ATLAS standalone Geant4 simulation
Authors: Bandieramonte Marilena , Bianchi Riccardo Maria , Boudreau Joseph
Published: November 2020

HEP experiments simulate the detector response by accessing all needed data and services within their own software frameworks. However decoupling the simulation process from the experiment infrastructure can be useful for a number of tasks, amongst them the debugging of new features, or the validation of multi-threaded vs sequential simulation code and the optimization of algorithms for HPCs. The relevant features and data must be extracted from the framework to produce a standalone simulation application.

As an example, the simulation of the detector response of the ATLAS experiment at the LHC is based on the Geant4 toolkit and is fully integrated in the experiment’s framework “Athena”. Recent developments opened the possibility of accessing a full persistent copy of the ATLAS geometry outside of the Athena framework. This is a prerequisite for running ATLAS Geant4 simulation standalone. In this paper we present the status of development of FullSimLight, a lightweight simulation prototype that is being developed with the goal of running ATLAS standalone Geant4 simulation with the actual ATLAS geometry. The purpose of FullSimLight is to simplify studies of Geant4 tracking and physics processes, including tests on novel architectures. We will also address the challenges related to the complexity of ATLAS’s geometry implementation, which precludes make persistent a complete detector description in a way that can be automatically read by standalone Geant4. This lightweight prototype is meant to ease debugging operations on the Geant4 side and to allow early testing of new Geant4 releases. It will also ease optimization studies and R&D activities related to HPC development: i.e. the possibility to offload partially/totally the simulation to GPUs/Accelerators without having to port the whole experimental infrastructure.
WLCG Authorisation from X.509 to Tokens
Authors: Bockelman Brian , Ceccanti Andrea , Collier Ian , Cornwall Linda , Dack Thomas , Guenther Jaroslav , Lassnig Mario , Litmaath Maarten , Millar Paul , Sallé Mischa , Short Hannah , Teheran Jeny , Wartel Romain
Published: November 2020

The WLCG Authorisation Working Group was formed in July 2017 with the objective to understand and meet the needs of a future-looking Authentication and Authorisation Infrastructure (AAI) for WLCG experiments. Much has changed since the early 2000s when X.509 certificates presented the most suitable choice for authorisation within the grid; progress in token based authorisation and identity federation has provided an interesting alternative with notable advantages in usability and compatibility with external (commercial) partners. The need for interoperability in this new model is paramount as infrastructures and research communities become increasingly interdependent. Over the past two years, the working group has made significant steps towards identifying a system to meet the technical needs highlighted by the community during staged requirements gathering activities. Enhancement work has been possible thanks to externally funded projects, allowing existing AAI solutions to be adapted to our needs. A cornerstone of the infrastructure is the reliance on a common token schema in line with evolving standards and best practices, allowing for maximum compatibility and easy cooperation with peer infrastructures and services. We present the work of the group and an analysis of the anticipated changes in authorisation model by moving from X.509 to token based authorisation. A concrete example of token integration in Rucio is presented.
ESCAPE prototypes a data infrastructure for open science
Authors: Bolton Rosie , Campana Simone , Ceccanti Andrea , Espinal Xavier , Fkiaras Aristeidis , Fuhrmann Patrick , Grange Yan
Published: November 2020

The European-funded ESCAPE project will prototype a shared solution to computing challenges in the context of the European Open Science Cloud. It targets Astronomy and Particle Physics facilities and research infrastructures and focuses on developing solutions for handling Exabyte scale datasets. The DIOS work package aims at delivering a Data Infrastructure for Open Science. Such an infrastructure would be a non HEP specific implementation of the data lake concept elaborated in the HSF Community White Paper and endorsed in the WLCG Strategy Document for HL-LHC. The science projects in ESCAPE are in different phases of evolution. While HL-LHC can leverage 15 years of experience of distributed computing in WLCG, other sciences are building now their computing models. This contribution describes the architecture of a shared ecosystem of services fulfilling the needs in terms of data organisation, management and access for the ESCAPE community. The backbone of such a data lake will consist of several storage services operated by the partner institutes and connected through reliable networks. Data management and organisation will be orchestrated through Rucio. A layer of caching and latency hiding services, supporting various access protocols will serve the data to heterogeneous facilities, from conventional Grid sites to HPC centres and Cloud providers. The authentication and authorisation system will be based on tokens. For the success of the project, DIOS will integrate open source solutions which demonstrated reliability and scalability as at the multi petabyte scale. Such services will be configured, deployed and complemented to cover the use cases of the ESCAPE sciences which will be further developed during the project.
Creating a content delivery network for general science on the internet backbone using XCaches
Authors: Fajardo Edgar , Weitzel Derek , Rynge Mats , Zvada Marian , Hicks John , Selmeci Mat , Lin Brian , Paschos Pascal , Bockelman Brian , Hanushevsky Andrew , Würthwein Frank , Sfiligoi Igor
Published: November 2020

A general problem faced by opportunistic users computing on the grid is that delivering cycles is simpler than delivering data to those cycles. In this project XRootD caches are placed on the internet backbone to create a content delivery network. Scientific workflows in the domains of high energy physics, gravitational waves, and others profit from this delivery network to increases CPU efficiency while decreasing network bandwidth use.
ServiceX A Distributed, Caching, Columnar Data Delivery Service
Authors: Galewsky B. , Gardner R. , Gray L. , Neubauer M. , Pivarski J. , Proffitt M. , Vukotic I. , Watts G. , Weinberg M.
Published: November 2020

We will describe a component of the Intelligent Data Delivery Service being developed in collaboration with IRIS-HEP and the LHC experiments. ServiceX is an experiment-agnostic service to enable on-demand data delivery specifically tailored for nearly-interactive vectorized analysis. This work is motivated by the data engineering challenges posed by HL-LHC data volumes and the increasing popularity of python and Spark-based analysis workflows.

ServiceX gives analyzers the ability to query events by dataset metadata. It uses containerized transformations to extract just the data required for the analysis. This operation is colocated with the data to avoid transferring unnecessary branches over the WAN. Simple filtering operations are supported to further reduce the amount of data transferred.

Transformed events are cached in a columnar datastore to accelerate delivery of subsequent similar requests. ServiceX will learn commonly related columns and automatically include them in the transformation to increase the potential for cache hits by other users.

Selected events are streamed to the analysis system using an efficient wire protocol that can be readily consumed by a variety of computational frameworks. This reduces time-to-insight for physics analysis by delegating to ServiceX the complexity of event selection, slimming, reformatting, and streaming.
GPU-based Clustering Algorithm for the CMS High Granularity Calorimeter
Authors: Chen Ziheng , Di Pilato Antonio , Pantaleo Felice , Rovere Marco
Published: November 2020

The future High Luminosity LHC (HL-LHC) is expected to deliver about 5 times higher instantaneous luminosity than the present LHC, resulting in pile-up up to 200 interactions per bunch crossing (PU200). As part of the phase-II upgrade program, the CMS collaboration is developing a new endcap calorimeter system, the High Granularity Calorimeter (HGCAL), featuring highly-segmented hexagonal silicon sensors and scintillators with more than 6 million channels. For each event, the HGCAL clustering algorithm needs to group more than 105 hits into clusters. As consequence of both high pile-up and the high granularity, the HGCAL clustering algorithm is confronted with an unprecedented computing load. CLUE (CLUsters of Energy) is a fast fullyparallelizable density-based clustering algorithm, optimized for high pile-up scenarios in high granularity calorimeters. In this paper, we present both CPU and GPU implementations of CLUE in the application of HGCAL clustering in the CMS Software framework (CMSSW). Comparing with the previous HGCAL clustering algorithm, CLUE on CPU (GPU) in CMSSW is 30x (180x) faster in processing PU200 events while outputting almost the same clustering results.
dCache – Efficient Message Encoding For Inter-Service Communication in dCache: Evaluation of Existing Serialization Protocols as a Replacement for Java Object Serialization
Authors: Morschel Lea , Adeyemi Olufemi , Garonne Vincent , Litvintsev Dmitry , Millar Paul , Mkrtchyan Tigran , Rossi Albert , Sahakyan Marina , Starek Juergen , Yasar Sibel
Published: November 2020

As a well established, large-scale distributed storage system, dCache is used to manage and serve huge amounts of data collected by high energy physics, astrophysics and photon science experiments. Based on a microservices-like architecture, dCache is built as a modular distributed system, where each component provides a different core functionality. These services communicate by passing serialized messages to each other, a core behavior whose performance properties can consequently affect the entire system.

This paper compares and evaluates different data serialization protocols in computer science with the objective of replacing and improving upon Java Object Serialization (JOS), which has increasingly presented itself as no longer being sufficiently performant for encoding messages. The criteria for choosing a new framework are collected, analyzed and formalized. The primary motivation for replacing Java serialization for encoding dCache messages is increasing the general speed of message-passing and thereby reducing the round-trip time for user requests. Emphasis is also placed on schema evolution capabilities and framework usability. Approaches for generalizing (de)serialization speed and size measurements based on data structure complexity are introduced, criteria for measuring documentation, learning curve, maintainability and introduction effort are defined. Finally, several selected serialization protocols are evaluated and compared accordingly, concluding with a recommendation for a suitable JOS replacement.
Design Pattern for Analysis Automation on Distributed Resources using Luigi Analysis Workflows
Authors: Rieger Marcel
Published: November 2020

In particle physics, workflow management systems are primarily used as tailored solutions in dedicated areas such as Monte Carlo event generation. However, physicists performing data analyses are usually required to steer their individual workflows manually, which is time-consuming and often leads to undocumented relations between particular workloads. We present the Luigi Analysis Workflows (Law) Python package, which is based on the opensource pipelining tool Luigi, originally developed by Spotify. It establishes a generic design pattern for analyses of arbitrary scale and complexity, and shifts the focus from executing to defining the analysis logic. Law provides the building blocks to seamlessly integrate interchangeable remote resources without, however, limiting itself to a specific choice of infrastructure. In particular, it encourages and enables the separation of analysis algorithms on the one hand, and run locations, storage locations, and software environments on the other hand. To cope with the sophisticated demands of end-to-end HEP analyses, Law supports job execution on WLCG infrastructure (ARC, gLite) as well as on local computing clusters (HTCondor, LSF), remote file access via most common protocols through the GFAL2 library, and an environment sandboxing mechanism with support for Docker and Singularity containers. Moreover, the novel approach ultimately aims for analysis preservation out-of-the-box. Law is entirely experiment independent and developed open-source. It is successfully used intt̄Hcross section measurements and searches for di-Higgs boson production with the CMS experiment.
Beyond HEP: Photon and accelerator science computing infrastructure at DESY
Authors: Beyer Christoph , Bujack Stefan , Dietrich Stefan , Finnern Thomas , Flemming Martin , Fuhrmann Patrick , Gasthuber Martin , Gellrich Andreas , Guelzow Volker , Hartmann Thomas , Reppin Johannes , Kemp Yves , Lewendel Birgit , Schluenzen Frank , Schuh Michael , Sternberger Sven , Voss Christian , Wengert Markus
Published: November 2020

DESY is one of the largest accelerator laboratories in Europe. It develops and operates state of the art accelerators for fundamental science in the areas of high energy physics, photon science and accelerator development. While for decades high energy physics (HEP) has been the most prominent user of the DESY compute, storage and network infrastructure, various scientific areas as science with photons and accelerator development have caught up and are now dominating the demands on the DESY infrastructure resources, with significant consequences for the IT resource provisioning. In this contribution, we will present an overview of the computational, storage and network resources covering the various physics communities on site.

Ranging from high-throughput computing (HTC) batch-like offline processing in the Grid and the interactive user analyses resources in the National Analysis Factory (NAF) for the HEP community, to the computing needs of accelerator development or of photon sciences such as PETRA III or the European XFEL. Since DESY is involved in these experiments and their data taking, their requirements include fast low-latency online processing for data taking and calibration as well as offline processing, thus high-performance computing (HPC) workloads, that are run on the dedicated Maxwell HPC cluster.

As all communities face significant challenges due to changing environments and increasing data rates in the following years, we will discuss how this will reflect in necessary changes to the computing and storage infrastructures.

We will present DESY compute cloud and container orchestration plans as a basis for infrastructure and platform services. We will show examples of Jupyter notebooks for small scale interactive analysis, as well as its integration into large scale resources such as batch systems or Spark clusters.

To overcome the fragmentation of the various resources for all scientific communities at DESY, we explore how to integrate them into a seamless user experience in an Interdisciplinary Data Analysis Facility.
Machine Learning-based Anomaly Detection of Ganglia Monitoring Data in HEP Data Center
Authors: Chen Juan , Wang Lu , Hu Qingbao
Published: November 2020

This paper introduces a generic and scalable anomaly detection framework. Anomaly detection can improve operation and maintenance eﬃciency and assure experiments can be carried out eﬀectively. The framework facilitates common tasks such as data sample building, retagging and visualization, deviation measurement and performance measurement for machine learning-based anomaly detection methods. The samples we used are sourced from Ganglia monitoring data. There are several anomaly detection methods to handle spatial and temporal anomalies within the framework. Finally, we show the rudimental application of the framework on Lustre distributed file systems in daily operation and maintenance.
Using CMS Open Data for education, outreach and software development
Authors: Wunsch Stefan
Published: November 2020

The CMS collaboration at the CERN LHC has made more than one petabyte of open data available to the public, including large parts of the data which formed the basis for the discovery of the Higgs boson in 2012. Apart from their scientific value, these data can be used not only for education and outreach, but also for software development. However, in their original format, the data cannot be accessed easily without experiment-specific knowledge and skills. Work is presented that allows to set up open analyses that are performed close to the published ones, but which meet minimum requirements for experiment-specific knowledge and software. The suitability of this approach for education and outreach is demonstrated with analyses that have been made fully accessible to the public via the CERN Open Data portal. Further, the value of these data for software development and as basis for benchmarks of analysis software under realistic conditions of a high-energy physics experiment is discussed.
Gyro-devices – natural sources of high-power high-order angular momentum millimeter-wave beams
Authors: Thumm M.
Published: November 2020

The Orbital Angular Momentum (OAM) carried by light beams with helical phasefront (vortex beams) has been widely employed in many applications such as optical tweezers, optical drives of micro-machines, atom trapping, and optical communication. OAM provides an additional dimension (diversity) to multiplexing techniques, which can be utilized in addition to conventional multiplexing methods to achieve higher data rates in wireless communication. OAM beams have been thoroughly studied and used in the optical regime but in the mm-wave and THz-wave region, they are still under investigation. In these frequency bands, there are difficulties associated with beam-splitting and beam-combining processes as well as with the use of spiral phase plates and other methods for OAM generation, since the wavelength is much larger compared to those at optical frequencies, leading to higher diffraction losses.

The present paper describes the natural generation of high-power OAM modes by gyro-type vacuum electron devices with cylindrical interaction circuit and axial output of the generated rotating higher-order transverse electric mode TEm,n, where m > 1 and n are the azimuthal and radial mode index, respectively. The ratio between the total angular momentum (TAM) JN and total energy WN of N photons is given by m/ω, where ω is the angular frequency of the operating mode, which in a gyrotron oscillator is close to the TEm,n-mode cutoff frequency in the cavity. Therefore, m/ω = Rc/c, where Rc is the caustic radius and c the velocity of light in vacuum. This means that the OAM is proportional to the caustic radius and at a given frequency the same for all modes with the same azimuthal index m. Right-hand rotation (co-rotation with the electrons) corresponds to a positive value of m and left-hand rotation to negative m. The corresponding OAM mode number (topological charge) is l = m – 1. Circularly polarized TE1n modes only possess a Spin Angular Momentum (SAM: s = ±1). TE0n modes have neither SAM nor OAM.

This is the result of the photonic (quasi-optical) approach to derive the TAM of modes generated in gyrotrons. The same result follows from the electromagnetic (EM) wave approach for the TAM within a given waveguide volume per total energy of the EM wave in the same volume.

Such high-power output beams with very pure higher-order OAM, generated by gyrotron oscillators or amplifiers (broadband) could be used for multiplexing in long-range wireless communications. The corresponding mode and helical wavefront sensitive detectors for selective OAM-mode sorting are available and described in the present paper.
Antikörper gegen humane Leukozytenantigene (HLA) bei männlichen Apheresespendern ohne klassische Alloimmunisierung
Authors: Schulz Undine
Published: November 2020

Im Rahmen von Präventivmaßnahmen zur Vermeidung von TRALI (transfusionsassoziierte akute Lungeninsuffizienz) wurden in einer Studie 15 523 männliche und weibliche Apheresespenderinnen und -spender mit und ohne positiver Immunisierungsanamnese (IA) auf HLA-Klasse-I-, HLA-Klasse-II- und HNA-Antikörper (AK) untersucht. Unsere Ergebnisse zeigten, dass bei 3,85% der männlichen Spender ohne IA HLA-AK und bei 0,10% HNA-AK auftraten. Diese Beobachtung stellt die seit Beginn der HLA-Ära vor 50 Jahren klar bewiesene Aussage infrage, dass HLA-AK nur durch eine Alloimmunisierung infolge von Schwangerschaften, Transfusionen oder Transplantationen entstehen können. Wir diskutieren mehrere mögliche Kausalitäten dieser positiven Reaktionen:

Große Aufmerksamkeit richteten wir auf den Ausschluss möglicher falsch positiver Reaktionen, da der LABScreen Multi als höchst sensitiv eingeschätzt wird. Nach Validierung eines neuen positiven Normalized-Background-Cut-offs (NBG: Normalized Background) und der Nachtestung von Rückstellproben der als positiv getesteten männlichen Spender konnten 50% der HLA-Klasse-I- und 43% der HLA-Klasse-II-AK nicht bestätigt werden. Dennoch blieben 1,5% der getesteten männlichen Spender für HLA-Klasse I und 0,5% für HLA-Klasse II positiv. Handelt es sich hier ausschließlich um HLA-spezifische oder um heterophile AK? Welche klinische Bedeutung haben diese AK bei der Prävalenz von TRALI oder für die Transplantationsimmunologie?
Neues vom fnb e. V.
Authors: Wiegard-Szramek Ina
Published: November 2020

Eigentlich ist hier der Platz, um unsere Veranstaltungen für 2021 anzukündigen. Der besonderen Situation durch die weltweite Corona-Pandemie geschuldet, hat der fnb e. V. fast alle Veranstaltungen für 2020 abgesagt.
Welche Blutdruckmedikation ist bei Dialysepatienten adäquat?
Authors: van der Giet Markus
Published: November 2020

Beim Eintritt in die HD (Hämodialyse) und PD (Bauchfelldialyse) ist eine kritische und vorsichtige Überprüfung der antihypertensiven Medikation notwendig. Nicht wenige Hämodialyse- bzw. Bauchfelldialysepatienten brauchen zur Blutdrucktherapie verschiedene antihypertensive Medikamente. Keines der bekannten Medikamente wurde systematisch auch für die Therapie bei Nierenfunktionsstörungen entwickelt. Schon viele antihypertensiv wirksame Medikamente wurden nicht für die eingeschränkte Nierenfunktion entwickelt und sind formal z. T. kontraindiziert, auch wenn sie in der Praxis dringend gebraucht und damit auch eingesetzt werden. Die meisten antihypertensiven Medikament kann man in der Tat auch bei Dialysepatienten scheinbar unkompliziert auch von der Dosis her weitergeben, aber man sollte sicherlich die Elimination und Abbauwege überprüfen und ggf. auch die Medikationen regelmäßig anpassen. V. a. mit einem zunehmenden Verlust der renalen Restfunktion und der damit einhergehenden Anurie sollten die Medikamente angepasst werden. Interessant ist, dass die Gabe von nicht so häufig genutzten antihypertensiv wirksamen Substanzen wie Clonidin, Doxazosin oder auch Urapidil ohne relevante Dosiseinschränkung in der Therapie gegeben werden können. Ggf. liegt es aber daran, dass in den letzten Jahren v. a. die neueren antihypertensiven Medikamente aufgrund der pharmakologischen Auflagen intensiver getestet wurden als viele der heute seltener genutzten Antihypertensiva. Ein Ziel sollte sicherlich sein, dass man den Flüssigkeitshaushalt der Patienten gut kontrolliert und ausreichend lange pro Sitzung dialysiert. Daraus ergeben sich gerade in der Hochdrucktherapie einige Vorteile. Hier gilt auch immer die Empfehlung, bei hypertensiven Dialysepatienten systematisch, auch vorübergehend, das Trockengewicht intensiver zu reduzieren.
Neuigkeiten von der EDTNA/ERCA
Authors: Nipshagen Sabine
Published: November 2020

Durch die aktuelle Lage ist die Möglichkeit, Fortbildungen, Konferenzen und Tagungen zu besuchen, stark eingeschränkt. Eine gute Möglichkeit, um auf dem aktuellen Stand zu bleiben, sind Fachverbände und ihr Internetauftritt. Bei der EDTNA/ERCA haben Sie die Möglichkeit, vom Wissen und den Erfahrungen einer weltweiten nephrologischen Gemeinschaft zu profitieren (Abb. 1) – und das für nur 50 Euro pro Jahr.
COVID-19: Besondere Herausforderungen an Public Health in Theorie und Praxis
Authors: Holst Jens
Published: November 2020

Die COVID-19-Krise bietet sowohl einzigartige Chancen als auch besondere Herausforderungen für Public Health in Theorie und Praxis. Das Management der Pandemie war anfangs überwiegend von Virologen dominiert, unterstützt von Epidemiologen, die nicht immer die grundlegenden Anforderungen ihrer Wissenschaft erfüllten. Interdisziplinäre gesundheitswissenschaftliche Fachkenntnisse und komplexe Betrachtungen aus einer breiteren Public-Health-Perspektive hatten hingegen keine spürbaren Auswirkungen auf die COVID-19-Debatte und noch weniger auf die Strategien zur Eindämmung der Pandemie. Public Health ist universell und mehr als Gesundheitssicherheit bzw. Gesundheitsschutz. Als explizit politische Disziplin verfolgt Public Health einen weitreichenden gesellschaftspolitischen Ansatz und darf sich nicht auf biomedizinische Aspekte verkürzen lassen. Medizinische und biotechnologische Lösungen allein werden den Herausforderungen der Corona-Krise nicht gerecht. Unerlässlich für eine nachhaltige Bewältigung der Pandemie ist die Analyse der politischen, wirtschaftlichen, sozialen und ökologischen Determinanten, die zur Krise geführt haben. Um die Gesundheit der Bevölkerung zu verbessern und das Risiko zukünftiger Infektionsausbrüche zu verringern, ist eine umfassende Politik erforderlich, die auch Hegemonien und Machtverhältnisse thematisiert.
Recent Application of Chiral Aryliodine Based on the 2-Iodo­resorcinol Core in Asymmetric Catalysis
Authors: Wang Yang , Wu Zheng-Guang , Yang Bing , Wu Xin-Xing
Published: November 2020

Chiral iodoarenes have been steadily increasing in importance in recent years, especially in enantioselective synthesis and catalysis. Since the development of the concept of chiral iodine(I/III) catalysis, the use of various chiral aryliodine frameworks has been explored in this area. This short review gives an overview of the use of chiral hypervalent iodine(I/III) reagents based on the 2-iodoresorcinol core with two attached two lactic side chains bearing ester or amide groups for the catalytic enantioselective dearomatization of phenol compounds, asymmetric oxidation of alkenes, and enantioselective α-functionalization of carbonyl compounds highlighting the excellent reactivities in terms of yield and enantioselectivity.

1 Introduction

2 Enantioselective Dearomatization of Phenol Derivatives

3 Asymmetric Oxidation of Alkenes

4 Enantioselective α-Functionalization of Carbonyl Compounds

5 Conclusion and Outlook
Diaphragmatic Hernia following Pediatric Liver Transplantation: An Underappreciated Complication Prone to Recur
Authors: Waldron Lea Sibylle , Cerisuelo Miriam Cortes , Lo Denise , Sayed Blayne Amir , Vilca-Melendez Hector , Magliocca Joseph , Lurz Eberhard , Baumann Ulrich , Vondran Florian W. R. , Richter Nicolas , von Schweinitz Dietrich , Guba Markus , Muensterer Oliver J. , Berger Michael
Published: November 2020

Introduction Postoperative diaphragmatic hernia (DH) is a rare but potentially life-threatening complication following pediatric liver transplantation (LT). In the current literature, a total of 49 such hernias have been reported in 17 case series. We present eight additional cases, three of which reoccurred after surgical correction, and review the current literature with a focus on recurrence.

Materials and Methods The study sample included children (<18 years of age) who underwent LT between June 2013 and June 2020 at five large transplant centers and who subsequently presented with DH. During the study period, a total of 907 LT was performed. Eight DH were recognized, and risk factors were analyzed.

Results For the eight children with DH, the mean age at LT was 28.0 (5–132) months. All patients with a DH received left lateral segment split grafts except one, who received a full left lobe. The mean weight at time of LT was 11.8 (6.6–34) kg. Two patients had a primary abdominal muscle closure, and six had a temporary silastic mesh closure. All eight children presented with a right posterolateral DH. The small bowel was herniated in the majority of cases. Symptoms reported included nausea, vomiting, and respiratory distress. Two patients were asymptomatic, and discovery was incidental. All patients underwent prompt primary surgical repair. Three DH hernias (37.5%) recurred despite successful surgical correction.

Conclusion DH following liver transplant with technical variant grafts may be underreported and is prone to recur despite surgical correction. A better understanding of the pathophysiology and more thorough reporting may help increase awareness. Early detection and prompt surgical management are the cornerstones of a successful outcome.
The Differences in Viral Etiologies between Children with and without Severe Disability Admitted to the Pediatric Intensive Care Unit with Acute Respiratory Illness
Authors: Karaarslan Utku , Topal Sevgi , Ayhan Yüce , Ağın Hasan
Published: November 2020

Objectives The objectives of this study were to evaluate the differences in the viral etiologies and variability in the clinical course between children with and without severe disability (SD) admitted to the pediatric intensive care unit (PICU) with acute respiratory illness (ARI).

Methods The medical records of patients admitted to our PICU between June 2017 and July 2019 were retrospectively reviewed for viral etiology and clinical course.

Results Forty-eight of 136 patients included in the study had SD. The rates of requiring positive pressure ventilation (43.5% vs. 20.5%) or inotropic support (39.9% vs. 15.9%), and the median length of stay (11 [10] vs. 5 [8]) were significantly higher in children with SD (p < 0.01, each). Influenza infection was significantly higher in children with SD (20.8% vs. 2.3%; p < 0.01) whereas respiratory syncytial virus (RSV) infection was more common in children without SD (47.7% vs. 4.2%; p < 0.01). There was no statistically significant difference in terms of other viruses between study groups.

Conclusion In this present study, influenza was an important pathogen for children with SD, while RSV was the main cause of ARI-associated PICU admission in children without SD. By focusing on increasing the rate of immunization against influenza in children with SD and their caregivers the burden of influenza-associated PICU admissions could be decreased.
Impact of COVID-19 and Lockdown on Children with ADHD and Their Families—An Online Survey and a Continuity Care Model
Authors: Shah Ruchita , Raju V. Venkatesh , Sharma Akhilesh , Grover Sandeep
Published: November 2020

Background Little is known about the impact of the coronavirus disease 2019 pandemic on children with attention-deficit hyperkinetic disorder (ADHD). This study aimed to assess the impact of lockdown on children with the ADHD, and their families. Additionally, feasibility of carrying out “text message-based” intervention was evaluated.

Methods An online survey was performed to evaluate the impact of lockdown on children with ADHD and their family members. Additionally, a “text message”-based intervention was performed over 2 weeks. Along with the text-based intervention, we also provided reading materials and an option of telephonic consultation.

Results Of the 80 parents who initially consented to participate, 48 filled the baseline survey, and 41 agreed to receive intervention. Out of 41, 29 filled satisfaction survey. During the lockdown period, there was worsening of symptoms of ADHD in the form of increase (slight or marked) in the activity level (50.1%), irritability (45.8%), and disturbing or disruptive behavior (47.7%) in children. In terms of behavior of family members, there was marked/slight increase in irritability (37.5%), and shouting at the child (43.8%), verbal abuse (25%), and punishing the child (27.1%). Additionally, there was an increase in the praising (67.6%) and spending time with the child (72.9%). Text-based messages on a scale of 0 to 10 were rated as 5.79 for the content, 5.76 for the usefulness, and 6 for satisfaction.

Conclusion Lockdown resulted in worsening of symptoms among children of ADHD and it had impact on the interaction pattern of the children and parents. A “text message”-based intervention is a feasible and possibly acceptable option to deal with the behavioral problem of the children and adolescents with ADHD.
Poisson cohomology of plane Poisson structures with isolated singularities revisited
Authors: Qi Zihao , Zhou Guodong
Published: November 2020

Continuing the work of Monnier [Israel J. Math. 129, 189–207 (2002)], we determine the Gerstenhaber algebra structure over the Poisson cohomology groups for a large class of Poisson structures with isolated singularities over the plane. It reveals that there exists a GAGA-type phenomenon. We give an explicit description via generators and relations for the case of simple singularities.
Increasing conservation capacity by embracing ritual: kuahu as a portal to the sacred
Authors: Kealiikanakaoleohaililani Kekuhi , Sato Aimee Y. , Giardina Christian P. , Litton Creighton M. , Ramavarapu Smrity , Hutchins Leslie , Wight Evelyn H. , Clark Michelle , Cordell Susan , Francisco Kainana S. , McMillen Heather , Pascua Pua‘ala , Yogi Darcy
Published: November 2020

E ulu ē E ulu kini o ke Akua Ulu a‘e ‘o Kāne me Kanaloa Ulu ka ‘Ōhi‘a a lau ka wai Ka ‘Ie‘ie Ulu a‘e ke Akua a noho i kona kahu Eia ka wai lā He wai ola E ola ia‘u i ke kumu E ola i ke po‘o, ke po‘o pua‘a E ola i ka pae, ka paepae E ola i nā haumana, nā haumana a pau ‘Eli‘eli kapu, ‘eli‘eli noa In this Pule Ho‘oulu (prayer for inspiration), we are calling ourselves and you, the reader, to embrace growth and perpetuation of life’s many sacred manifestations, to honour the guardians of our places and the sources of our knowledge, and affirm the profound responsibility that is conservation management. This chant initiates the process of kuahu, an altar of Native Hawaiian spiritual practice within Hālau ‘Ōhi‘a, a ritual-based stewardship program in Hawai‘i led by Kumu (master teacher, a primary holder and source of knowledge for the community) Kekuhi Kealiikanakaoleohaililani. This paper outlines how the kuahu process has advanced learner capacity to embrace the many sacred dimensions of resource stewardship, thereby transforming conservation biology, and related conservation practices, through Indigenous perspectives. We examine themes evoked during the kuahu process at scales spanning the universal, the regional, and the personal. In doing so, we describe how kuahu practice can serve as a coparticipant, catalyst, and portal to sacred conservation, allowing learners to engage and grow more personal relationships with the environment, our communities, and ourselves.