bluuebunny/crossref_metadata_2025_split huggingface dataset:
A deep learning approach for predicting critical events using event logs
Authors: Huang Congfang , Deep Akash , Zhou Shiyu , Veeramani Dharmaraj 
Published: February 2021

AbstractEvent logs, comprising data on the occurrence of different types of events and associated times, are commonly collected during the operation of modern industrial machines and systems. It is widely believed that the rich information embedded in event logs can be used to predict the occurrence of critical events. In this paper, we propose a recurrent neural network model using time‐to‐event data from event logs not only to predict the time of the occurrence of a target event of interest, but also to interpret, from the trained model, significant events leading to the target event. To improve the performance of our model, sampling techniques and methods dealing with the censored data are utilized. The proposed model is tested on both simulated data and real‐world datasets. Through these comparison studies, we show that the deep learning approach can often achieve better prediction performance than the traditional statistical model, such as, the Cox proportional hazard model. The real‐world case study also shows that the model interpretation algorithm proposed in this work can reveal the underlying physical relationship among events.
Group‐IV‐based selective CH bond activation of a diamondoid—A density functional theory study
Authors: Suleiman Motasem , Taullaj Fioralba , Fekl Ulrich 
Published: February 2021

AbstractSelective synthetic modifications on diamondoids (well‐defined molecular nano‐diamonds) are difficult. Group IV organometallic complexes are promising systems for CH bond activation. We study the CH bond activation of the hard‐to‐activate CH2 positions of the adamantyl group (the smallest diamondoid) using density functional theory. As a platform for activation, we tether the adamantyl group to the cyclopentadienyl in a substituted bis‐cyclopentadienyl group IV metal diphenyl complex. The mechanism proposed in the experimental paper reporting the activation of C(Me)2‐Ph or t‐Bu groups using Zr(IV) involves an η2‐benzyne complex intermediate. Our computational work confirms the two‐step mechanism proposed for activation of C(Me)2‐Ph or t‐Bu using Zr(IV) and further extends it to Ti(IV) and Hf(IV). The first step forms the benzyne complex. In the second step, the cyclopentadienyl‐bound group is activated through a mechanism that closely resembles a σ‐bond metathesis when the benzyne complex is described as a metallacyclopropene We demonstrate through computations that the two‐step reaction can be successfully applied to the adamantyl group. CH bond activation of adamantyl is found to be thermodynamically and kinetically feasible. The important question of regioselectivity is addressed. We predict that α‐CH bond activation will be achievable with Ti (thermodynamic control), and selective γ‐CH bond activation with Zr (kinetic or thermodynamic control).
Zinc Ferrite Nanoparticles: Unusual Growth Mechanism for Size‐Dependent Properties
Authors: Wang Yan , Li Guangshe , Zhang Yuelan , Li Liping 
Published: February 2021

AbstractHerein, non‐stoichiometric zinc ferrite nanoparticles, Zn0.86Fe2.14O4+δ,with grain sizes of being smaller than 11 nm were successfully prepared by varying the hydrothermal reaction duration and temperature. The influence of reaction temperature and time on the grain size of zinc ferrite nanoparticles was investigated. Non‐stoichiometric zinc ferrite nanoparticles underwent distinct processes at different reaction temperatures: at 200 °C, the growth mechanism follows an Ostwald ripening model with activation energy 124.7 kJ/mol, while at 120 °C, the particle growth is governed by aggregation and coalescence, Ostwald ripening mechanism with the activation energy 27.5 kJ/mol and digestive ripening process.The abnormal growth behavior of zinc ferrite nanoparticles is completely different from previous reports on the oxides. Detailed analysis of XPS, XRD, FT‐IR and Mössbauer spectra revealed that the presence of rich iron oxides on the surface of nanoparticles is responsible to the non‐stoichiometry. Moreover, unit cell volume and magnetic property of non‐stoichiometric zinc ferrite exhibited two extremum as the increase of grain size, which was closely related to the grain size‐dependent structure changing. The unusual growth behavior and the size dependent structure and property changes of non‐stoichiometric zinc ferrite nanoparticles reported in this work may be beneficial to guide the future development of magnetic materials.
Ultrasonic Bioconversion of Silver Ions into Nanoparticles with Azadirachta indica Extract and Coating over Plasma‐Functionalized Cotton Fabric
Authors: Anwar Muhammad , Shukrullah Shazia , Haq Inzamam U. , Saleem Muhammad , AbdEl‐Salam Nasser M. , Ibrahim Khalid A. , Mohamed Hassan F. , Khan Yasin 
Published: February 2021

AbstractAn ultrasonication approach was adopted for Azadirachta indica driven bioconversion of silver salt into silver nanoparticle (AgNPs). These nanoparticles were coated over plasma functionalized cotton by using a pad dry cure technique. For pre‐coat surface functionalization, the cotton fabric was exposed to an open air single dielectric barrier discharge (DBD). The emission spectrum revealed that DBD consisted of NO, O3, O,
, O+, OH−, N2 and
species. The plasma treatment produced negative radicals on the surface and improved the adhesion of fabric for nanoparticles. The crystallographic analysis revealed cubical structure of nanoparticles with average size of 25 nm. The fabric got fully covered with AgNPs after five pad‐dry cycles. Nanoparticles together with neem extract promoted the antimicrobial activity of the coated fabric. The inhibition zone of the silver coated fabric against E.Coli strains increased from 6 mm to 14 mm. The conductivity of fabric after 3, 5 and 7 cycles remained 2.56
10−2, 2.63
10−2 and 2.67
10−2 Siemens/cm, respectively. The coated fabric showed UV protection factor in the range of 210–269. The transmittance of UV−A radiations and UV−B radiations from the uncoated fabric was 19.27 % and 7.84 %, respectively, which reduced to 0.76 % and 0.24 % after 7 pad dry cycles.
Recovery of Aluminum and Preparation of Porous Carbon from Tetra Pak Waste
Authors: Huo Hanxin , Ma Yuhui , Wang Xunliang 
Published: February 2021

AbstractPyrolysis of paper and polyethylene in Tetra Pak waste occurred at 368 and 490 °C, respectively, while aluminum did not melted until the temperature reached 660 °C, thus aluminum and char can be obtained by carbonization of Tetra Pak waste at 550 °C. Pyrolytic char was processed into porous carbons by different methods. Specific surface area of the porous carbon prepared by carbonization of acid‐washed char at 850 °C achieved 741 m2 g−1, and the specific surface area of the porous carbon prepared from char by successively carbonization at 850 °C and acid‐washing was 732 m2 g−1. The developed porous structure was formed due to the polymerization of char above 650 °C, while the etching of char by CO2 generated via decomposition of inherent calcite led to a lower microporosity. Methylene blue adsorption capacity of the optimized sample reached 140 mg g−1, and the equilibrium data followed Langmuir model.
Augmented Listeria monocytogenes Biofilm Architecture Disruption and Synergistic effect of Antibiotics on Bacterial Species by Biosynthesized Silver Nanoparticles
Authors: Pandey Prem , Deshpande Pooja , Shirolkar Mandar M. , Patil Yogesh , Tiwari Amit K. , Kulkarni Atul 
Published: February 2021

AbstractTweaked standalone silver nanoparticles (AiAgNPs) were synthesized using Azadirachta indica (Ai) methanolic leaf extract. The as‐synthesized AiAgNPs in combination with standard antibiotics demonstrated enhanced antibacterial efficacy (2‐10‐fold) as compared to standard antibiotics with Listeria monocytogenes being the most resistant one. FESEM images reflect that AiAgNPs alone successfully disrupted hospital borne nosocomial infection causing L. monocytogenes stubborn biofilm.
The Activation and Reduction of N2 by Single/Double‐Atom Electrocatalysts: A First‐Principle Study
Authors: Zhang Shishi , Wang Mingda , Jiang Sheng , Wang Hongming 
Published: February 2021

AbstractDeveloping low‐cost and highly efficient electrocatalysts for nitrogen reduction reaction (NRR) is one of the most attractive challenges. In this work, we systematically investigated the catalytic properties of the single atom catalysts (SAC) and the double atom catalysts (DAC) for NRR via First‐Principle calculations. The SAC and DAC were formed by single and double transition metal (TM) atoms anchored on N‐doped graphene monolayers (TMxN3x‐graphene, x=1, 2; TM=Mo, Fe, Co, Ni and Cu). It is shown that both the SAC and the DAC have exhibited high catalytic properties for NRR. Moreover, when N2 is absorbed by its side‐on sites, SAC even performs better than DAC. And in five kinds of TM atoms, Fe‐complexes exhibit significantly improved catalytic properties. Especially, Fe1N3‐graphene has the best catalytic activity for NRR with the lowest free energy change of 0.04 eV in the rate determining step (RDS). This work not only proposes the differences of SAC and DAC but also provides a new kind of single atom catalysts (SAC) for NNR.
Switching Propulsion Mechanisms of Tubular Catalytic Micromotors
Authors: Wrede Paul , Medina‐Sánchez Mariana , Fomin Vladimir M. , Schmidt Oliver G. 
Published: February 2021

AbstractDifferent propulsion mechanisms have been suggested for describing the motion of a variety of chemical micromotors, which have attracted great attention in the last decades due to their high efficiency and thrust force, enabling several applications in the fields of environmental remediation and biomedicine. Bubble‐recoil based motion, in particular, has been modeled by three different phenomena: capillary forces, bubble growth, and bubble expulsion. However, these models have been suggested independently based on a single influencing factor (i.e., viscosity), limiting the understanding of the overall micromotor performance. Therefore, the combined effect of medium viscosity, surface tension, and fuel concentration is analyzed on the micromotor swimming ability, and the dominant propulsion mechanisms that describe its motion more accurately are identified. Using statistically relevant experimental data, a holistic theoretical model is proposed for bubble‐propelled tubular catalytic micromotors that includes all three above‐mentioned phenomena and provides deeper insights into their propulsion physics toward optimized geometries and experimental conditions.
Footloose multinationals: Extending the internalization theory
Authors: Gokh Irina , Filippaios Fragkiskos 
Published: February 2021

AbstractInternalization theory explains how the multinational enterprise (MNE) makes decisions on new investments but does not explicitly address the restructuring (i.e., unbundling) processes that can take place within the MNE network of subsidiaries. Further extensions to internalization theory have considered the ways MNEs recombine, bundle, unbundle and orchestrate resources but have yet to address specifically the issue of divestments and relocations. We contribute to the literature by extending internalization theory through conceptualizing footloose behavior, a repeated relocation of divested operations over a period of time, and approaching MNEs behavior in a holistic way. Empirically, we use four case studies of mature, complex and diversified MNEs within the context of European Union (EU). These MNEs have engaged in several investments, divestments and relocations over several years. Through the analysis of their behavior we demonstrate how the inclusion of divestments and relocations can extend internalization theory in explaining the modern MNE.
On‐demand field shaping for enhanced magnetic resonance imaging using an ultrathin reconfigurable metasurface
Authors: Wang Hanwei , Huang Hsuan‐Kai , Chen Yun‐Sheng , Zhao Yang 
Published: February 2021

AbstractThe signal‐to‐noise ratio (SNR) is the main figure of merit that assesses the quality of magnetic resonance imaging (MRI). Existing studies mainly focus on improving the magnetic field intensities of the constant homogenous field from the main coil or the oscillating field from the radio frequency (RF) coil. In addition to these options, SNR also depends on the coupling between the imaging subject and the RF coil during the signal reception, which has been largely ignored. Here, we provide a different route toward enhancing the SNR of MRI by improving this coupling during the signal reception. We elucidate a theoretical design of an ultrathin metasurface with micrometer thickness and high flexibility. This metasurface is reconfigurable; it can selectively boost the SNR at a desired imaging region with any arbitrary shapes. Our design has shown that this metasurface can enhance SNR by up to 28 times in the region of interest. At the same time, the metasurface is designed to minimally disturb the excitation fields by less than 1.6%, thus maintaining the uniformity of the excitation, important to achieve a high‐quality MR image without artifacts.
Lead(II) Tetracyanidoborates with Pb2O2 Dimers Embedded in Network Structures
Authors: Siegesmund Antje , Küppers Torsten , Graf Roland , Hennig Philipp T. , Wirthensohn Raphael , Sprenger Jan A. P. , Finze Maik , Köckerling Martin 
Published: February 2021

AbstractFirst lead(II) tetracyanidoborates were synthesized and the crystal structures of [Pb2(H2O)4{B(CN)4}4] (1) and [Pb2(O2CCH3)2{B(CN)4}2(C2H5OH)2] (2) were determined by X‐ray diffraction. Both compounds contain dinuclear centrosymmetric Pb2O2 cores. The Pb(II) ions in both compounds have heteroleptic holodirected coordination environments constituted by three O and five N atoms (O3N5) in 1 different from that in 2, which is constituted by four O and four N atoms (O4N4). In 1 the bridging O atoms of the Pb2O2 unit belong to the water ligands, whereas in 2 one O atom of each of the two acetate ligands has the bridging functionality whereas the second one is terminally bonded, i. e. the acetate ligand coordinates in a μ2‐η2:η1 fashion. In 2, all four N atoms of the tetracyanidoborate anion are coordinated to neighboring Pb2O2 units, whereas in 1 free cyanido groups exist. Nevertheless, in both structures the dinuclear Pb units are three‐dimensionally interconnected, i. e. they are Pb(II) coordination networks. On heating compound 1 loses the aqua ligands and anhydrous Pb[B(CN)4]2 forms.
Tricarbonylrhenium(I) and ‐technetium(I) Complexes with Tris(1,2,3‐triazolyl)phosphine Oxides
Authors: Li Bo , Hildebrandt Sarah , Hagenbach Adelheid , Abram Ulrich 
Published: February 2021

AbstractTwo potentially tripodal ligands, tris(1‐phenyl‐1H‐1,2,3‐triazol‐4‐yl)phosphine oxide (OP(1,2,3Tz1−Ph)3) and tris(1‐benzyl‐1H‐1,2,3‐triazol‐4‐yl)phosphine oxide (OP(1,2,3Tz1−benz)3), were used in reactions with [Re(CO)5Br] and (NEt4)2[Tc(CO)3Cl3]. While the formation of rhenium complexes with bidentate and tridentate coordinated phosphine oxides was observed, for technetium only cationic complexes with tripodal coordinated OP(1,2,3Tz1−R) ligands were isolated. The products have been characterized spectroscopically and by single crystal X‐ray diffraction.
Lattice regularisation of a non-compact boundary conformal field theory
Authors: Robertson Niall F. , Jacobsen Jesper Lykke , Saleur Hubert 
Published: February 2021

Abstract
Non-compact Conformal Field Theories (CFTs) are central to several aspects of string theory and condensed matter physics. They are characterised, in particular, by the appearance of a continuum of conformal dimensions. Surprisingly, such CFTs have been identified as the continuum limits of lattice models with a finite number of degrees of freedom per site. However, results have so far been restricted to the case of periodic boundary conditions, precluding the exploration via lattice models of aspects of non-compact boundary CFTs and the corresponding D-brane constructions.The present paper follows a series of previous works on a ℤ2-staggered XXZ spin chain, whose continuum limit is known to be a non-compact CFT related with the Euclidian black hole sigma model. By using the relationship of this spin chain with an integrable $$ {D}_2^2 $$

D
2
2

vertex model, we here identify integrable boundary conditions that lead to a continuous spectrum of boundary exponents, and thus correspond to non-compact branes. In the context of the Potts model on a square lattice, they correspond to wired boundary conditions at the physical antiferromagnetic critical point. The relations with the boundary parafermion theories are discussed as well. We are also able to identify a boundary renormalisation group flow from the non-compact boundary conditions to the previously studied compact ones.
Muskuloskelettale Labordiagnostik im Leistungssport
Authors: Delsmann Maximilian M. , Stürznickel Julian , Amling Michael , Ueblacker Peter , Rolvien Tim 
Published: February 2021

Zusammenfassung
Hintergrund
Die labordiagnostische Untersuchung stellt eine wichtige Möglichkeit zur Beurteilung und Optimierung der Leistungs- und Regenerationsfähigkeit professioneller Athleten dar. Ferner ist sie für die Prävention, Diagnostik und Rehabilitation von Verletzungen und Überbelastungen von Bedeutung.

Fragestellung
Ziel dieser Arbeit ist die Darstellung muskuloskelettaler laborchemischer Parameter, die relevante Erkenntnisse für die medizinische Betreuung von Leistungssportlern liefern.

Material und Methoden
Literaturrecherche und narratives Review.

Ergebnisse
Die Bestimmung des Vitamin-D-, Calcium- und Knochenstoffwechsels stellt die laborchemische Basisdiagnostik im Rahmen der Beurteilung des Skelettstatus mit zusätzlichem präventivem Nutzen bezüglich muskuloskelettaler Verletzungen dar. Ferner können muskuläre Serummarker, z. B. Laktatdehydrogenase (LDH), Kreatinkinase (CK), Myoglobin und Aspartat-Aminotransferase (ASAT), helfen, eine metabolische Adaptation an das physische Training festzustellen und Aussagen über die muskuläre Arbeitslast und mögliche Schädigungen zu gewinnen. Die Energieverfügbarkeit kann durch eine entsprechende Bilanzierung sowie die laborchemische Bestimmung der Makro- und Mikronährstoffe eingeschätzt und optimiert werden.

Schlussfolgerungen
Die labordiagnostische Untersuchung besitzt in der Betreuung von Athleten eine sportartenübergreifende klinische Relevanz. Sie dient der Erreichung einer höchstmöglichen Leistungsfähigkeit sowie optimalen Prävention von Knochen- und Muskelverletzungen, wobei sämtliche Mangelzustände (z. B. Vitamin D) ausgeglichen werden sollten. Durch eine Periodisierung der laborchemischen Untersuchungen, mit zumindest zwei Labordiagnostiken im Jahr, und Aufstellung individueller Variabilitäts- und Referenzbereiche kann ferner eine bessere Beurteilbarkeit erreicht werden.
Die optische Kohärenztomographie-Angiographie und Erkrankungen des kardiovaskulären Spektrums. Ein Überblick über die aktuelle Studienlage
Authors: Leclaire Martin Dominik , Eter Nicole , Alnawaiseh Maged 
Published: February 2021

Zusammenfassung
Hintergrund
Kardiovaskuläre Erkrankungen (KVE) sind die Haupttodesursache weltweit. Die Beobachtbarkeit von Veränderungen der retinalen Gefäße im Zusammenhang mit KVE mittels Fundoskopie ist schon seit Langem bekannt. Ein neuartiges Verfahren zur nichtinvasiven und detaillierten Darstellung und Quantifizierung der retinalen und papillären Gefäße stellt die optische Kohärenztomographie-Angiographie (OCT-A) dar. Durch die OCT‑A ist es möglich, Gefäßveränderungen einfach und gut reproduzierbar zu visualisieren, weswegen ihr Einsatz nicht nur auf augenärztliche Fragestellungen beschränkt ist. In den vergangenen Jahren sind einige experimentelle und klinische Studien zur Darstellbarkeit und Quantifizierung von Gefäßveränderungen durch die OCT‑A bei Erkrankungen des kardiovaskulären Spektrums publiziert worden. In der vorliegenden Übersicht werden die wichtigsten Erkenntnisse aus diesen Studien zusammengefasst.

Methoden
Grundlage dieser Arbeit bilden eine umfassende selektive Literaturrecherche und die Darstellung eigener Daten.

Ergebnisse
Mittlerweile liegen zu vielen Erkrankungen des kardiovaskulären Spektrums OCT-A-Studien vor, die verdeutlichen, dass systemische Gefäßerkrankungen mit Veränderungen der retinalen Mikrozirkulation verbunden sind. Mit der OCT‑A können diese Veränderungen visualisiert und reproduzierbar quantifiziert werden. Oftmals ist es möglich, subklinische Veränderungen aufzuzeigen, bevor die zugrunde liegende Erkrankung anderweitig messbare Veränderungen oder für den Patienten merkbare Symptome verursacht.

Schlussfolgerung
Die OCT‑A ist eine vielversprechende Bildgebungsmethode auf dem Gebiet der KVE in Wissenschaft und klinischer Anwendung. Sie kann zur Diagnostik und Quantifizierung retinaler Gefäßveränderungen eingesetzt werden. Weitere Studien werden zeigen, ob die OCT‑A bei der Einschätzung des individuellen kardiovaskulären Risikoprofils helfen kann.
Biventricular function in exercise during autonomic (thoracic epidural) block
Authors: Wink Jeroen , Steendijk Paul , Tsonaka Roula , de Wilde Rob B. P. , Friedericy Hans J. , Braun Jerry , Veering Bernadette Th. , Aarts Leon P. H. J. , Wouters Patrick F. 
Published: February 2021

AbstractBackgroundBlockade of cardiac sympathetic fibers by thoracic epidural anesthesia (TEA) was previously shown to reduce right and left ventricular systolic function and effective pulmonary arterial elastance. At conditions of constant paced heart rate, cardiac output and systemic hemodynamics were unchanged. In this study, we further investigated the effect of cardiac sympathicolysis during physical stress and increased oxygen demand.MethodsIn a cross-over design, 12 patients scheduled to undergo thoracic surgery performed dynamic ergometric exercise tests with and without TEA. Hemodynamics were monitored and biventricular function was measured by transthoracic two-dimensional and M-mode echocardiography, pulsed wave Doppler and tissue Doppler imaging.ResultsTEA attenuated systolic RV function (TV Sʹ: − 21%,P < 0.001) and LV function (MV Sʹ: − 14%,P = 0.025), but biventricular diastolic function was not affected. HR (− 11%,P < 0.001), SVI (− 15%,P = 0.006), CI (− 21%,P < 0.001) and MAP (− 12%,P < 0.001) were decreased during TEA, but SVR was not affected. Exercise resulted in significant augmentation of systolic and diastolic biventricular function. During exercise HR, SVI, CI and MAP increased (respectively, + 86%, + 19%, + 124% and + 17%, allP < 0.001), whereas SVR decreased (− 49%,P < 0.001). No significant interactions between exercise and TEA were found, except for RPP (P = 0.024) and MV E DT (P = 0.035).ConclusionCardiac sympathetic blockade by TEA reduced LV and RV systolic function but did not significantly blunt exercise-induced increases in LV and RV function. These data indicate that additional mechanisms besides those controlled by the cardiac sympathetic nervous system are involved in the regulation of cardiac function during dynamic exercise.Trial registrationClinical trial registration: Nederlands Trial Register, NTR 4880http://www.trialregister.nl/trialreg/admin/rctview.asp?TC=4880.