bluuebunny/crossref_metadata_2025 huggingface dataset:
Copper-catalyzed [4+2] oxidative annulation of α,β-unsaturated ketoxime acetates with ethyl trifluoropyruvate
Authors: Yan Huan , Xu Gaochen , Gu Meng , Zhang Sai , Wu Qinghuan , Meng Jingjing , Zhu Ning , Fang Zheng , Duan Jindian , Guo Kai
Published: May 2022

The copper-catalyzed [4+2] oxidative annulation of α,β-unsaturated ketoxime acetates with ethyl trifluoropyruvate for the synthesis of 2H-1,3-oxazines is described.
Membrane targeting enhances muramyl dipeptide binding to NOD2 and Arf6–GTPase in mammalian cells
Authors: Hespen Charles W. , Zhao Xiaohui , Hang Howard C.
Published: May 2022

Membrane localization of each component strengthens NOD2–MDP–Arf6 binding, demonstrating importance of membrane targeting for future NOD2 agonist design.
Magnetic flux density-determined oriented attachment growth of FePt nanowires
Authors: Wu Chun , Ju Yuping , Chang Ling , Dong Shizhi , Liu Runqing , Wang Kai , Pei Wenli , Wang Qiang
Published: May 2022

Operating the oriented attachment growth (OA-growth) of crystals is one of the key approaches to fabricating one-dimensional nanostructures with excellent performance.
Reversible luminescence tuning behavior in a thermal-stimuli-responsive anthracene-based coordination polymer
Authors: Li Yanli , Li Huijun , Liu Yicheng , Xu Zhouqing
Published: May 2022

A new coordination complex presented a series of structural changes accompanied by photo-fluorescence (PL) changes under different temperature stimuli.
Synthesis of two-dimensional layered double hydroxides: a systematic overview
Authors: Chen Zongkun , Fan Qiqi , Huang Minghua , Cölfen Helmut
Published: May 2022

Typical preparation strategies of layered double hydroxide: top-down approach and bottom-up approach.
Large-area Co(OH)2 nanoflower array films decorated with Ag nanoparticles as sensitive SERS substrates
Authors: Fan Tingting , Ke Yan , Zhang Lijun , Cai Li , Li Zhongbo
Published: May 2022

Large-area three-dimensional (3D) well-ordered Co(OH)2 nanoflower array films decorated with Ag nanoparticles (Ag NPs) with a novel structure were designed as sensitive SERS substrates for trace detection of pesticides.
On the propensity of formation of cyclobutane dimers in face-to-face and face-to-back uracil stacks in solution
Authors: Milovanović Branislav , Novak Jurica , Etinski Mihajlo , Domcke Wolfgang , Došlić Nađa
Published: May 2022

Nonadiabatic molecular dynamics study of stacked uracil-water clusters using the ADC(2) method confirmed low tendency of forming RNA intra-strand cyclobutane dimers while opposite behavior is found for inter-stand mutual orientation of uracils.
Advances in the ocean-3 spectroscopy package
Authors: Vinson John
Published: May 2022

An overview of the ocean code for calculating near-edge X-ray spectroscopy, including X-ray absorption and resonant inelastic X-ray scattering, using the Bethe-Salpeter equation approach.
Evaluating the behaviour of deep eutectic solvent electrolytes on 2D Ca2C MXene anode for the Li-ion batteries
Authors: Ghaed-Sharaf Tahereh , Omidvar Akbar
Published: May 2022

Rechargeable Li-ion batteries (LIBs) are one of the green energy storage devices that have been utilized in large-scale devices.
The impact of the cation alkyl chain length on the wettability of alkylimidazolium-based ionic liquids at the nanoscale
Authors: Costa José C. S. , Alves Alexandre , Bastos Margarida , Santos Luís M. N. B. F.
Published: May 2022

The cation alkyl chain length of imidazolium ionic liquids plays a relevant role in the wetting behaviour on different surfaces. Ionic liquids formed by large non-polar domains have excellent wettability on the Au surface.
Manganese-catalyzed hydrogenation, dehydrogenation, and hydroelementation reactions
Authors: Das Kuhali , Waiba Satyadeep , Jana Akash , Maji Biplab
Published: May 2022

The review summarizes the recent progress on manganese-catalyzed (de)hydrogenation and hydroelementation reactions. It provides a complete and critical analysis of ligand design, reaction pathways, and synthetic applications.
MOF nanoparticles as heterogeneous catalysts for direct amide bond formations
Authors: Abánades Lázaro Isabel , Forgan Ross S. , Cirujano Francisco. G.
Published: May 2022

Ultra-small isoreticular UiO-type metal–organic frameworks (MOFs) with different functionalized and extended linkers are evaluated for catalytic direct amide bond formation.
Preparation, characterization and DFT+U study of the polar Fe3+-based phase Ba5Fe2ZnIn4S15 containing S = 5/2 zigzag chains
Authors: Almoussawi Batoul , Duffort Victor , Arevalo-Lopez Angel M. , Braun Maxime , Djelal Nora , Kabbour Houria
Published: May 2022

The polar chalcogenide phase Ba5Fe2ZnIn4S15 possesses weakly interacting magnetic zig-zag chains made of corner-sharing Fe3+S4 thus forming an AFM S = 5/2 spin chain system. The intrinsic polarization is mostly due to the anionic framework.
Copper(ii) and zinc(ii) complexation withN-ethylene hydroxycyclams and consequences on the macrocyclic backbone configuration
Authors: AlHaddad Nancy , Lelong Evan , Suh Jong-Min , Cordier Marie , Lim Mi Hee , Royal Guy , Platas-Iglesias Carlos , Bernard Hélène , Tripier Raphaël
Published: May 2022

We report a series of four cyclams and cross-bridged cyclams,N-functionalized by one hydroxyethyl arm, which may incorporate additional methyl(s) group(s).
Benchmarking the dynamic luminescence properties and UV stability of B18H22-based materials
Authors: Anderson Kierstyn P. , Hua Ash Sueh , Plumley John B. , Ready Austin D. , Rheingold Arnold L. , Peng Thomas L. , Djurovich Peter I. , Kerestes Christopher , Snyder Neil A. , Andrews Andrew , Caram Justin R. , Spokoyny Alexander M.
Published: May 2022

The dynamic photoluminescence properties, and potential quenching mechanisms, of anti-B18H22, 4,4′-Br2-anti-B18H20, and 4,4′-I2-anti-B18H20 are investigated in solution and polymer films.
Continuous extraction and concentration of secreted metabolites from engineered microbes using membrane technology
Authors: Overmans Sebastian , Ignacz Gergo , Beke Aron K. , Xu Jiajie , Saikaly Pascal E. , Szekely Gyorgy , Lauersen Kyle J.
Published: May 2022

Light-driven engineered microalgal cultivation in photobioreactors coupled with membrane separations of secreted metabolites as next generation sustainable bio-processes.
Photophysical behaviors of a shape-persistent zinc porphyrin organic cage
Authors: Yang Wei , Wang Chen , Liu Kunhui , Liu Chao , Jiang Jianzhuang
Published: May 2022

A pair of chiral zinc porphyrin cages with a monomeric reference have been prepared, and differences in photophysical behaviors have been systematically explored.
Self-healing dynamic bond-based robust polyurethane acrylate hybrid polymers
Authors: Wu Xueqi , Liu Maochen , Zhong Jiang , Zhong Yuting , Rong Jinchuang , Gao Fei , Qiao Yongluo , Shen Liang , He Haifeng
Published: May 2022

Herein, a self-healing hybrid polyurethane acrylate was prepared by solution polymerization of acrylic monomers in the presence of preformed polyurethane chains containing aliphatic disulfide bonds with terminal isocyanate groups.
Solvatomorphism, polymorphism and spin crossover in bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(ii)
Authors: Horniichuk Oleksandr Ye. , Ridier Karl , Molnár Gábor , Kotsyubynsky Volodymyr O. , Shova Sergiu , Amirkhanov Vladimir M. , Gural'skiy Il’ya A. , Salmon Lionel , Bousseksou Azzedine
Published: May 2022

We describe a detailed characterization of the spin crossover bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(ii) complex ([Fe(HB(1,2,3-tz)3)2]) and solvatomorphs obtained by recrystallisation or single crystal to single crystal transformation.
Carbon dioxide enhances sulphur-selective conjugate addition reactions
Authors: Yang Yang , Fischer Niklas Henrik , Oliveira Maria Teresa , Hadaf Gul Barg , Liu Jian , Brock-Nannestad Theis , Diness Frederik , Lee Ji-Woong
Published: May 2022

CO2 promotes selective sulphur modification reactions with various Michael acceptors. High mono-addition selectivity was obtained in protein and peptide modification reactions by preventing multiple-addition reactions of competing nucleophiles.
Recent advances in self-immolative linkers and their applications in polymeric reporting systems
Authors: Gavriel Alexander G. , Sambrook Mark R. , Russell Andrew T. , Hayes Wayne
Published: May 2022

In this review we describe advances in the design of self-immolative linkers and their application in polymeric reporting systems.
Core–shell microgels having zwitterionic hydrogel core and temperature-responsive shell prepared via inverse miniemulsion RAFT polymerization
Authors: Sasaoka Mitsuhide , Kawamura Akifumi , Miyata Takashi
Published: May 2022

The temperature-responsive core–shell microgels comprising PMPC core and side-chain oligo(ethylene glycol) polymer shell were prepared via inverse miniemulsion RAFT polymerization using a water-soluble emulsifier with RAFT agent terminus.
Trends and perspectives in bio- and eco-friendly sustainable nanomaterial delivery systems through biological barriers
Authors: Kim Seongchan , Oh Taegon , Lee Hyojin , Nam Jwa-Min
Published: May 2022

This review summarizes and provides perspectives on the recent efforts towards the greener synthesis and biomedical delivery applications of various nanoparticles with respect to sustainability.
A formal [4 + 1] cycloaddition reaction of Baylis–Hillman bromides with sulfur ylides: facile access to α-alkenyl lactones
Authors: Hua Ting-Bi , Ma Yu-Hong , He Xiao-Yu , Wang Long , Yan Jia-Ying , Yang Qing-Qing
Published: May 2022

A formal [4 + 1] cycloaddition reaction of Baylis–Hillman adducts with sulfur ylides has been developed for the first time.
A facile metal-free one-flask synthesis of multi-substituted furans via a BF3·Et2O mediated formal [4 + 1] reaction of 3-chloro-3-phenyldiazirines and α,β-alkenyl ketones
Authors: Zhang Zixin , Huang Aimin , Ma Lin , Xu Jian-hua , Zhang Min
Published: May 2022

A metal and oxidant free approach to multi-substituted furans from easily accessible 3-chloro-3-phenyldiazirines and α,β-alkenyl ketones in one flask.
Dynamic reversible adhesives based on crosslinking network via Schiff base and Michael addition
Authors: Ren Junyu , Yang Hongxing , Wu Yingchen , Liu Sichen , Ni Kelu , Ran Xin , Zhou Xiaojian , Gao Wei , Du Guanben , Yang Long
Published: May 2022

Schematic diagram of synthetic FPA–PA polymer adhesives, schematic diagram of adhesion strength on different substrates, and adhesion strength with multiple damage cycles for reuse.
The hydroperoxyl antiradical activity of natural hydroxycinnamic acid derivatives in physiological environments: the effects of pH values on rate constants
Authors: Hoa Nguyen Thi , Ngoc Van Le Thi , Vo Quan V.
Published: May 2022

Quantum chemistry calculations suggest that hydroxycinnamic acid derivatives are good natural antioxidants in aqueous solutions.
Energy transfer (EnT) photocatalysis enabled by gold-N-heterocyclic carbene (NHC) complexes
Authors: Martynova Ekaterina A. , Voloshkin Vladislav A. , Guillet Sébastien G. , Bru Francis , Beliš Marek , Van Hecke Kristof , Cazin Catherine S. J. , Nolan Steven P.
Published: May 2022

We present the use of gold sensitizers [Au(SIPr)(Cbz)] (PhotAu 1) and [Au(IPr)(Cbz)] (PhotAu 2) as attractive alternatives to state-of-the-art iridium-based systems.
Active material and interphase structures governing performance in sodium and potassium ion batteries
Authors: Kim Eun Jeong , Kumar P. Ramesh , Gossage Zachary T. , Kubota Kei , Hosaka Tomooki , Tatara Ryoichi , Komaba Shinichi
Published: May 2022

The importance of the active material structure and the interface/interphase between the electrode and electrolyte in enhancing the electrochemical performance of sodium and potassium ion batteries.
Atomic and structural modifications of two-dimensional transition metal dichalcogenides for various advanced applications
Authors: Kirubasankar Balakrishnan , Won Yo Seob , Adofo Laud Anim , Choi Soo Ho , Kim Soo Min , Kim Ki Kang
Published: May 2022

Atomic and structural modification is an effective method for fine tuning the physical and chemical properties of 2D TMDs and their heterostructures, which enables various advanced applications.
Three-dimensional Ni0.85Se@ZnSe nanostructures on carbon cloth for flexible asymmetric battery-type supercapacitors
Authors: Liu Shuling , Wang Rui , Wang Qiuting , Cui Xian , Liu Zeyu
Published: May 2022

Nanostructures of Ni0.85Se@ZnSe with high electrochemical performance were successfully designed and fabricated on carbon cloth by a one-step electrodeposition method.
Role of fatty acid transport protein 4 in metabolic tissues: insights into obesity and fatty liver disease
Authors: Li Huili , Herrmann Thomas , Seeßle Jessica , Liebisch Gerhard , Merle Uta , Stremmel Wolfgang , Chamulitrat Walee
Published: May 2022

Fatty acid (FA) metabolism is a series of processes that provide structural substances, signalling molecules and energy. Ample evidence has shown that FA uptake is mediated by plasma membrane transporters including FA transport proteins (FATPs), caveolin-1, fatty-acid translocase (FAT)/CD36, and fatty-acid binding proteins. Unlike other FA transporters, the functions of FATPs have been controversial because they contain both motifs of FA transport and fatty acyl-CoA synthetase (ACS). The widely distributed FATP4 is not a direct FA transporter but plays a predominant function as an ACS. FATP4 deficiency causes ichthyosis premature syndrome in mice and humans associated with suppression of polar lipids but an increase in neutral lipids including triglycerides (TGs). Such a shift has been extensively characterized in enterocyte-, hepatocyte-, and adipocyte-specific Fatp4-deficient mice. The mutants under obese and non-obese fatty livers induced by different diets persistently show an increase in blood non-esterified free fatty acids and glycerol indicating the lipolysis of TGs. This review also focuses on FATP4 role on regulatory networks and factors that modulate FATP4 expression in metabolic tissues including intestine, liver, muscle, and adipose tissues. Metabolic disorders especially regarding blood lipids by FATP4 deficiency in different cell types are herein discussed. Our results may be applicable to not only patients with FATP4 mutations but also represent a model of dysregulated lipid homeostasis, thus providing mechanistic insights into obesity and development of fatty liver disease.
A study on detection and defence of malicious code under network security over biomedical devices
Authors: Liu Tianqing , Neware Rahul , Bhatt Mohammed Wasim , Shabaz Mohammad
Published: May 2022

With the proliferation of massive varieties and unknown malicious viruses, it is difficult to achieve effective and timely defence by anti‐virus technology with virus signature matching as the core. Hence, the research of malicious code detection and defence is investigated. Firstly, it introduces the defence technology and detection technology. The simulation results show that the default infection probability of the simulation program is 15.1%. The default detection probability is 60.1%, the default number of nodes is 1000, the default time step is 1000 ms, and the default initial infected node is only node 0, that is, only the malicious code on node 0 is activated. After start‐up, the whole P2P starts to run, and the number of infected nodes increases. Finally, all nodes are infected. The infection speed becomes faster and faster. When the number of infected nodes reaches about half, the infection speed begins to slow down.
Veränderungen im Vorstand
Authors: Wiegard-Szramek Ina
Published: May 2022

In den ersten beiden Apriltagen hat der Vorstand des fnb e. V. getagt.
An bewährten Leitplanken orientieren – Ambulante Physiotherapie nach Covid-19-Erkrankung
Authors: Streeck Jesko
Published: May 2022

Nach einer Covid-19-Erkrankung können verschiedene persistierende Beschwerden auftreten. Viele Physios fragen sich, auf was sie in der ambulanten Versorgung dieser Patient*innen achten müssen, welche diagnostischen Instrumente ihnen zur Verfügung stehen und wie sich eine individuelle Therapie gestalten lässt.
Trainingsprinzipien
Authors: Donath Lars , Faude Oliver
Published: May 2022

Training sollte bestimmten Prinzipien folgen. Die Wissenschaft zeigt, dass sie auch in nicht-leistungssportlichen Settings, wie der klinischen Bewegungstherapie, relevant sind und zunehmend gefordert werden. Die Sportwissenschaftler Lars Donath und Oliver Faude haben die wichtigsten Prinzipien einem aktuellen Prüfstand unterzogen.
Toxic Spongiform Leukoencephalopathy After Intravenous Heroin Abuse:
Unusual But Important Differential Diagnosis of Acute Impairment of
Consciousness
Authors: Diefenbach Camilla , Lorenz Christine , Weidauer Stefan
Published: May 2022

Abuse of heroin vapour inhalation known as “chasing the dragon”
is associated with toxic spongiform leukoencephalopathy. However, similar
clinical and imaging findings may occur also after intravenous heroin abuse. We
report on a 32-year-old male suffering from extensive toxic spongiform
leukoencephalopathy after intravenous heroin abuse resulting in acute impairment
of consciousness and a global state of confusion. MRI disclosed broad and nearly
symmetrical diffusion restriction of the supratentorial white matter indicating
cytotoxic oedema. In an emergency setting, differential diagnosis of acute
impairment of consciousness and broad symmetrical white matter lesions in
neuroimaging should also include toxic leukoencephalopathy due to intravenous
heroin application.
Koffein, Schokolade und Adenosin A2A Rezeptorantagonisten in der
Behandlung des Parkinson Syndroms
Authors: Reichmann Heinz
Published: May 2022

Hintergrund Patienten mit einem idiopathischen Parkinson-Syndrom
können offenbar vom Koffeinkonsum profitieren, wie bereits eine Reihe
experimenteller und klinischer Studien belegen.

Methodik Die Übersichtsarbeit untersuchte die vorliegende
Literatur zu Koffein und Parkinson.

Ergebnisse Koffein kann die Blut-Hirn-Schranke durchdringen und
übt seine biologischen Effekte überwiegend durch Antagonisierung
von Adenosin-Rezeptoren aus. Zahlreiche Studien weisen darauf hin, dass Koffein
und seine Derivate Theobromin und Theophylin mit einem reduzierten
Parkinsonrisiko verbunden sind. Koffein und Adenosin-Antagonisten verringern die
Exzitotoxizität durch Glutamat. Evidenz aus Tiermodellen untermauert das
Potential des A2A Rezeptorantagonismus als innovative
Krankheits-verändernde Zielstruktur bei Parkinson

Schlussfolgerung Die vorliegenden Ergebnisse zeigen, dass die Untersuchung
und Synthese von Xanthin-Derivaten sowie deren Analyse in klinischen Studien ein
vielversprechender Ansatz in der Therapie neurodegenerativer Erkrankungen sein
könnten.
Psychosoziale Unterstützung von Menschen mit Colitis ulcerosa
und Reizdarmsyndrom: eine Machbarkeitsstudie zu Bedarf, Fokus und
Durchführbarkeit
Authors: Uhlenbusch Natalie , Manthey Carolin , Nestoriuc Yvonne , Andresen Viola , Lohse Ansgar W. , Löwe Bernd
Published: May 2022

Ziel der Studie Colitis ulcerosa (CU) und Reizdarmsyndrom (RDS) gehen mit
hoher somatischer Symptombelastung, reduzierter Lebensqualität und
psychischen Beschwerden einher. Die subjektive Belastung, der Wunsch vieler
Betroffener und die Beteiligung psychischer Prozesse an der Wahrnehmung der
Symptomatik begründen die Entwicklung psychosozialer
Unterstützungsangebote. Ziel dieser Machbarkeitsstudie war es, Bedarf,
inhaltlichen Fokus und Machbarkeit eines solchen Angebots zu evaluieren.
Betroffene mit CU und RDS wurden parallel eingeschlossen, um
krankheitsspezifische und krankheitsübergreifende Aspekte für
psychosoziale Interventionen zu identifizieren.

Methodik Erwachsene Menschen mit CU oder RDS wurden telefonisch mithilfe
eines standardisierten Interviewleitfadens befragt. Mittels numerischer
Analogskalen sowie offener Fragen wurden Belastungen durch und Umgang mit der
Erkrankung, krankheitsbezogene Erwartungen und Krankheitsangst, Zufriedenheit
mit der Versorgung, Unterstützungs- und Informationsbedarf sowie
Präferenzen hinsichtlich eines Unterstützungsprogramms erfragt.
Deskriptive Kennzahlen zu quantitativen Variablen und diagnosespezifische
Gruppenvergleiche wurden berechnet. Die Antworten zu den offenen Fragen wurden
nah an den Aussagen der Teilnehmenden zusammengefasst und
ausgezählt.

Ergebnisse
n=35 Personen (CU: n=15; RDS: n=20)
nahmen teil (Alter: m=40,8, SD=14,6; 71%
weibl.). Betroffene beider Erkrankungen zeigten ein mittleres Belastungsniveau,
wobei jenes von Personen mit RDS signifikant höher war. Beide Gruppen
berichteten über relevante krankheitsbezogene Ängste, wobei die
Einschränkung durch diese bei RDS-Betroffenen höher war.
Krankheitsbezogene Erwartungen unterschieden sich nicht zwischen den Gruppen.
Patient:innen mit RDS zeigten eine geringe Zufriedenheit mit der Versorgung und
fühlten sich schlechter über ihre Erkrankung informiert als
Betroffene von CU. Beide Gruppen gaben eine hohe Wahrscheinlichkeit an, an einem
psychologischen Unterstützungsprogramm teilzunehmen und benannten
krankheitsbezogene Erwartungen und Krankheitsangst als wichtige Bestandteile
eines solchen.

Diskussion Die Ergebnisse bestätigen den erhöhten Bedarf
und das Interesse an psychosozialer Unterstützung sowie die Relevanz
krankheitsbezogener Erwartungen und Krankheitsangst bei beiden Erkrankungen.
Unterschiede in Symptomwahrnehmung und Bewertung der Versorgung weisen auf die
Notwendigkeit krankheitsspezifischer Elemente in psychosozialen
Unterstützungsangeboten hin.

Schlussfolgerung Die Ergebnisse zeigen den hohen Bedarf an psychosozialer
Unterstützung von Menschen mit CU und RDS und liefern Hinweise auf die
Machbarkeit eines psychosozialen Therapieprogramms.
Psychometrische Eigenschaften einer Kurzskala zur Erfassung von
Alexithymie (SAS-3) in der deutschen
Allgemeinbevölkerung
Authors: Kliem Sören , Zenger Markus , Beller Johannes , Brähler Elmar , Ernst Mareike
Published: May 2022

Ziel der Studie Die Anzahl wissenschaftlicher Untersuchungen der
Alexithymie ist in den letzten Jahrzehnten stark angewachsen, da das Konstrukt
wichtige Implikationen für die psychische Gesundheit hat. Die bisher
verwendeten Inventare sind in der epidemiologischen Forschung, der
Primärversorgung und anderen klinischen Bereichen, in denen Zeit und
Aufwand wichtige Faktoren für Screening und Diagnostik sind, nur von
begrenztem Nutzen. Ziel der vorliegenden Studie war, auf der Grundlage von Items
der autorisierten deutschen Version der Toronto Alexithymia Scale einen
ultrakurzen Fragebogen zur komprimierten und eindimensionalen Erfassung von
Alexithymie zu entwickeln (die Short Alexithymia Scale; SAS-3).

Methodik Kriterien für die gekürzte Skala waren: (a)
Eindimensionalität (notwendig zur Berechnung eines Summenscores), (b)
ein Item aus jeder der ursprünglich postulierten Dimensionen und (c)
keine invers kodierten Items (zur Vermeidung von Methodenartefakten). Die Daten
stammen aus zwei bundesweiten, repräsentativen deutschen
Bevölkerungsbefragungen: einer Befragung aus dem Jahr 1996 zur
Entwicklung des SAS-3 (N=2,047) und einer Befragung aus dem Jahr 2013
(N=2,508) zur Auswertung und Berechnung der SAS-3 Perzentile.

Ergebnisse Es wurden hypothesenkonforme, substantielle Korrelationen
zwischen SAS-3 und PHQ-2, GAD-2 und GBB-8 festgestellt. Anhand einer
konfirmatorischen Faktorenanalyse konnte die Eindimensionalität der
SAS-3 bestätigt werden, wobei sehr gute Fit-Indizes erreicht wurden.
Eine zusätzliche Messinvarianzanalyse hinsichtlich des Geschlechts und
verschiedener Altersgruppen ergab eine (teilweise) strikte Invarianz für
die verschiedenen Multigruppenanalysen. Perzentilränge des
SAS-3-Summenscore sind nach Geschlecht und Altersgruppen stratifiziert
angegeben.

Schlussfolgerung Die SAS-3 erscheint geeignet für groß
angelegte epidemiologische Forschungsvorhaben, die klinische
(psychotherapeutische) Praxis und andere Kontexte, in denen eine
ökonomische Erhebung der Alexithymie erforderlich ist.
Brain Health und Mental Health: Zwei Seiten einer
Medaille
Authors: Gaebel Wolfgang , Falkai Peter
Published: May 2022

Während die Definition der WHO zur Gesundheit von 1948 1 und die zur Mentalen/Psychischen
Gesundheit 2 von 2004 Allgemeingut im
psychomedizinischen Bereich sind – wenn auch nicht unkritisiert 3 –, ist eine gleichermaßen
offizielle und populäre Definition für Zerebrale oder
„Hirngesundheit“ bisher nicht en vogue. Die deutsche Bezeichnung
wirkt ungewohnt und geht durch das zweimalige Anlauten mit „Ge“ in
„Gehirn-Gesundheit“ etwas holprig über die Lippen und ist
kein gängiger Terminus. „Hirn“ ohne „Ge-“
klingt leicht unwissenschaftlich - wenn schon, dann doch eher gleich anglisiert als
„Brain Health“.
Nephro Fachtagung und Dialyse Basic Day 2022 in Ulm trotz Corona-Pandemie
Authors: Bundschu Marion
Published: May 2022

Die in diesem Jahr wieder durchgeführte Nephro Fachtagung Ulm und der Dialyse Basic Day waren trotz ständiger Umplanungen ein voller Erfolg (Abb. 1). Wir haben für die Tagung extra schönes Wetter bestellt und so konnten alle Pausen im Freien stattfinden. Das erstellte Hygienekonzept wurde von allen Anwesenden angenommen und umgesetzt. Jeder positiv auf COVID-19 getestete oder erkrankte Referent blieb zu Hause und somit musste das Programm täglich aktualisiert werden. Zunächst war bereits Ende Januar die Tagung vollständig ausgebucht. Mit steigenden Infektionszahlen wurde teils storniert und neue Teilnehmer kamen dazu.
Vorhersage schwerer COVID-19-Verläufe anhand einer Kombination von Blut- und Urinwerten
Authors: Albers Bettina
Published: May 2022

Eine deutsche Studie belegt den Nutzen eines diagnostischen Algorithmus, d. h. einer bestimmten, kombinierten Urin- und Blutanalyse, bei der stationären Aufnahme von COVID-19-Patientinnen und -Patienten 1. Anhand dieser „einfachen“ Laborparameter kann der Verlauf einer COVID-19-Erkrankung eingeschätzt und Risikopatientinnen/-patienten können frühzeitig identifiziert werden.
Construction of Successive Stereogenic Centers of ent-Kauranoid through an Oxidative Dearomatization/1,2-Shift Cascade
Authors: Nakada Masahisa , Imamura Yuki , Mizutani Hikaru
Published: May 2022

The construction of the successive stereogenic centers, including an all-carbon quaternary stereogenic center, of ent-kauranoid through an oxidative dearomatization/1,2-shift cascade is described. The developed cascade reaction of a substrate bearing a trans-2-(p-methoxyphenyl)vinyl group as the migrating group afforded the desired product in 83% yield. The 1,2-shift in the cascade is strongly affected by a stereoelectronic effect. The X-ray crystal structure of a compound bearing four successive stereogenic centers in the fused-ring moiety of ent-kauranoid diterpene, which was prepared by the oxidative dearomatization/1,2-shift cascade and subsequent stereoselective transformations, is also reported.
Ultrasound-Assisted Rapid Synthesis of Functionalized 1,2-Teraryls by Ring Transformation Methodology
Authors: Singh Fateh V. , Krishnan Manjula
Published: May 2022

The function of styryl acetate as a carbanion nucleophile source has been explored in the ring transformation reaction of 2H-pyranones. The ultrasound-assisted carbanion-induced ring transformation of 4-amino-6-aryl-3-cyano-2H-pyran-2-ones using (E)-styryl acetate in the presence of KOH and DMF at room temperature is presented as an alternative strategy for the synthesis of functionalized 1,2-teraryls in high yields. This metal-free methodology provides easy access to a series of 1,2-teraryls and features broad functional group tolerance and mild reaction condition. Single crystal X-ray diffraction analysis of 4-(piperidin-1-yl)-6-(thiophen-2-yl)-[1,1′-biphenyl]-3-carbonitrile indicated that the crystal belongs to monoclinic system with a P21 space group having twisted aryl rings.
Dispersion of ICT-related subject terms in information and knowledge management publications: A Bradford analysis
Authors: Onyancha Omwoyo Bosire , Ocholla Dennis N.
Published: May 2022

The application of information and communication technologies (ICTs) in information and knowledge management (IKM) has attracted the attention of library and information Science (LIS) scholars in the recent past. The multidisciplinary and interdisciplinary nature of ICTs means that the ICT literature is published in several fields of knowledge. Although Bradford’s law of dispersion is commonly used to determine the core journals in a given field or discipline or topic of study, this study attempts to use the principles of the law to determine the core concepts of ICTs within the information and knowledge management literature. Data was obtained from EBSCO Discovery’s Library, Information Science and Technology Abstracts (LISTA) and the Library and Information Science Source (LISS) databases using a variety of keywords as search terms. The procedures of conducting a Bradford analysis were followed to determine the core subject terms in ICTs as reflected in the IKM group of articles published between 1998 and 2017. The results indicate that the application of ICTs in IKM largely occurs in the fields medicine, business and commerce, education and training (higher education and training), decision sciences, and industrial management. It was also noted that the core subjects varied from one study period to another; technology-associated subject terms were largely visible; and the dispersion of subject terms fits the Bradford’s dispersion. We however noted that the dispersion of articles according to Bradford’s zones is not accurately representative of the principles of the Law. The study has implications for collection development, searching and retrieval practices, and the application of Bradford’s law beyond the analysis of core journals or publications in not only IKM but also in the field of library and information science.
Isolated terawatt sub-attosecond high-energy x-ray pulse generated by an x-ray free-electron laser
Authors: Shim Chi Hyun , Nam Ki Moon , Parc Yong Woon , Kim Dong Eon
Published: May 2022

The endless quest for dynamics in natural phenomena has resulted in the generation and application of attosecond pulses to trace electron dynamics in atomic and molecular systems. The next challenge is to generate powerful pulses on the zeptosecond time scale, which is currently inaccessible. Through a simulation study, a new type of x-ray source that can generate an isolated terawatt sub-attosecond pulse at high-energy x rays by combining attosecond pulse technology with free-electron laser technology is proposed. The successful generation of a sub-attosecond pulse necessitates the consideration of nanometer-wide current-spikes, the sub-attosecond pulse amplification, and pulse duration and background noise control. The underlying interaction mechanism between a sub-attosecond pulse and a current-spike is closely investigated using the simulation results. The proposed method is expected to produce an isolated ∼700 zs pulse with a peak output of 2.9 TW at a photon energy of 247.5 keV.
Defect-assisted tunneling spectroscopy of electronic band structure in twisted bilayer graphene/hexagonal boron nitride moiré superlattices
Authors: Seo Yuta , Masubuchi Satoru , Onodera Momoko , Moriya Rai , Zhang Yijin , Watanabe Kenji , Taniguchi Takashi , Machida Tomoki
Published: May 2022

We report the demonstration of defect-assisted tunneling spectroscopy of the electronic band structure in twisted bilayer graphene (tBLG)/hexagonal boron nitride (h-BN) moiré superlattices in which the moiré period between the two graphene layers is close to that between the graphene and h-BN layers. We measured both the in-plane and vertical carrier transport in the tBLG/h-BN van der Waals (vdW) tunneling device. The moiré periods were determined from the in-plane carrier transport measurements. The observed vertical tunneling transport characteristics indicated that resonant tunneling occurs from the graphite electrode to tBLG through localized defect states in the h-BN tunnel barrier. We observed multiple defect-assisted resonant tunneling trajectories, from which we derived the density of states (DOS) for tBLG. The obtained DOS has broad flatband features, in qualitative agreement with the theoretical predictions. Furthermore, we obtained three types of DOS, suggesting that we probed local band structures corresponding to AA, AB/BA, and domain wall sites in tBLG. Thus, defect-assisted tunneling spectroscopy has potential as a tool to determine the local band structures in twisted 2D vdW materials.
Epitaxial growth of β-Ga2O3 by hot-wall MOCVD
Authors: Gogova Daniela , Ghezellou Misagh , Tran Dat Q. , Richter Steffen , Papamichail Alexis , Hassan Jawad ul , Persson Axel R. , Persson Per O. Å. , Kordina Olof , Monemar Bo , Hilfiker Matthew , Schubert Mathias , Paskov Plamen P. , Darakchieva Vanya
Published: May 2022

The hot-wall metalorganic chemical vapor deposition (MOCVD) concept, previously shown to enable superior material quality and high performance devices based on wide bandgap semiconductors, such as Ga(Al)N and SiC, has been applied to the epitaxial growth of β-Ga2O3. Epitaxial β-Ga2O3 layers at high growth rates (above 1 μm/h), at low reagent flows, and at reduced growth temperatures (740 °C) are demonstrated. A high crystalline quality epitaxial material on a c-plane sapphire substrate is attained as corroborated by a combination of x-ray diffraction, high-resolution scanning transmission electron microscopy, and spectroscopic ellipsometry measurements. The hot-wall MOCVD process is transferred to homoepitaxy, and single-crystalline homoepitaxial β-Ga2O3 layers are demonstrated with a 2̄01 rocking curve width of 118 arc sec, which is comparable to those of the edge-defined film-fed grown (2̄01) β-Ga2O3 substrates, indicative of similar dislocation densities for epilayers and substrates. Hence, hot-wall MOCVD is proposed as a prospective growth method to be further explored for the fabrication of β-Ga2O3.
Dispersive propagation of trans-ionospheric pulse pairs in ionosphere
Authors: Zhang Y. , Wu H.-C.
Published: May 2022

As the most powerful natural radio waves on earth, trans-ionospheric pulse pairs (TIPPs) are emitted by lightning and have been recorded by several satellites. TIPPs commonly consist of two radio pulses with a clear ionospheric dispersion. Here, we calculate the propagation of TIPPs across the ionosphere by use of a method accurate for sub-cycle radio pulses. One can directly obtain dispersed waveforms in the time domain and then reproduce satellite-recorded frequency spectra. Our work affords a simple and robust tool to directly compare with observation data, which should be helpful to deduce original undispersed waveforms of TIPPs and characteristics of high-energy electrons produced by lightning.
Research on the effects of corrosion resistant zinc injection in primary circuit of large-scale PWR plants on core crud amount
Authors: Sun Weiqiang , Xu Hu , Mo Shuran , Wang Chao , Hu Guang , Hu Huasi
Published: May 2022

In recent years, the number of nuclear plants injecting zinc is increasing worldwide because zinc injection can reduce the corrosion rate of structural materials in the primary coolant circuit. However, at the initial stage of zinc injection, zinc can introduce a large amount of corrosion products entering into the coolant circuit by displacing other divalent species in oxide. These corrosion products will be carried into the core by the coolant and cause unevenness of the crud on fuel cladding surfaces, which can increase the probability of crud induced power shift (CIPS) and damage to fuel claddings. In this paper, the structural material corrosion model with or without zinc injection is built based on a mixed conduction model. The migration model of corrosion products in the primary circuit is established, and the relationship of crud amount with the time is obtained. The mechanism of interactions between zinc and formed oxide layers is analyzed. The extra amount of corrosion products due to zinc injection is calculated according to the different starting times. It is used to revise the crud mass. The influences of zinc injection on the crud amount are achieved, which can be the foundation of further research on the relationship between zinc injection and CIPS.
Computational fluid dynamic simulation of the supersonic CO2 flow during champagne cork popping
Authors: Benidar Abdessamad , Georges Robert , Kulkarni Vinayak , Cordier Daniel , Liger-Belair Gérard
Published: May 2022

Behind the iconic “pop!” accompanying the uncorking of a champagne bottle hides a gas flow of surprising complexity. Its modeling is made delicate by its supersonic nature, its interaction with the cork stopper, the eminently unsteady character of the flow escaping from the bottle, and the continuous change of the geometry of the computational flow domain due to the displacement of the cork. Computational fluid dynamics (CFD) simulations revealed the formation, evolution, and dissipation of shock wave patterns during the first millisecond following champagne cork popping. A first crown-shaped shock wave pattern develops radially, which is then followed by the formation of a detached shock wave, or bow shock, induced by the presence of the cork in the axial path of the supersonic gas flow. Moreover, the good agreement between the position of the bow shock previously observed through high-speed imaging and that determined through CFD simulations argues in favor of the numerical method used to describe the ejection of the gas mixture expelled from the bottleneck immediately after the cork popping process.
An energy level alignment strategy to boost the open-circuit voltage via a Mg:TiO2 compact layer in the planar heterojunction CsPbBr3 solar cells
Authors: Han Xiaopeng , Feng Jianyong , Zhu Zhi , Bao Chunxiong , Huang Huiting , Yu Tao , Feng Shengnan , Wang Xiaoyong , Li Zhaosheng , Zou Zhigang
Published: May 2022

The suitable energy level alignment between the electron transport layer (ETL) and perovskite absorber for facilitating electron extraction and transfer is essential for planar heterojunction perovskite solar cells (PSCs) to achieve high power conversion efficiency (PCE). The planar heterojunction CsPbBr3 PSCs have attracted increasing attention due to their high stability in ambient in which TiO2 is often used as the ETL. Actually, there is a large energy barrier between the conduction bands of TiO2 and CsPbBr3, which limits the open-circuit voltage (VOC) and PCE of PSCs. Herein, we effectively optimized the energy level alignment between CsPbBr3 and TiO2 by tuning the Mg incorporation level in the latter. The Fermi level of TiO2 ETL was gradually shifted upward using Mg incorporation, which led to a favorable band bending between TiO2 and CsPbBr3 and reduced the interfacial band offset. Consequently, the VOC of the devices was effectively increased from 1.36 to 1.49 V, and the corresponding PCE was also increased from 6.87% to 8.76%. This work highlights the importance of the energy level alignment between ETLs and perovskite absorbers for high-performance devices and offers an effective means to address the large energy barrier between the conduction bands of TiO2 and CsPbBr3.
Extracting surface recombination parameters of germanium–dielectric interfaces by corona-lifetime experiments
Authors: Berghuis Wilhelmus J. H. (Willem-Jan) , Helmes Max , Melskens Jimmy , Theeuwes Roel J. , Kessels Wilhelmus M. M. (Erwin) , Macco Bart
Published: May 2022

The interest in germanium (Ge) is rising for use in field-effect transistors, (space) photovoltaics, and silicon photonics. Suppressing and understanding carrier recombination at the Ge surface are vital for the performance of Ge in these applications. In this work, we have investigated the surface recombination at various germanium–dielectric interfaces (Ge/Al2O3, Ge/SiNx, Ge/GeOx/Al2O3, and Ge/a-Si:H/Al2O3). For this purpose, we performed corona-lifetime experiments and extracted a set of recombination parameters by fitting the data with the theoretical Girisch model. To keep the model straightforward, the distributions of the capture cross sections and the interface defect density (Dit) were parameterized. The importance of each parameter in these distributions was examined so that a minimum number of parameters was distilled: the so-called fundamental recombination velocities (Sp0 and Sn0) and the magnitude of the Dit near the valence and conduction band edge (Dit,VB and Dit,CB). These parameters form together with the fixed charge density (Qf), the spatial distribution thereof (σQ), and a minimum surface recombination velocity (Smin), a set of parameters that can well describe our experimental data. Relevant insights were obtained from the experiments, with highlights including a Ge/GeOx/Al2O3 stack with virtually no fixed charge density, a highly passivating Ge/a-Si:H/Al2O3 stack, and a negatively charged Ge/SiNx stack. The findings in this study are valuable for applications where a more profound understanding of recombination at Ge surfaces is of concern, such as in photonics, photovoltaics, and nano-electronics.
Long time fate of two-dimensional incompressible high Reynolds number Navier–Stokes turbulence: A quantitative comparison between theory and simulation
Authors: Biswas Shishir , Ganesh Rajaraman
Published: May 2022

Predicting the long time or late time states of two-dimensional incompressible, high Reynolds number, slowly decaying turbulence has been one of the long-standing problems. Using “point vortices” as “inviscid” building blocks, which do not respect incompressibility, statistical mechanical models conserving only total energy and zero total circulation result in the well-known sinh-Poisson relation between vorticity and stream function. On the other hand, statistical mechanics of “inviscid patch” vortices, which respects incompressibility by conserving regions of zero and nonzero vorticity, predicts a generalized relaxed state, which has never been systematically compared with direct numerical simulations (DNS). In this study, starting from highly packed regions of nonzero initial vorticity, we demonstrate using high resolution, high Reynolds number DNS that the late time states agree with predictions from patch vortex models. As total circulation is reduced or diluted, we show that late time states of our DNS systematically and unambiguously lead to the sinh-Poisson relationship between vorticity and stream function. We believe that our quantitative findings solve one of the long-standing problems in two-dimensional turbulence.
Research on power penetration cable line fault location based on distributed traveling wave location technology
Authors: Mao Xiaopo , Xiang Bin , Tu Suge
Published: May 2022

The power penetration line of high-speed railway adopts all-cable lines, and its failure will seriously affect the safety and reliability of railway transportation. The accurate location of the fault will greatly reduce the range of finding the cable fault point and the workload of cable fault repair, shorten the maintenance time, and improve the reliability of high-speed railway power supply. This paper introduces the current situation of power line fault location, analyzes various traveling wave location principles and the traveling wave transmission and attenuation characteristics of all-cable penetration lines, and analyzes the adaptability of the traditional traveling wave location technology in all-cable penetration line fault location. It is proposed that the distributed traveling wave location method can greatly reduce the transmission distance of fault traveling waves and can effectively reduce the influence of attenuation and distortion in the traveling wave transmission process. For different types of fault traveling waves, different fault transition resistances, and different positions of fault points, the method can achieve the accurate location. The practical application case shows that the technology has high location accuracy and meets the requirements of a precise location.
The “good,” the “bad,” and the “hidden” in neutron scattering and molecular dynamics of ionic aqueous solutions
Authors: Biriukov Denys , Wang Hsiu-Wen , Rampal Nikhil , Tempra Carmelo , Kula Patrik , Neuefeind Joerg C. , Stack Andrew G. , Předota Milan
Published: May 2022

We characterize a concentrated 7.3 m CaCl2 solution, combining neutron diffraction with chloride isotopic substitution (Cl-NDIS) in null water and molecular dynamics (MD) simulations. We elucidate the solution structure, thermodynamic properties, and extent of ion pairing previously suggested as concentration-dependent and often not observed at lower concentrations. Our Cl-NDIS measurements designate the solvent-shared ion pairing as dominant and the contact ion pairing (CIP) as insignificant even under conditions close to the solubility limit. The MD models parameterized against neutron diffraction with calcium isotopic substitution (Ca-NDIS) overestimate CIP despite successfully reproducing most of the Cl-NDIS signal. This drawback originates from the fact that Ca2+–Cl− interactions were primarily “hidden” in the Ca-NDIS signal due to overlapping with Ca2+–Ow and Ca2+–Hw contributions to the total scattering. Contrary, MD models with moderate CIP and possessing generally good performance at high concentrations fail to reproduce the NDIS measurements accurately. Therefore, the electronic polarization, introduced in most of the recent MD models via scaling ionic charges, resolves some but not all parameterization drawbacks. We conclude that despite improving the quality of MD models “on average,” the question “which model is the best” has not been answered but replaced by the question “which model is better for a given research.” An overall “good” model can still be inappropriate or, in some instances, “bad” and, unfortunately, produce erroneous results. The accurate interpretation of several NDIS datasets, complemented by MD simulations, can prevent such mistakes and help identify the strengths, weaknesses, and convenient applications for corresponding computational models.
A numerical study of the coalescence of hollow droplets under solidification
Authors: Vu Truong V. , Nguyen Hiep T. , Ho Nang X.
Published: May 2022

This paper presents the results of numerical simulations of the coalescence and solidification of two hollow droplets. A base droplet (i.e., a pre-solidified droplet) stays on a supercool surface that causes its shell liquid to solidify. An incoming droplet then flows toward and coalesces with the base droplet. After coalescence of the droplets, the two hollow cores can coalesce depending on the momentum of the incoming hollow core and the solidification rate. A high solidification rate corresponding to a high Stefan number St prevents the hollow cores from coalescing and thus induces a discrete hollow-core solidified product, whereas a low St number results in a coalesced hollow-core (CH) droplet. However, the coalescence of two droplets and/or their hollow cores does not affect the apex at the top of the final solidified droplet, which is created by volume expansion upon phase change. Some other parameters including the Peclet number Pe, the Weber number We, the size Ris of the incoming inner core, the position Hs of the incoming droplet and the number of cores Ni of the incoming droplet also affect the coalescence and phase transition of the droplets. It is found that transition from a CH region to a discrete hollow-core region occurs for lower Pe, Ris, or Ni. In contrast, decreasing the value of We or Hs enhances the CH region. Moreover, we provide regime diagrams based on the supercooling degree, the Peclet number, and the size of the inner core of the incoming droplet.