bluuebunny/crossref_metadata_2025 huggingface dataset:
Tandem Förster resonance energy transfer induced visual ratiometric fluorescence sensing of tetracyclines based on zeolitic imidazolate framework-8 incorporated with carbon dots and safranine T
Authors: Sun Xiangying , Xin Xiaolin , He Wei , Cao Xuegong , Shen Jiangshan
Published: February 2022

With increasing TC concentration, tandem FRET1 from CDs to TC, then FRET2 from TC to safranine T were occurred. TC could be easily recognized by naked eye. Besides, we could perform on-site detection of TC with the help of a mobile phone.
Copper-catalyzed multiple oxidation and cycloaddition of aryl–alkyl ketones (alcohols) for the synthesis of 4-acyl- and 4-diketo-1,2,3-triazoles
Authors: Huang Liangfeng , Zheng Lei , Zhou Zhongzhen , Chen Yunfeng
Published: February 2022

A Cu/TEMPO-catalyzed multiple oxidation and cyclization reaction from readily-available ketones (or alcohols) and organic azides has been developed.
Developing end-point methods for absolute binding free energy calculation using the Boltzmann-quasiharmonic model
Authors: Wickstrom Lauren , Gallicchio Emilio , Chen Lieyang , Kurtzman Tom , Deng Nanjie
Published: February 2022

EE-BQH (Effective Energy-Boltzmann-Quasiharmonic) is a new end-point method which combines the Boltzmann-Quasiharmonic model for configurational entropy with solvation free energy methods to compute the absolute binding free energy and dissect the thermodynamic forces in binding.
Flavin-mediated photoactivation of Pt(iv) anticancer complexes: computational insights on the catalytic mechanism
Authors: Scoditti Stefano , Dabbish Eslam , Pieslinger German E. , Rezabal Elixabete , Lopez Xabier , Sicilia Emilia , Salassa Luca
Published: February 2022

DFT studies reveal why riboflavin is an efficient photocatalyst for the activation through reduction of Pt(iv) anticancer prodrugs.
Controlling upconversion in emerging multilayer core–shell nanostructures: from fundamentals to frontier applications
Authors: Liu Songbin , Yan Long , Huang Jinshu , Zhang Qinyuan , Zhou Bo
Published: February 2022

This review presents a summary and discussion on the design, synthesis and optical manipulation of the recently emerged lanthanide-based multilayer core–shell (MLCS) nanostructures together with their diversities of frontier applications.
Investigating deposition sequence during synthesis of Pd/Al2O3 catalysts modified with organic monolayers
Authors: Blanchette Zachary , Zhang Jing , Yazdi Sadegh , Griffin Michael B. , Schwartz Daniel K. , Medlin J. Will
Published: February 2022

Pd/Al2O3 catalysts were modified with phosphonic acids through “metal-first” and “SAM-first” deposition sequences and evaluated for benzyl alcohol hydrodeoxygenation performance. SAM-first catalysts exhibited higher mass activities.
Approaching the isotropic spin-ladder regime: structure and magnetism of all-pyrazine-bridged copper(ii)-based antiferromagnetic ladders
Authors: Monroe Jeffrey C. , Carvajal M. Angels , Landee Christopher P. , Deumal Mercè , Turnbull Mark M. , Wikaira Jan L. , Dawe Louise N.
Published: February 2022

Cu(ii)-Based magnetic ladders catena-([Cu(pz)1.5(L)2](ClO4)2 (L = 3-X-4-pyridone) been prepared and characterized. Calculations support the proximity to the isotropic magnetic-ladder regime.
Spherical V-doped nickel–iron LDH decorated on Ni3S2 as a high-efficiency electrocatalyst for the oxygen evolution reaction
Authors: Bai Jie , Zhou Tianning , Gao Yihao , Zhang Meilin , Jing Xiaofei , Gong Yaqiong
Published: February 2022

The resulting V-NiFe LDH@Ni3S2 electrode has a unique spherical structure and exhibits an excellent electrocatalytic performance and durability under alkaline conditions.
Shear and endothelial induced late-stage calcific aortic valve disease-on-a-chip develops calcium phosphate mineralizations
Authors: Mendoza Melissa , Chen Mei-Hsiu , Huang Peter , Mahler Gretchen J.
Published: February 2022

We fabricated PDMS microfluidics with an internal collagen hydrogel to develop a bench-top model of calcific aortic valve disease.
A porous MOF-derived NiMn2O4 material and its superior energy storage performance for high-performance supercapacitors
Authors: Yuan Hao , Yuming Guo , Jiang Linghong
Published: February 2022

A binder-free C@NiMn2O4 electroactive material was prepared through the calcination of a pristine Ni,Mn-MOF at 600 °C for 4 h. The fabricated C@NiMn2O4/NF electrode exhibits an area specific capacitance of 5.39 F cm−2 at 2 mA cm−2.
Solvent-driven structural topologies in phenanthroline-based co-crystals of Zn(ii) involving fascinating infinite chair-like {[(bzH)4Cl2]2−}nassemblies and unconventional layered infinite {bz-H2O-Cl}nanion-water clusters: antiproliferative evaluation and theoretical studies
Authors: Dutta Debasish , Sharma Pranay , Gomila Rosa M. , Frontera Antonio , Barcelo-Oliver Miquel , Verma Akalesh K. , Baruwa Bandita , Bhattacharyya Manjit K.
Published: February 2022

Anticancer activities considering cell cytotoxicity, apoptosis and molecular docking have been explored in Zn(ii) co-crystals of phenanthroline involving infinite chair-like assemblies and unconventional layered infinite anion-water clusters.
Divergent synthesis of isoxazoles and 6H-1,2-oxazines via hypervalent iodine-mediated intramolecular oxygenation of alkenes
Authors: Chen Yuhang , Zhang Dingcheng , Sun Mingze , Ding Zhenhua
Published: February 2022

A fluoro benziodoxole reagent was used for the intramolecular cyclization of β,γ-unsaturated oximes to form five- or six-membered ring products.
A first-principles study of electronic and optical properties of the tetragonal phase of monolayer ZnS modulated by biaxial strain
Authors: Liu Bin , Su Wan-Sheng , Wu Bi-Ru
Published: February 2022

The evolution of electronic property for monolayer tetragonal ZnS under biaxial strain.
Fabrication of a highly stable Nb2O5@C/CNTs based anolyte for lithium slurry flow batteries
Authors: Tang Yujie , Yang Lipeng , Zhu Yuanmin , Zhang Fengjie , Zhang Haitao
Published: February 2022

Improving the stability of the anolyte and catholyte is crucial for the fabrication of high-performance lithium slurry flow batteries (LSFBs).
Tandem catalytic methylation of naphthalene using CO2 and H2
Authors: Wang Zijian , Chang Haohao , Zhang Jiang , Sun Zehui , Wu Yulin , Liu Yongmei , Zhu Yifeng , He Heyong , Cao Yong , Bao Xinhe
Published: February 2022

A tandem catalyst system comprising ZnZrOx solid solution and H-Beta was found to enable use of CO2 and H2 as the methylation reagents for selectively methylating naphthalene to methylnaphthalenes.
Dynamic [1]rotaxanes via a reversible covalent bond and host–guest anion recognition
Authors: Del Mauro Arico , Kokan Zoran , Šindelář Vladimír
Published: February 2022

Bambus[6]uril-based [1]rotaxanes were formed quantitatively, utilizing the bis(acyloxy)iodate(i) reversible covalent bond and host–guest anion recognition.
Specific assembly of dihydrobenzofuran frameworks via Rh(iii)-catalysed C–H coupling of N-phenoxyacetamides with 2-alkenylphenols
Authors: Wei Yinhui , Xu Huiying , Chen Fangyuan , Gao Hui , Huang Yugang , Yi Wei , Zhou Zhi
Published: February 2022

The synergistic dual directing group-enabled and Rh(iii)-catalysed redox-neutral C–H functionalization/[3+2] annulation has been realized for the synthesis of dihydrobenzofurans.
Total synthesis of (±) commiphoranes C–D and their epimers
Authors: Liu Xiaoyu , Deng Haidong , Jiang Yingjun , Cao Yang , Wang Zhe , Jiao Xiaozhen , Xie Ping
Published: February 2022

(±) Commiphorane C, (±) commiphorane D, and their two isomers were synthesized through a linear synthesis strategy in 14 steps.
Difluoromethylarylation of α,β-unsaturated amides via a photocatalytic radical smiles rearrangement
Authors: Wei Siqi , Le Siya , Lei Ziran , Zhou Liejin , Zhang Zuxiao , Dolbier William R.
Published: February 2022

Addition of the difluoromethyl radical, under photo-redox conditions, to a series of conjugated arylsulfonylated amides resulted in formation of two different products, which are selectively formed by altering reaction conditions.
Non-destructive measurement technique for water content in organic solvents based on a thermal approach
Authors: Surangsrirat Decho , Sridhar Vikram , Srikun Onsiri , Puanglamjeak Mananya , Birdi Prab , Dumnin Songphon , Thanawattano Chusak , Chana Kam S.
Published: February 2022

The proposed device could non-destructively detect the water content in organic solvents at low concentrations with high accuracy and without any specific reagent. It could determine the water content in methanol, ethanol, and isopropanol at 0–1% w/w.
Introducing a redox-active ferrocenyl moiety onto a polythiophene derivative towards high-performance flexible all-solid-state symmetric supercapacitors
Authors: Chen Bulin , Wong Wai-Yeung
Published: February 2022

By introducing a ferrocenyl moiety on the backbone of a polythiophene derivative, enhanced performances of flexible all-solid-state symmetric supercapacitors fabricated with such a conductive metallopolymer were achieved.
Oxygen-vacancy-rich Fe3O4/carbon nanosheets enabling high-attenuation and broadband microwave absorption through the integration of interfacial polarization and charge-separation polarization
Authors: Su Zhe , Zhang Wanyu , Lu Jiawei , Tian Liying , Yi Shan , Zhang Yayun , Zhou Shenghu , Niu Bo , Long Donghui
Published: February 2022

An oxygen-vacancy-rich Fe3O4/carbon nanosheets composite is fabricated from Fe3+-gluconate complex as precursor using a spontaneous foaming strategy. The composite has a unique 2D structure and exhibits superior microwave absorption capability.
Hunting for open clusters inGaiaEDR3: 628 new open clusters found with OCfinder
Authors: Castro-Ginard A. , Jordi C. , Luri X. , Cantat-Gaudin T. , Carrasco J. M. , Casamiquela L. , Anders F. , Balaguer-Núñez L. , Badia R. M.
Published: February 2022

Context.The improvements in the precision of the published data inGaiaEDR3 with respect toGaiaDR2, particularly for parallaxes and proper motions, offer the opportunity to increase the number of known open clusters in the Milky Way by detecting farther and fainter objects that have thus far gone unnoticed.

Aims.Our aim is to continue to complete the open cluster census in the Milky Way with the detection of new stellar groups in the Galactic disc. We useGaiaEDR3 up to magnitudeG= 18 mag, increasing the magnitude limit and therefore the search volume explored in one unit with respect to our previous studies.

Methods.We used theOCfindermethod to search for new open clusters inGaiaEDR3 using a big data environment. As a first step,OCfinderidentified stellar statistical overdensities in five-dimensional astrometric space (position, parallax, and proper motions) using theDBSCANclustering algorithm. Then, these overdensities were classified into random statistical overdensities or real physical open clusters using a deep artificial neural network trained on well-characterisedG,GBP–GRPcolour-magnitude diagrams.

Results.We report the discovery of 628 new open clusters within the Galactic disc, with most of them being located beyond 1 kpc from the Sun. From the estimation of ages, distances, and line-of-sight extinctions of these open clusters, we see that young clusters align following the Galactic spiral arms while older ones are dispersed in the Galactic disc. Furthermore, we find that most open clusters are located at low Galactic altitudes with the exception of a few groups older than 1 Gyr.

Conclusions.We show the success of theOCfindermethod leading to the discovery of a total of 1274 open clusters (joining the discoveries here with the previous ones based onGaiaDR2), which represents almost 50% of the known population. Our ability to perform big data searches on a large volume of the Galactic disc, together with the higher precision inGaiaEDR3, enable us to keep completing the census with the discovery of new open clusters.
On primitive words with non-primitive product
Authors: Echi Othman , Khalfallah Adel , Kroumi Dhaker
Published: February 2022

Let𝒜be an alphabet of sizen≥ 2. Our goal in this paper is to give a complete description of primitive wordsp≠qover𝒜such thatpqis non-primitive. As an application, we will count the cardinality of the setℰ(l,𝒜) of all couples (p,q) of distinct primitive words such that |p| = |q| =landpqis non-primitive, wherelis a positive integer. Then we give a combinatorial formula for the cardinalityε(n,l) of this set. The density in {(p,q) :p,qare distinct primitive words and |p| = |q| =l} of the setℰ(l,𝒜) is also discussed.
Post-traumatic superolateral temporo-mandibular dislocation with intact condyle: case series and literature review
Authors: Zegbeh N'guessan Eric Kouassi , Djémi Ernest Martial , Bérété Pornan Issa Jules , Salami Tahib Arnaud , Yapo Assi Romaric Evrard , Illi Biévianda Vincent , Crezoit Grébéret Emmanuel
Published: February 2022

Introduction: Supero-lateral temporomandibular dislocations with intact condyles are very rare, particularly in countries of sub-Saharan Africa where they are poorly documented. Materials and method: This was a retrospective study that included all patients received for superolateral temporomandibular dislocation with intact condyle following a maxillofacial trauma. The period covered by the study was from January 2011 to July 2021. Results: 3 patients were studied. According the classification of temporomandibular superolateral dislocation with intact condyle, the first patient had a Type II A, the second and the third patient, type II B. The manual reduction of the first patient luxation was unstable requiring an osteosynthesis of mandibular symphysis to stabilise the reduction of the temporomandibular dislocation. The second patient manual reduction was unsuccessful requiring an open reduction by preauricular approach. The third left against medical advice. Discussion: The occurrence of temporomandibular superolateral dislocation with intact condyle in an underdeveloped city like Bouaké, is not related to the density of road traffic but to the indiscipline of the many motorcyclists who do not wear helmets. Early reduction of the dislocation, early mobilisation of the joint and mechanotherapy positively influence the postoperative outcome.
Osteoporose-Management während der COVID-19
Pandemie
Authors: Tsourdi Elena
Published: February 2022

Aim The COVID-19 pandemic has influenced the management of many chronic
conditions including osteoporosis as resources are re-allocated to urgent
care.

Methods This mini-review summarizes the effects of COVID-19 on diagnosis
and management of osteoporosis. Evidence regarding possible effects of
osteoporosis medications on COVID-19 outcomes and the relationship of COVID-19
vaccination to osteoporosis care is reviewed. Finally, initiation and
maintenance of osteoporosis treatment during the pandemic are highlighted.

Results The use of standard procedures for the diagnosis of osteoporosis
and assessment of fracture risk significantly decreased during the COVID-19
pandemic, while the incidence of fragility fractures was mostly unaltered. Both
COVID-19 per se and its treatments are associated with a negative impact on bone
health. Osteoporosis medications do not aggravate the clinical course of
COVID-19, while preclinical data suggests possible beneficial effects of some
therapies. While vitamin D deficiency is clearly associated with a worse
clinical course of COVID-19, evidence of outcome improvement through vitamin D
supplementation is lacking. Osteoporosis treatment should not be generally
discontinued, and recommendations for substituting therapies are available.
Osteoporosis therapies do not interfere with the efficacy or side-effect
profiles of COVID-19 vaccines and should not be stopped or indefinitely delayed
because of vaccination.

Conclusion The diagnosis and management of osteoporosis are challenging
during the COVID-19 pandemic. Osteoporosis medications are safe and effective
and should be continued. Further studies will elucidate the impact of the
COVID-19 pandemic on long-term bone health.
Editorial
Authors: Peters Stefan , Scheer Janik
Published: February 2022

Liebe Leserinnen und Leser,

die positiven Auswirkungen von körperlichem Training auf die Gesundheit sind
mannigfaltig und zu diesem Zweck kommt es bei den verschiedensten Zielgruppen zum
Einsatz. Die Manuskripte, welche regelmäßig zur Publikation in der
Zeitschrift Bewegungstherapie und Gesundheitssport eingereicht werden, reflektieren
diese Vielfalt. Das vorliegende Heft mit seinem bunten Strauß an Themen kann
hierfür als Beispiel dienen.
Akzeptanz und Nutzung eines telemedizinischen
Rehabilitationsprogramms für Patienten mit Knie- oder
Hüft-Totalendoprothese
Authors: Hadzic Miralem , Eichler Sarah , Völler Heinz , Salzwedel Annett ,   Annett Salzwedel für die Arbeitsgruppe ReMove-It
Published: February 2022

Ziel der Studie Die langfristige Nutzung telemedizinischer Angebote
hängt nicht nur von deren Wirksamkeit, sondern auch von der Akzeptanz
und Zufriedenheit der Patienten ab. Für eine telemedizinische
Bewegungstherapie für Patienten nach Implantation einer Knie- oder
Hüft-Totalendoprothese und erfolgter Anschlussrehabilitation wurde die
Wirksamkeit bereits in einer randomisiert kontrollierten Studie untersucht.
Dieser Beitrag fokussiert die Akzeptanz und das Nutzungsverhalten der Patienten
hinsichtlich des eingesetzten telerehabilitativen Systems.

Methodik Zur Erfassung der Technikakzeptanz wurden 48 Patienten
(53±7 Jahre; 26 Frauen; 35 Hüft-/13 Knie-TEP) im
Anschluss an eine dreimonatige telemedizinische Bewegungstherapie mittels des
Telehealth Usability Questionnaire befragt. Der Fragebogen besteht aus 21 Items
(siebenstufige Likert-Skala) in sechs Skalen (z. B.
Nützlichkeit, Qualität der Interaktionen,
Verlässlichkeit). In einer zusätzlichen Skala wurden
systemspezifische Fragen zusammengefasst. Die Ergebnisse wurden als
Skalenprozent (100 ≙ vollkommene Zustimmung)
dargestellt. Das Nutzungsverhalten wurde anhand systemgenerierter Prozessdaten
zum Training sowie zu integrierten Sprach-/Textnachrichten
untersucht.

Ergebnisse Die TUQ-Skalen „Nützlichkeit“ (Mdn 95,2)
sowie „Benutzerfreundlichkeit und Erlernbarkeit“ (Mdn 92,9)
wurden am höchsten bewertet, während die
„Verlässlichkeit“ (Mdn 57,1) und
„Qualität der Interaktionen“ (Mdn 71,4) die geringsten
Ausprägungen zeigten. Die systemspezifische Skala wurde im oberen
Quartil eingeordnet (Mdn 85,7).

In der ersten Woche führten 39 Patienten (81%), in der zweiten 45
Patienten (94%) mindestens eine Trainingsübung mit dem System
durch. Der Anteil aktiver Patienten (≥1 Übung/Woche)
reduzierte sich im weiteren Verlauf auf 75% (n=36) in der 7.
Woche und 48% (n=23) in der 12. Woche. Die systemeigenen
Kommunikationsmöglichkeiten wurden nach Therapiestart zunächst
häufig genutzt: in der ersten Woche sendeten 42 Patienten (88%)
Nachrichten, 47 Patienten (98%) erhielten Nachrichten von ihrem
Therapeuten. In der 7. Woche sendeten/erhielten 9 (19%) bzw. 13
(27%) Patienten Nachrichten über das System.

Schlussfolgerung Die Patienten nahmen die telemedizinische
Bewegungstherapie überwiegend als nützlich und
benutzerfreundlich wahr und schienen im Wesentlichen mit dem System zufrieden,
das sich damit für den kurzfristigen Einsatz von 6 bis 8 Wochen im
Anschluss an eine Anschlussrehabilitation als gut geeignet zeigte.
Sensomotoriktraining in der Kinderonkologie – Umsetzung eines
kindgerechten und spielerischen Trainingskonzepts
Authors: Otten Sarah , Bischoff Clémentine , Oschwald Vanessa , Prokop Aram , Maas Volker , Bloch Wilhelm , Streckmann Fiona , Däggelmann Julia
Published: February 2022

Bei einem Sensomotoriktraining (SMT), hier konkret einem Gleichgewichtstraining
als Unterform des SMT, werden Übungen auf unterschiedlich stabilen
Untergründen und in verschiedenen Standpositionen durchgeführt.
Es hat das Potenzial, Regenerations- und Anpassungsmechanismen anzuregen und so
zur Plastizität des Nervensystems beizutragen. Das Training
ermöglicht eine individuelle und an die Tagesform angepasste Umsetzung
und zeichnet sich durch einen geringen Material- und Zeitaufwand sowie eine gute
Reproduzierbarkeit aus. Das SMT findet schon lange Anklang in der Rehabilitation
sowie der Verletzungs- und Sturzprophylaxe. In den vergangenen Jahren wurde es
auch vermehrt im Bereich der Erwachsenenonkologie zur Verbesserung der oftmals
weitreichenden therapiebedingten Beeinträchtigungen der unteren
Extremitäten, wie z. B. eine verminderte
Gleichgewichtsfähigkeit, umgesetzt. Auch an Krebs erkrankte Kinder und
Jugendliche sind häufig, u. a. infolge einer
Chemotherapie-induzierten Polyneuropathie (CIPN), von den genannten
Beeinträchtigungen in der unteren Extremität betroffen. Diese
können sie auch noch lange nach der medizinischen Therapie daran
hindern, ausreichend körperlich aktiv zu sein. SMT hat in diesem Kontext
das Potenzial, adäquate sensorische und motorische Voraussetzungen
für ein ausreichendes Aktivitätsniveau zu schaffen.

Mit dem Ziel einer kindgerechten, motivierenden und individuellen Umsetzung des
SMT wurde am Departement für Sport, Bewegung und Gesundheit der
Universität Basel ein spezielles Trainingskonzept für die
Kinderonkologie entwickelt. Mit einer Drehscheibe können die Kinder die
Übungen kreativ und spielerisch zusammensetzen und so die Schwierigkeit
individuell an ihre Tagesform nach der Therapie anpassen. Die Umsetzbarkeit des
Trainingskonzepts wurde in einer 4-wöchigen Pilotstudie im Rahmen eines
etablierten pädiatrisch-onkologischen Nachsorgesportprogramms der
Deutschen Sporthochschule Köln im Kinderkrankenhaus Amsterdamer
Straße Köln erprobt. Es nahmen 6 Kinder und Jugendliche teil.
Die vorläufigen Ergebnisse der Pilotstudie und ein Fallbeispiel zeigen,
dass das kindgerechte und spielerische SMT nach einer Krebserkrankung im
Kindesalter ohne Zwischenfälle umsetzbar ist und eine spezifische und
wertvolle Ergänzung der pädiatrisch-onkologischen
Bewegungstherapie darstellen kann.
Leichhardt, land clearing and livestock: the legacy of European agriculture in the Brigalow Belt bioregion of central Queensland, Australia
Authors: Thornton Craig M. , Elledge Amanda E.
Published: February 2022

Context The Brigalow Belt bioregion of central Queensland has been extensively developed for agriculture since exploration by Leichhardt in 1844. About 4.5 million hectares of vegetation dominated by brigalow (Acacia harpophylla) was cleared as part of the Land Development Fitzroy Basin Scheme, which commenced in 1962. When the Vegetation Management Act 1999 commenced, 93% of brigalow woodland had been cleared. Grazing is the dominant land use in the Fitzroy Basin, with 2.6 million cattle over 11.1 million hectares (72% of the catchment area). This is the largest cattle herd in any natural resource management region in Australia, accounting for 25% of the state herd and 11% of the national herd. Aims The Fitzroy Basin, Queensland’s largest coastal catchment, drains directly to the Great Barrier Reef, and as reef health continues to decline, there has been increased focus on the impacts of land-use change and grazing management on hydrology and runoff water quality. The Brigalow Catchment Study sought to determine the impact of land clearing, land-use change and land management on hydrology, soil fertility, water quality and animal production in the Fitzroy Basin. Methods The study is a paired, calibrated catchment study. Catchment hydrology, soil fertility, water quality and agricultural productivity were monitored before and after land clearing and land-use change. Key results The Brigalow Catchment Study has shown that clearing brigalow for grazing in the Fitzroy Basin doubled runoff, increased peak runoff rate by 50% and increased total suspended solid loads by 80%. Soil fertility and pasture productivity also declined under grazing compared with brigalow. Overgrazing exacerbated these results, as failure to reduce stocking rate with reduced pasture productivity more than tripled runoff, peak runoff rate and total suspended solid load compared with conservatively grazed pasture. Conclusions This study demonstrates the impacts of land-use change and land management on hydrology, soil fertility and water quality. The long-term data records are a model in their own right, capable of answering land-use and land-management questions beyond the initial study scope. Implications Sustainable grazing management should consider the production limitations of depleted soil and pasture resources to minimise land degradation.
Phosphorus fertilisation may induce Zn deficiency in cotton (
Authors: Ipsilantis Ioannis , Theologidou Georgia S. , Bilias Fotis , Karypidou Anna , Kalyvas Apostolos , Tsialtas Ioannis T.
Published: February 2022

On a P-poor, calcareous soil, three upland cotton (Gossypium hirsutum L.) cultivars (ST 402, ST 405, Zeta 2) were tested for 2 years under three P rates (0, 13.1, 26.2 kg P ha−1). Leaf traits (SPAD values; specific leaf area, SLA; carbon isotope discrimination, Δ; 15N natural abundance, δ15N) and elements (N, P, K, C, Na, Zn) along with arbuscular mycorrhizal (AM) colonisation were measured at first open flower, full bloom and first open boll stages. Phosphorus addition decreased yield, but had no effect on fibre quality, a response attributed to P-induced Zn deficiency, previously reported for cereals. The best-performing cv., ST 405, had high SPAD and SLA, but the lowest P, N and Zn concentrations, an indication of cultivar’s high use efficiency for these nutrients. At full bloom, SPAD was lowest, while SLA was highest. AM increased gradually with growth stages, while N, P, K and Zn concentrations showed an opposite trend, possibly due to a dilution effect. On Mediterranean calcareous soils, P fertilisation should take into account soil Zn levels in order to avoid P–Zn antagonistic relationships, which could impact negatively on yield.
The semiotics of family in Kazakh wedding toasts from the perspective of intercultural communication
Authors: Temirgazina Zifa , Rakhimzhanov Kanat , Akosheva Marzhan , Luczyk Malgorzata , Kulumzhanov Nurzhan , Shaharman Aigerim , Zyuldubayeva Razida
Published: February 2022

This article explores the specifics of the semiosis of family in the Kazakh culture. The approaches of Halliday
and Malinovsky were used to analyze the semiotics of wedding toasts, as well as the method of analyzing the “cultural metaphor” in
Sharifyan’s linguistics. Language units in the texts of Kazakh wedding toasts demonstrate the specific understanding of marriage
and family by the Kazakhs. The language contains “traces” of archaic, sacral, mythological ideas, rituals and traditions of the
Kazakhs. In particular, the semiotics of marriage reflect the idea of a young family as a new home. The semiotic parts of the
Kazakh yurt (shanyrak, kerege, and bosaga) are also sacred signs of marriage, symbolizing
happiness, well-being, wealth, and family safety. This is evidenced by the frequent use of names of the yurt – ak
otau and its components in the speech of the wedding party guests. The cosmogonic concepts ak jaryk,
nur (‘light’, ‘shine’) are important for understanding the semiotics of family. The difficulties in interpreting
wedding toasts arise in the intercultural communication due to Kazakh specific ideas about marriage and family presented in the
non-equivalent units of the language.
Children’s symbolic understanding of a digital, three-dimensional, interactive image (La comprensión simbólica infantil de una imagen digital, tridimensional e interactiva)
Authors: Sartori Mariana , Peralta Olga
Published: February 2022

Young children increasingly interact with technological devices, either as a form of entertainment or for educational purposes. This research sought to investigate the early symbolic understanding of an interactive, three-dimensional digital image presented on a tablet. Two studies were designed in which the children had to use the image as a source of information to solve a search task. The first study investigated the performance of children aged 30 and 36 months. We found that the children symbolically understood the image at 36 months, but not at 30. The second study investigated the impact of manipulation and instruction on the performance of 36-month-old children. The results showed that the manipulation of the image negatively impacted the understanding of it as a symbol, regardless of the instruction received. The results are interpreted in terms of the impact of manipulation, instruction and the three-dimensionality of the object on understanding it as a symbol. Possible implications in education are also discussed.
Association of cardiac autonomic modulation with different intensities of physical activity in a small Brazilian inner city: A gender analysis
Authors: Christofaro Diego G.D. , Tebar William R. , Vanderlei Luiz Carlos M. , Fernandes Rômulo A. , Mota Jorge , Mielke Gregore I. , Ritti‐Dias Raphael M.
Published: February 2022

Physical activity has been linked to higher cardiac autonomic modulation. However, it is not clear in the literature which type of intensity of physical activity (sedentary, light, moderate, or vigorous) could be related to better cardiac autonomic modulation and whether this relationship is similar in men and women. The aim of this study was to analyze the relationship between cardiac autonomic modulation and the different intensities of physical activity in men and women. The sample included 100 men and 131 women. Cardiac autonomic modulation was obtained by heart rate variability (SDNN, RMSSD, LF un, HF un, SD1, and SD2). Time spent in different intensities (sedentary, light, moderate, and vigorous intensity physical activity) was measured using a waist‐worn accelerometer for seven days. Linear regression was used to verify the relationship between physical activity and cardiac autonomic modulation, considering the adjustment for age, ethnicity, and socioeconomic level. Among men, a significant relationship of moderate intensity was observed with SDNN (β = 2.442; p = 0.021) and SD2 (β = 2.936, p = 0.028), and of vigorous intensity with SDNN (β = 12.826, p = 0.028), RMSSD (β = 16.370, p = 0.018), and SD1 (β = 12.344, p = 0.025) indices. Among women, light‐intensity physical activity was significantly related with LFnu (β = . 655, p = 0.005) and HFnu (β = ‐.590, p = 0.010). Moderate and vigorous physical activity was associated with better cardiac autonomic modulation in men. Light physical activity was associated with lower sympathetic modulation in women.
Solving curing-protocol-dependent shape errors in PDMS replication
Authors: Delplanque Emilie , Aymard Antoine , Dalmas Davy , Scheibert Julien
Published: February 2022

PolyDiMethylSiloxane (PDMS) is an elastomer increasingly used to produce soft objects by replication, in a variety of fields including soft electronics, microfluidics, tribology, biomechanics and soft robotics. While PDMS replication is usually considered faithful at all scales, down to nanoscales, detailed quantitative comparisons between the geometric features of the mold and the replicated object are still required to further ground this commonly accepted view. Here, we show that the top surface of centimetric parallelepipedic PDMS blocks, molded on a rigid plate, deviates from its expected flatness, the amplitude of the deviation being dependent on the crosslinking protocol. As a practical solution, we identify a suitable two-steps protocol which eliminates those replication errors. Using finite element simulations, we show that the effect originates from a thermal contraction when the sample cools from the curing temperature down to the operating temperature. This phenomenon actually applies at any length scale, and finely depends on the sample’s aspect ratio and boundary conditions. Our results should help mitigating replication errors in all applications where a well-defined sample geometry is required.
Surface acoustic wave quasi-Bessel beams generated by symmetrically tilted interdigital transducers
Authors: Ulug Bulent , Kuruoğlu Furkan , Yalçın Yeşim , Erol Ayşe , Sarcan Fahrettin , Şahin Ali , Cicek Ahmet
Published: February 2022

Formation of surface acoustic wave (SAW) quasi-Bessel beams on a piezoelectric substrate through superposition of plane waves generated by interdigital transducers tilted symmetrically about the propagation axis is numerically and experimentally demonstrated. Acting as an axicon, the tilted transducers provide a facile way for quasi-Bessel beam generation. Finite-element method simulations reveal that non-diffracting Bessel beams, whose length and width are 193 and 1.38 wavelengths, respectively, can be obtained on a YX-128∘ lithium niobate substrate for an axicon angle of 15 degrees. The corresponding values for 20 degrees are 146 and 1.05 wavelengths, respectively. For a wavelength of approximately 300 micrometers, transmission spectra show that Bessel beam formation can be achieved at frequencies around 13.3 MHz. Bessel beam is visualized through a thin liquid film of methanol on the substrate. SAW Bessel beams can be utilized in acoustophoresis in microfluidic systems and sensing applications.
Engineering Purcell factor anisotropy for dark and bright excitons in two dimensional semiconductors
Authors: Eswaramoorthy Lekshmi , Mokkapati Sudha , Kumar Anshuman
Published: February 2022

Tightly bound dark excitons in atomically thin semiconductors can be used for various optoelectronic applications including light storage and quantum communication. Their optical accessibility is however limited due to their out-of-plane transition dipole moment. We thus propose to strengthen the coupling of dark excitons in two dimensional materials with out-of-plane resonant modes of a cavity at room temperature, by engineering the anisotropy in the Purcell factor. A silica micro-disk characterised by high confinement of light in small modal volume, high Q-factor and free spectral range is used to couple to the excitons in monolayer transition metal dichalcogenides (TMDCs). We show numerically that the tapering of sidewalls of the micro-disk is an extremely versatile route for achieving the selective coupling of whispering gallery modes to light emitted from out-of-plane dipoles to the detriment of that from in-plane ones for four representative monolayer TMDCs.
Non-magnetic ion site disorder effects on the quantum magnetism of a spin-1/2 equilateral triangular lattice antiferromagnet
Authors: Huang Q , Rawl R , Xie W W , Chou E S , Zapf V S , Ding X X , Mauws C , Wiebe C R , Feng E X , Cao H B , Tian W , Ma J , Qiu Y , Butch N , Zhou H D
Published: February 2022

With the motivation to study how non-magnetic ion site disorder affects the quantum magnetism of Ba3CoSb2O9, a spin-1/2 equilateral triangular lattice antiferromagnet, we performed DC and AC susceptibility, specific heat, elastic and inelastic neutron scattering measurements on single crystalline samples of Ba2.87Sr0.13CoSb2O9 with Sr doping on non-magnetic Ba2+ ion sites. The results show that Ba2.87Sr0.13CoSb2O9 exhibits (i) a two-step magnetic transition at 2.7 K and 3.3 K, respectively; (ii) a possible canted 120 degree spin structure at zero field with reduced ordered moment as 1.24 μ
B/Co; (iii) a series of spin state transitions for both H∥ab-plane and H∥c-axis. For H∥ab-plane, the magnetization plateau feature related to the up–up–down phase is significantly suppressed; (iv) an inelastic neutron scattering spectrum with only one gapped mode at zero field, which splits to one gapless and one gapped mode at 9 T. All these features are distinctly different from those observed for the parent compound Ba3CoSb2O9, which demonstrates that the non-magnetic ion site disorder (the Sr doping) plays a complex role on the magnetic properties beyond the conventionally expected randomization of the exchange interactions. We propose the additional effects including the enhancement of quantum spin fluctuations and introduction of a possible spatial anisotropy through the local structural distortions.
Study of crystal properties based on attention mechanism and crystal graph convolutional neural network
Authors: Wang Buwei , Fan Qian , Yue Yunliang
Published: February 2022

The prediction of crystal properties has always been limited by huge computational costs. In recent years, the rise of machine learning methods has gradually made it possible to study crystal properties on a large scale. We propose an attention mechanism-based crystal graph convolutional neural network, which builds a machine learning model by inputting crystallographic information files and target properties. In our research, the attention mechanism is introduced in the crystal graph convolutional neural network (CGCNN) to learn the local chemical environment, and node normalization is added to reduce the risk of overfitting. We collect structural information and calculation data of about 36 000 crystals and examine the prediction performance of the models for the formation energy, total energy, bandgap, and Fermi energy of crystals in our research. Compared with the CGCNN, it is found that the accuracy (ACCU) of the predicted properties can be further improved to varying degrees by the introduction of the attention mechanism. Moreover, the total magnetization and bandgap can be classified under the same neural network framework. The classification ACCU of wide bandgap semiconductor crystals with a bandgap threshold of 2.3 eV reaches 93.2%, and the classification ACCU of crystals with a total magnetization threshold of 0.5 μ
B reaches 88.8%. The work is helpful to realize large-scale prediction and classification of crystal properties, accelerating the discovery of new functional crystal materials.
Band offset trends in IV–VI layered semiconductor heterojunctions
Authors: Wang Ying , Qiu Chen , Shen Chenhai , Li Lin , Yang Kaike , Wei Zhongming , Deng Hui-Xiong , Xia Congxin
Published: February 2022

The band offsets between semiconductors are significantly associated with the optoelectronic characteristics and devices design. Here, we investigate the band offset trends of few-layer and bulk IV–VI semiconductors MX and MX2 (M = Ge, Sn; X = S, Se, Te). For common-cation (anion) systems, as the atomic number increases, the valence band offset of MX decreases, while that of MX2 has no distinct change, and the physical origin can be interpreted using band coupling mechanism and atomic potential trend. The band edges of GeX2 system straddle redox potentials of water, making them competitive candidates for photocatalyst. Moreover, layer number modulation can induce the band offset of GeSe/SnS and GeSe2/GeS2 heterojunction undergoing a transition from type I to type II, which makes them suitable for optoelectronic applications.
A deep feature extraction approach for bearing fault diagnosis based on multi-scale convolutional autoencoder and generative adversarial networks
Authors: Hu Zhiyong , Han Taorui , Bian Jun , Wang Ziwei , Cheng Liu , Zhang Wenlei , Kong Xiangwei
Published: February 2022

The vibration signal of a bearing is closely related to its fault. The quality of the features extracted from the signal has a great impact on the accuracy of fault diagnosis. In this paper, a new method combining multi-scale autoencoder (AE) and generative adversarial network is proposed to extract the depth-sensitive features of the signal, and unite with the classifier for fault diagnosis. The AE is used as the generator (i.e. the generator is composed of encoder and decoder), and the idea of confrontation and reconstruction is used for training. The better the training of the generator, the better the training of the encoder, which means that the extracted feature of the encoder (the output of the encoder) is better. Then take these features as new inputs, send them to the classifier for classification, and finally get the fault type. This method solves the problems of weak representation and over-reliance on professional knowledge of the traditional method for bearing fault diagnosis. Meanwhile, compared with most existing neural network models for fault diagnosis, it has higher accuracy, especially in difficult diagnosis tasks. To further verify the effectiveness of the proposed model, a bearing test rig is established, and the collected data are used for fault diagnosis to prove the superiority of the proposed method.
Figures of merit of plasmon lattice resonance sensors: shape and material matters
Authors: Huang Xiaodan , Zhang Bo , Yu Bin , Zhang Hao , Shao Guojian
Published: February 2022

The figure of merit (FOM) of plasmon lattice resonance (PLR) sensors based on the array of metal/Si/SiO2 nanoparticles has been investigated. We demonstrate the shape and material of metal nanoparticles have remarkable effects on the PLR and FOM. FOM is governed by full-widths at half maximum (FWHM) and sensitivity of the PLR. Three different types of PLR can be generated by changing Ag nanoparticles’ shapes (pillars, cubes, spheres). One (named PLR1) is mainly originated from the coupling between Mie resonance of individual Si nanopillars and diffraction waves. PLR1 of Ag/Si/SiO2 nanoparticle arrays is limited in sensing applications due to lower intensity (for Ag pillars and Ag cubes), or smaller FOM (for Ag spheres). The other two are named PLR2. PLR2 of Ag/Si/SiO2 nanoparticle array with Ag pillars (or Ag cubes) is mainly originated from the coupling between the quadrupole resonance of individual Ag nanopillars (or Ag cubes) and diffraction waves. While PLR2 of Ag/Si/SiO2 nanoparticle array with Ag spheres is mainly originated from the coupling between dipole resonance of individual Ag nanospheres and diffraction waves. The optimal Ag nanoparticles’ shape in FOM is pillar due to the smallest FWHM of PLR2 of Ag/Si/SiO2 nanoparticle array with Ag pillars. Meanwhile, a comparison of FOM between Au, Ag and Al nanopillars of fixed size is made. The optimal material of metal nanopillars to obtain a high FOM is Ag due to higher sensitivity and narrower FWHM.
Strain and crystallite size controlled ordering of Heusler nanoparticles having high heating rate for magneto-thermal application
Authors: Karim Md Rejaul , Naryan Panda Surya , Barman Anjan , Sarkar Indranil
Published: February 2022

Heusler compound nanoparticles with good structural ordering need to be investigated as a potential material class for magneto-thermal applications requiring heat generation in presence of an oscillating magnetic field. Here, we report an important finding of a structural parameter related to the product of the strain and the coherent crystallite size, that can be used to efficiently control the structural ordering and the magnetic property of the Heulser compound nanoparticles. The optimization of this product parameter is found to enhance both the structural ordering and magnetic transition temperature in Co2FeSn Heusler nanoparticles. Furthermore, using magnetic hyperthermia measurements we demonstrate the possibility of heat generation using Heusler compound nanoparticles comparable to that of conventional magnetic nanoparticles. This shall lead to the development of Heulser compounds for similar applications.
Aligned deposition of bottom-up grown nanowires by two-directional pressure-controlled contact printing
Authors: Salimitari P , Behroudj A , Strehle S
Published: February 2022

Aligned large-scale deposition of nanowires grown in a bottom-up manner with high yield is a persisting challenge but required to assemble single-nanowire devices effectively. Contact printing is a powerful strategy in this regard but requires so far adequate adjustment of the tribological surface interactions between nanowires and target substrate, e.g. by microtechnological surface patterning, chemical modifications or lift-off strategies. To expand the technological possibilities, we explored two-directional pressure-controlled contact printing as an alternative approach to efficiently transfer nanowires with controlled density and alignment angle onto target substrates through vertical-force control. To better understand this technology and the mechanical behavior of nanowires during the contact printing process, the dynamic bending behavior of nanowires under varying printing conditions is modeled by using the finite element method. We show that the density and angular orientation of transferred nanowires can be controlled using this three-axis printing approach, which thus enables potentially a controlled nanowire device fabrication on a large scale.
On a 1D model with nonlocal interactions and mass concentrations: an analytical-numerical approach*
Authors: Abreu E , Ferreira L C F , Galeano J , Pérez J
Published: February 2022

We study global well-posedness and finite time blow-up of solutions for a nonlinear one-dimensional transport equation with nonlocal velocity

u

t

−

H

u

u

x

=
ν

u

x
x

, ν > 0, and measure initial data. Such model arises in fluid mechanics in vortex-sheet problems and its nonlocal feature comes from the presence of a singular integral operator (Hilbert transform

H

u

) in the velocity field. In the viscous case ν > 0, we analytically obtain an explicit condition on the size of the initial data for the global well-posedness in the framework of pseudomeasure spaces. In fact, we can give the condition depending on the initial-mass and analyze how the flow evolves from singular measures. Also, we numerically study blow-up of concentration type and global diffusion-smooth behavior of solutions. We obtain numerics that indicate the threshold value 2π for the initial-data mass that decides between blow-up or global smoothness of solutions. Such value is the same obtained for regular initial-data and by means of entropy methods. Thus, it seems to be intrinsic to the nonlocal PDE and independent of a particular framework, approach and initial-data regularity. The inviscid case ν = 0 is remarkable: simulations for model

u

t

−

H

u

u

x

=
0

, evidence that the solution presents blow-up of concentration type with mass-preserving, while an attenuation effect is observed for the model with opposite sign in the nonlinearity

u

t

+

H

u

u

x

=
0

, for any nontrivial (positive) measure as initial data.
Regularity and upper semicontinuity of pullback attractors for non-autonomous Rao–Nakra beam
Authors: Aouadi Moncef
Published: February 2022

In this paper we study the long-time dynamics of a non-autonomous Rao–Nakra sandwich beam. The governing equations of Rao–Nakra sandwich beam consist of two wave equations for the longitudinal displacements of the top and bottom layers, and one Euler–Bernoulli beam equation for the transversal displacement. Under quite general assumptions on nonlinear damping and sources terms and based on nonlinear semigroups and the theory of monotone operators, we establish existence and uniqueness of weak and strong solutions. We also establish a Lipschitz stability result. We prove the existence of pullback attractors in natural space energy. Finally, we prove the regularity of the family of pullback attractors and its upper semicontinuous with respect to the fractional exponent γ ∈ (0, 1/2).