bluuebunny/crossref_metadata_2025 huggingface dataset:
Ultrafast charge separation in a WC@C/CdS heterojunction enables efficient visible-light-driven hydrogen generation
Authors: Chen Lu , Chen Feng , Ying Shaoming , Liang Ruowen , Yan Guiyang , Wang Xuxu , Xia Yuzhou
Published: December 2022

A WC@C/CdS sample achieved an average hydrogen production rate as high as 8.84 mmol g−1 h−1, which was about 21 and 31 times higher than those of pristine CdS and 7 wt% Pt/CdS. Its apparent quantum yield reached 55.3% at 420 nm.
LaCo1−x−yCuxTiyO3/KIT-6 perovskites: synthesis and catalytic behavior in syngas conversion to higher alcohols
Authors: Dokuchits Eugene V. , Kardash Tatyana Yu. , Larina Tatyana V. , Bespalko Yuliya N. , Minyukova Tatyana P.
Published: December 2022

The cationic composition of perovskites determines their textural properties. The selectivity for alcohols in syngas conversion increases up to nCo/nCu = 1 ratio.
N2 solar activation: ammonia as a hydrogen vector for energy storage
Authors: Rizzato Lorenzo , Cavazzani Jonathan , Osti Andrea , Glisenti Antonella
Published: December 2022

In this work, various types of layered double hydroxides were evaluated as novel catalysts for photo-assisted dinitrogen fixation.
Strain-triggered acidification in a double-network hydrogel enabled by multi-functional transduction of molecular mechanochemistry
Authors: Ouchi Tetsu , Bowser Brandon H. , Kouznetsova Tatiana B. , Zheng Xujun , Craig Stephen L.
Published: December 2022

Stretching or striking a hydrogel results in its acidification by up to 2 pH units. The mechanically robust hydrogel offers promise as a synthetic platform for mechanically adaptive aqueous systems.
Phosphorescent cyclometalated Ir(iii) complexes comprising chelating thiolate ligands as pH-activatable sensors
Authors: Paziresh Sareh , Aghakhanpour Reza Babadi , Shahsavari Hamid R. , Dolatyari Vahideh , Ara Irene , Nabavizadeh S. Masoud
Published: December 2022

A series of bis-cyclometalated Ir(iii) complexes comprising several thiolate ligands are prepared and their luminescence properties and pH sensitivities are investigated.
Enhancing the stability of poly(ionic liquids)@MOFs@COFs via core–shell protection strategy for 99TcO4− sequestration
Authors: Di Zhengyi , Liu Zhao-Fei , Li Hai-Ruo , Liu Zhong , Li Cheng-Peng
Published: December 2022

The core–shell polyILs@MOF@COF shows stability in both alkaline and acid solutions and superior ReO4−/TcO4− sequestration from the simulated nuclear waste.
Electrode/electrolyte additives for practical sodium-ion batteries: a mini review
Authors: Huang Zhi-Xiong , Zhang Xue-Li , Zhao Xin-Xin , Zhao Yuan-Yuan , Aravindan Vanchiappan , Liu Yu-Hang , Geng Hongbo , Wu Xing-Long
Published: December 2022

Problems of practical sodium-ion batteries.
Rhodium-catalyzed migrative annulation and olefination of 2-aroylpyrroles with diazoesters
Authors: Strashkov Daniil M. , Zavyalov Kirill V. , Sakharov Pavel A. , Agafonova Anastasiya V. , Rostovskii Nikolai V. , Khlebnikov Alexander F. , Novikov Mikhail S.
Published: December 2022

An unprecedented Rh2(OAc)4-catalyzed domino reaction of diazoesters with 2-aroylpyrroles involves four catalytic cycles and can be applied for the synthesis of pyrrolo[1,2-c][1,3]oxazin-1-ones and 2-(pyrrol-2-yl)cinnamate esters.
A highly stable room temperature titania nanostructure-based thin film transistor (TFT) alcohol sensor
Authors: Singh Aditya Kumar , Bhowmik Basanta
Published: December 2022

The present study is concerned with the room temperature field-induced alcohol sensitivity of nanostructured TiO2 thin films in field-effect transistor (TFT) configurations.
A thermoelectric energy harvesting system for pavements with a fin cooling structure
Authors: Wei Jian , Hui Jiawei , Wang Taotao , Wang Yuan , Guo Yupeng , Zhang Siqing , Zhang Yanbin , Qiao Xinyu
Published: December 2022

A multi-layer structured thermoelectric energy harvesting system for road applications that collects heat from the road and converts it into electricity.
Solvate ionic liquid-derived solid polymer electrolyte with lithium bis(oxalato) borate as a functional additive for solid-state lithium metal batteries
Authors: Yuan Yan , Peng Xiuping , Wang Bin , Xue Kesi , Li Zhengqian , Ma Yitian , Zheng Bin , Song Yonghui , Lu Hai
Published: December 2022

A novel solvate ionic liquid-derived solid polymer electrolyte was constructed for lithium metal batteries by incorporating a [Li(G4)1][TFSI] solution containing LiBOB as a functional additive into the PVDF-HFP matrix.
An upconversion nanoparticle-integrated fibrillar scaffold combined with a NIR-optogenetic strategy to regulate neural cell performance
Authors: Wu Chengheng , Su Borui , Xin Nini , Tang Jiajia , Xiao Jiamei , Luo Hongrong , Wei Dan , Luo Fang , Sun Jing , Fan Hongsong
Published: December 2022

By integrating upconversion nanoparticles (UCNPs) with a bioactive scaffold with an oriented fibrillar structure, the NIR-responsive neuro-matrix interface is generated to activate light-sensitive protein CatCh for optogenetic neurogenesis regulation.
Assembly of chemically modified protein nanocages into 3D materials for the adsorption of uremic toxins
Authors: Böhler Hendrik , Orth-Alampour Setareh , Baaten Constance , Riedner Maria , Jankowski Joachim , Beck Tobias
Published: December 2022

Protein-based adsorber materials with defined morphology for the removal of uremic toxins.
Microstructure and electrical transport properties of nanoscale [(CO40Fe40B20)34(SiO2)66/(In2O3)/C]46 multilayers
Authors: Peshkov Yaroslav A. , Ivkov Sergey A. , Lenshin Alexander S. , Sitnikov Alexander V. , Yurakov Yury A.
Published: December 2022

We investigated the role of microstructure and In2O3/C interlayer thickness on the electrical transport properties of [(Co40Fe40B20)34(SiO2)66/(In2O3)/C]46 multilayers prepared using ion-beam sputtering. These multilayers were characterized using an X-ray diffraction, X-ray reflectivity, impedance spectroscopy, and magnetoresistive measurements. The X-ray diffraction data showed that regardless of the layer thickness, all components of the multilayers are X-ray amorphous. Fitting X-ray reflectivity data, multilayer periodicities are extracted and layers thicknesses, densities and roughnesses are determined. Impedance spectroscopy has shown a resistive-capacitive coupling between electrically conductive ferromagnetic CoFeB clusters which corresponds to the model of a prepercolation composite. For the thinnest multilayer with nonmagnetic In2O3/C interlayer thickness of about 1.6 nm, we managed to achieve a magnetoresistance of about 0.8% at room temperature and 3.2% at cryogenic temperature.
Neural network modeling of bismuth-doped fiber amplifier
Authors: Donodin Aleksandr , de Moura Uiara Celine , Brusin Ann Margareth Rosa , Manuylovich Egor , Dvoyrin Vladislav , Da Ros Francesco , Carena Andrea , Forysiak Wladek , Zibar Darko , Turitsyn Sergei K.
Published: December 2022

Bismuth-doped fiber amplifiers offer an attractive solution for meeting continuously growing enormous demand on the bandwidth of modern communication systems. However, practical deployment of such amplifiers require massive development and optimization efforts with the numerical modeling being the core design tool. The numerical optimization of bismuth-doped fiber amplifiers is challenging due to a large number of unknown parameters in the conventional rate equations models. We propose here a new approach to develop a bismuth-doped fiber amplifier model based on a neural network purely trained with experimental data sets in E- and S-bands. This method allows a robust prediction of the amplifier operation that incorporates variations of fiber properties due to manufacturing process and any fluctuations of the amplifier characteristics. Using the proposed approach the spectral dependencies of gain and noise figure for given bi-directional pump currents and input signal powers have been obtained. The low mean (less than 0.19 dB) and standard deviation (less than 0.09 dB) of the maximum error are achieved for gain and noise figure predictions in the 1410–1490 nm spectral band.
Polypharmazie – Interaktionen bei älteren Menschen
Authors: Cascorbi Ingolf
Published: December 2022

Thrombozytenaggregationshemmer und Antikoagulanzien sind wichtige Standardmedikationen in der Prophylaxe und Therapie kardiovaskulärer Erkrankungen. Die oft multiple Medikation und durch
zusätzliche Begleiterkrankungen notwendige weitere Medikation birgt besonders bei älteren Patienten ein hohes Risiko von Arzneimittelwechselwirkungen. Diese können das Blutungsrisiko oder im
Fall des Wirkungsverlusts das Risiko thromboembolischer Ereignisse erhöhen. In diesem Artikel werden klinisch relevante Interaktionen von COX-Hemmern (COX: Cyclooxygenase) und
Adenosinrezeptorantagonisten sowie von Vitamin-K-Antagonisten und direkten oralen Antikoagulanzien (DOAK) wie auch Strategien zur Vermeidung unerwünschter Wirkungen diskutiert.
Gerinnungsmanagement in der schweren, fortgeschrittenen Niereninsuffizienz
Authors: Schettler Volker , Schlieper Georg
Published: December 2022

Patienten mit chronischer Niereninsuffizienz (CKD) haben ein hohes Risiko für nicht valvuläres Vorhofflimmern (NVAF) und häufig ein höheres Risiko für venöse Thromboembolien (VTE) aufgrund
ihrer Grunderkrankungen wie z. B. Diabetes. Bisher kamen Vitamin-K-Antagonisten (VKA) auch bei diesen Patienten in Deutschland zum Einsatz. VKA haben ein erhöhtes Blutungsrisiko und werden
als Risikofaktor für eine Verschlechterung der Nierenfunktion und/oder Gefäßsituation (Athero- und Mediasklerose) von Patienten diskutiert. Aus diesen Gründen und den vorliegenden
Studiendaten werden deshalb direkt wirkende orale Antikoagulanzien (DOAC) auch bei Patienten mit NVAF und CKD (G1–G3) in den Leitlinien empfohlen. Allerdings kann keine klare Empfehlung für
den Einsatz von DOAC bei Dialysepatienten gegeben werden. Heparine spielen in diesem Zusammenhang nur eine untergeordnete Rolle.
Thalidomid-Embryopathie 60 Jahre
Authors: Passarge Eberhard
Published: December 2022

Diese Rückschau beschreibt die wesentlichen Vorgänge bei der Erkennung der Thalidomid-Embryopathie vor rund 60 Jahren. Die systematische Analyse eines breiten Spektrums von angeborenen Fehlbildungen zahlreicher Organsysteme definiert dieses von 1959 bis 1962 gehäuft aufgetretene Krankheitsbild. Mehr als 5000 geschädigte Menschen wurden in der Bundesrepublik Deutschland beobachtet, weltweit mindestens 10 000. Heute leben in Deutschland noch etwa 2400 betroffene Erwachsene. Zahlreiche Spätfolgen mit chronischen Schmerzzuständen führen zu verminderter Lebensqualität. Im Gegensatz zu Europa und Kanada trat in den USA die Thalidomid-Embryopathie nicht gehäuft auf. Eine aufmerksame Ärztin am FDA verhinderte die Zulassung. Auch in der DDR wurde Thalidomid nicht vertrieben.
Der interventionelle Vorhofohrverschluss: eine Alternative zur oralen Antikoagulation
Authors: Omran Heyder , Büllesfeld Lutz , Heinrich Jaroslaw
Published: December 2022

Die orale Antikoagulation ist der Standard zur Prävention von Embolien bei Patienten mit Vorhofflimmern. Der interventionelle Vorhofohrverschluss ist eine Alternative zur oralen
Antikoagulation bei Patienten mit Vorhofflimmern und Kontraindikationen oder Unverträglichkeiten einer oralen Antikoagulation, insbesondere bei klinisch relevanten Blutungen. Die Sicherheit
des Verfahrens hat in den letzten Jahren erheblich zugenommen. Mehrere große randomisierte Studien vergleichen aktuell die Effektivität und Sicherheit der oralen Antikoagulation und des
interventionellen Vorhofohrverschlusses.
Challenging the linearity assumption of intra-brand image confusion
Authors: Grimm Malek Simon , Wagner Ralf
Published: December 2022

The purpose of this study is to clarify and consolidate the components and consequences of intra-brand image confusion (IBIC). In addition to validating previous research results on IBIC in a fresh context (different product category with its brands), this study challenges the linearity assumption usually underlying studies of branding impacts and IBIC. A national representative online survey was conducted in the United Kingdom investigating the smartphone market. Explorative factor analyses were conducted in order to assess the components of IBIC. Structural equation modeling reveals the extent and consequences of IBIC. Multiple regressions were conducted to further explore non-linear response at the sub-domain and higher-order construct level. The results confirm and solidify previous results on the relevance of the construct of IBIC. This study supports the relevance of intra-brand image confusion’s three components. A novel contribution arises from the fact that customers with a moderate involvement level are more confused than people with lower involvement levels. A U-shaped response indicates that lower involved prospective customers are at higher risk of a confusion by too broad assortments. Brand managers are well advised to pay strong attention to the structure of an assortment and to sub-brands to prevent the occurrence of an IBIC.
Polar graphene for point-source carbon capture
Authors: Thompson Avery
Published: December 2022

Cationic nitrogen doping improves the selectivity of porous 3D graphene for carbon dioxide.
Advances in nanomedicine hold promise for diagnosis and treatment of atherosclerosis
Authors: Liebendorfer Adam
Published: December 2022

Emerging techniques with organic nanoparticles provide a path forward for better detection and targeted treatment of atherosclerotic plaques.
Study of trioleoylglycerol two-layer and adiposome cross-section mimicking four-layer systems through atomic-level simulations
Authors: Mirza Ahmed Hammad
Published: December 2022

Adiposomes are artificially prepared lipid droplet (LD)-mimetic structures, which, unlike LDs, do not harbor proteins. The dynamics of interaction between triacylglycerols (TAGs), drug molecule, and phospholipids in adiposomes is currently not well-established. Trioleoylglycerol (TOG) molecule was divided into three parts: two oleoyl tails and one 2-monooleoylglycerol (MOG). Forcefield parameters for two oleoyl tails were adopted from the AMBER18 repository while that of the MOG forcefield was taken from the literature. Charge correction was performed on the MOG forcefield before its utilization. After charge correction, the resulting TOG molecule had zero charge. TOG bilayer (2L) and tetralayer (4L) systems were prepared and simulated. TOG bilayer (2L) systems—modeled from two different initial conformations, the TOG3 conformation and the TOG2:1 conformation—showed that TOG2:1 conformation was more prevailing irrespective of the starting conformation and was subsequently used in further simulations. The hydrated TOG 2L system showed TOG–water solution solubility of 0.051 mol L−1 which is near experimental values. This validated the correct parameterization of the TOG molecule. The simulations of 4L systems showed stable membrane behaviors toward the end of simulations. It was also observed that in the 4L system, the TOG molecules showed the formation of micelles with the drug molecule. Almost six TOGs remained continuously in contact with the drug molecule throughout the simulation. The availability of charge-corrected TOG parameterization is expected to equip future studies with a framework for molecular dynamics simulations of adiposomes and/or LDs at the atomic level.
Atomically thin interlayer phase from first principles enables defect-free incommensurate SnO2/CdTe interface
Authors: Sharan Abhishek , Nardone Marco , Krasikov Dmitry , Singh Nirpendra , Lany Stephan
Published: December 2022

Advancing optoelectronic and emerging technologies increasingly requires control and design of interfaces between dissimilar materials. However, incommensurate interfaces are notoriously defective and rarely benefit from first-principles predictions, because no explicit atomic-structure models exist. Here, we adopt a bulk crystal structure prediction method to the interface geometry and apply it to SnO2/CdTe heterojunctions without and with the addition of CdCl2, a ubiquitous and beneficial, but abstruse processing step in CdTe photovoltaics. Whereas the direct SnO2/CdTe interface is highly defective, we discover a unique two-dimensional CdCl2 interphase, unrelated to the respective bulk structure. It facilitates a seamless transition from the rutile to zincblende lattices and removes defect-states from the interface bandgap. Implementing the predicted interface electronic structure in device simulations, we demonstrate the theoretical feasibility of bufferless oxide-CdTe heterojunction solar cells approaching the Shockley–Queisser limit. Our results highlight the broader potential of designing atomically thin interlayers to enable defect-free incommensurate interfaces.
An ultrahigh performance laser driver based on novel composite topology enhanced Howland current Source
Authors: Yang A. Derui , Xia B. Shiyi , Ouyang C. Longtian , Hou D. Weigang , Guo E. Lei
Published: December 2022

Laser diodes (LDs) are used in a wide range of applications, such as optical wireless communications and LIDAR. To meet the demanding requirements of LDs for high accuracy and stability of the injection current, a high-precision, high stability LD driver with overvoltage protection is proposed. A novel structure based on enhanced Howland current source is described: composite topology enhanced Howland current source (CTEHCS), which has the advantages of high precision, high stability, and extensive regulation range. A 20-bit DAC and high-precision reference source are used to form a front-stage DAC circuit for precise and stable voltage reference. A closed-loop feedback calibration loop is applied to eliminate significantly the absolute errors and auxiliary calibrating of the effect of power operational amplifier on the temperature rise of critical devices. An innovative overvoltage protection circuit is designed for the load side of the CTEHCS, and the protection range can be flexibly set to 4/5/6 V to avoid damage to loads such as LDs. The noise performance, accuracy and stability, modulation bandwidth, nonlinear error, overvoltage protection performance, and turn-on and turn-off time of the experimental prototype are described in detail.
Hematocrit skewness along sequential bifurcations within a microfluidic network induces significant changes in downstream red blood cell partitioning
Authors: Pskowski Andrew , Bagchi Prosenjit , Zahn Jeffrey D.
Published: December 2022

There has been a wealth of research conducted regarding the partitioning of red blood cells (RBCs) at bifurcations within the microvasculature. In previous studies, partitioning has been characterized as either regular partitioning, in which the higher flow rate daughter channel receives a proportionally larger percentage of RBCs, or reverse partitioning, in which the opposite occurs. While there are many examples of network studies in silico, most in vitro work has been conducted using single bifurcation. When microfluidic networks have been used, the channel dimensions are typically greater than 20 μm, ignoring conditions where RBCs are highly confined. This paper presents a study of RBC partitioning in a network of sequential bifurcations with channel dimensions less than 8 μm in hydraulic diameter. The study investigated the effect of the volumetric flow rate ratio (Q*) at each bifurcation, solution hematocrit, and channel length on the erythrocyte flux ratio (N*), a measure of RBC partitioning. We report significant differences in partitioning between upstream and downstream bifurcations even when the flow rate ratio remains the same. Skewness analysis, a measure of cell distribution across the width of a vessel, strongly suggests that immediately following the first bifurcation most RBCs are skewed toward the inner channel wall, leading to preferential RBC perfusion into one daughter channel at the subsequent bifurcation even at higher downstream flow rate ratios. The skewness of RBC distribution following the first bifurcation can either manifest as enhanced regular partitioning or reverse partitioning at the succeeding branch.
Weighted ensemble: Recent mathematical developments
Authors: Aristoff D. , Copperman J. , Simpson G. , Webber R. J. , Zuckerman D. M.
Published: December 2022

Weighted ensemble (WE) is an enhanced sampling method based on periodically replicating and pruning trajectories generated in parallel. WE has grown increasingly popular for computational biochemistry problems due, in part, to improved hardware and accessible software implementations. Algorithmic and analytical improvements have played an important role, and progress has accelerated in recent years. Here, we discuss and elaborate on the WE method from a mathematical perspective, highlighting recent results that enhance the computational efficiency. The mathematical theory reveals a new strategy for optimizing trajectory management that approaches the best possible variance while generalizing to systems of arbitrary dimension.
Nonequilibrium Casimir–Lifshitz friction force and anomalous radiation heating of a small particle
Authors: Dedkov G. V.
Published: December 2022

This paper presents the results of calculating the Casimir–Lifshitz friction force and the heating rate of a small metal particle moving above a metal surface (thick plate) in the case of their different local temperatures. The case of normal nonmagnetic metals (Au) is considered. There is a strong interplay of temperatures, particle velocity, and separation distance, which leads to an anomalous direction of the heat flow between bodies and a peak temperature dependence of the friction force at sufficiently low temperatures of the order of 1–10 K. In particular, a “hot” moving particle can additionally receive heat from a “cold” surface. The conditions for experimental measurement of these effects are discussed.
Dissipation driven degeneracies
Authors: Phani A. Srikantha
Published: December 2022

Dissipation alone can produce counterintuitive topological wave transport that is otherwise absent in a non-dissipative system. This work demonstrates the influence of dissipation on degeneracies that arise in the context of elastic wave transport. The conditions on the parameters necessary to observe non-Hermitian degeneracies in the Bloch spectrum are precisely derived. It will be shown—contrary to the expectation from singularity theory of a linear eigenvalue problem—that a proportionally damped system with commutative damping does not exhibit non-Hermitian degeneracies. The necessity of a non-commutative and non-proportional dissipation model to observe non-Hermitian degeneracies (or exceptional points) is emphasized. Non-proportional dissipation is used to induce a non-Hermitian degeneracy in a local resonance sub-Bragg bandgap of a linear chain, without using negative damping. While Bloch waves are chosen to illustrate the influence of dissipation, the results readily extend to waves in non-periodic media as well as other wave and vibration transport problems.
Reconfigurable self-powered deep UV photodetectors based on ultrawide bandgap ferroelectric ScAlN
Authors: Mondal Shubham , Wang Ding , Wang Ping , Wu Yuanpeng , Hu Mingtao , Xiao Yixin , Mohanty Subhajit , Ma Tao , Ahmadi Elaheh , Mi Zetian
Published: December 2022

The efficient photoelectric conversion based on the ferroelectric property of a material has attracted widespread attention in advanced optoelectronic systems. Such an electrically reconfigurable photovoltaic effect offers a unique opportunity for the development of self-powered ultraviolet (UV) photodetectors for a broad range of applications from the military to human health and the environment. To date, however, the low performance metrics of such photodetectors have hindered their integration with existing platforms. By exploring the unique optoelectronic properties of an ultrawide bandgap nitride ferroelectric (ScAlN), we demonstrate, for the first time, polarization dependent high-performance self-powered deep UV photodetectors. The responsivity at 193 nm illumination reached up to a maximum of 15 mA/W with a detectivity of 1.2 × 1011 Jones at an extremely low illumination intensity of 0.12 mW/cm2. Furthermore, the photodetectors exhibit wake-up free and reconfigurable photo-response, and fast and stable switching response time (<0.06 s) with excellent rejection to UV-A and visible illumination. The significant findings related to the growth, fabrication, and characterization reported in this work construct a viable route to realize unprecedentedly high performance self-powered ferroelectric UV photodetectors toward energy-efficient applications.
Local cation order and ferrimagnetism in compositionally complex spinel ferrites
Authors: Wang Xin , Musicó Brianna L. , Kons Corisa , Metz Peter C. , Keppens Veerle , Gilbert Dustin A. , Zhang Yuanpeng , Page Katharine
Published: December 2022

We present an exploration of a family of compositionally complex cubic spinel ferrites featuring combinations of Mg, Fe, Co, Ni, Cu, Mn, and Zn cations, systematically investigating the average and local atomic structures, chemical short-range order, magnetic spin configurations, and magnetic properties. All compositions result in ferrimagnetic average structures with extremely similar local bonding environments; however, the samples display varying degrees of cation inversion and, therefore, differing apparent bulk magnetization. Additionally, first-order reversal curve analysis of the magnetic reversal behavior indicates varying degrees of magnetic ordering and interactions, including potentially local frustration. Finally, reverse Monte Carlo modeling of the spin orientation demonstrates a relationship between the degree of cation inversion and the spin collinearity. Collectively, these observations correlate with differences in synthesis procedures. This work provides a framework for understanding magnetic behavior reported for “high-entropy spinels,” revealing many are likely compositionally complex oxides with differing degrees of chemical short-range order—not meeting the community established criteria for high or medium entropy compounds. Moreover, this work highlights the importance of reporting complete sample processing histories and investigating local to long-range atomic arrangements when evaluating potential entropic mixing effects and assumed property correlations in high entropy materials.
Spin Hall magnetoresistance in Pt/Y3Fe5O12 bilayers grown on Si and Gd3Ga5O12 substrates
Authors: Fukushima Kenta , Ueda Kohei , Moriuchi Naoki , Kida Takanori , Hagiwara Masayuki , Matsuno Jobu
Published: December 2022

We study spin Hall magnetoresistance (SMR) in Pt/ferrimagnetic insulator Y3Fe5O12 (YIG) bilayers by focusing on crystallinity, magnetization, and interface roughness by controlling post-annealing temperatures. The SMR in the Pt/YIG grown on Si substrate is comparable to that grown on widely used Gd3Ga5O12 substrate, indicating that the large SMR can be achieved irrespective of the crystallinity. We deduced the spin mixing conductance from the Pt thickness dependence of the SMR to find the high interface quality of the optimized Pt/YIG grown on Si in terms of spin current. We also clarified that the SMR correlates well with the magnetization, the interface roughness, and carrier density. These findings highlight that optimizing YIG properties is a key to control of magnetization by spin current, leading to the development of the low power consumption spintronic device based on the magnetic insulator.
Macroscopic quantum electrodynamics approach to multichromophoric excitation energy transfer. II. Polariton-mediated population dynamics in a dimer system
Authors: Chuang Yi-Ting , Wang Siwei , Hsu Liang-Yan
Published: December 2022

In this study, based on the theory developed in Paper I, we explore the combined effects of molecular fluorescence and excitation energy transfer in a minimal model—a pair of single-vibration-mode chromophores coupled to surface plasmon polaritons. For the chromophores with zero Huang–Rhys factors and strong couplings to surface plasmon polaritons, we find that the frequencies of Rabi oscillations (the strengths of strong light–matter couplings) are associated with the initial excitation conditions. On the other hand, for the chromophores weakly coupled to surface plasmon polaritons, our numerical calculations together with analytical analysis elaborate on the conditions for the superradiant and subradiant decay behaviors. Moreover, we show that the modified decay rate constants can be explicitly expressed in terms of generalized spectral densities (or dyadic Green’s functions), revealing a relationship between photonic environments and the collective effects such as superradiance and subradiance. For the chromophores with nonzero Huang–Rhys factors and strong coupling to surface plasmon polaritons, the effects of molecular vibrations emerge. We demonstrate that the low-frequency vibrational modes do not affect the excited state population dynamics, while the high-frequency vibrational modes can modify either the period of Rabi oscillation (Franck–Condon Rabi oscillation) or the amplitude of excited state population. Our study shows that the collective effects, including superradiance and subradiance, can be controlled via dielectric environments and initial excitation conditions, providing new insights into polariton chemistry and the design of quantum optical devices.
Quantum embedding of multi-orbital fragments using the block-Householder transformation
Authors: Yalouz Saad , Sekaran Sajanthan , Fromager Emmanuel , Saubanère Matthieu
Published: December 2022

Recently, some of the authors introduced the use of the Householder transformation as a simple and intuitive method for embedding local molecular fragments [see Sekaran et al., Phys. Rev. B 104, 035121 (2021) and Sekaran et al., Computation 10, 45 (2022)]. In this work, we present an extension of this approach to the more general case of multi-orbital fragments using the block version of the Householder transformation applied to the one-body reduced density matrix, unlocking the applicability to general quantum chemistry/condensed matter physics Hamiltonians. A step-by-step construction of the block Householder transformation is presented. Both physical and numerical areas of interest of the approach are highlighted. The specific mean-field (noninteracting) case is thoroughly detailed as it is shown that the embedding of a given N spin–orbital fragment leads to the generation of two separated sub-systems: (1) a 2N spin–orbitals “fragment+bath” cluster that exactly contains N electrons and (2) a remaining cluster’s “environment” described by so-called core electrons. We illustrate the use of this transformation in different cases of embedding scheme for practical applications. We particularly focus on the extension of the previously introduced Local Potential Functional Embedding Theory and Householder-transformed Density Matrix Functional Embedding Theory to the case of multi-orbital fragments. These calculations are realized on different types of systems, such as model Hamiltonians (Hubbard rings) and ab initio molecular systems (hydrogen rings).
Spectrally stable nitrogen-vacancy centers in diamond formed by carbon implantation into thin microstructures
Authors: Yurgens V. , Corazza A. , Zuber J. A. , Gruet M. , Kasperczyk M. , Shields B. J. , Warburton R. J. , Fontana Y. , Maletinsky P.
Published: December 2022

The nitrogen-vacancy center (NV) in diamond, with its exceptional spin coherence and convenience in optical spin initialization and readout, is increasingly used both as a quantum sensor and as a building block for quantum networks. Employing photonic structures for maximizing the photon collection efficiency in these applications typically leads to broadened optical linewidths for the emitters, which are commonly created via nitrogen ion implantation. With studies showing that only native nitrogen atoms contribute to optically coherent NVs, a natural conclusion is to either avoid implantation completely or substitute nitrogen implantation by an alternative approach to vacancy creation. Here, we demonstrate that implantation of carbon ions yields a comparable density of NVs as implantation of nitrogen ions and that it results in NV populations with narrow optical linewidths and low charge-noise levels even in thin diamond microstructures. We measure a median NV linewidth of 150 MHz for structures thinner than 5 μm, with no trend of increasing linewidths down to the thinnest measured structure of 1.9 μm. We propose a modified NV creation procedure in which the implantation is carried out after instead of before the diamond fabrication processes and confirm our results in multiple samples implanted with different ion energies and fluences.
Impact of layer thickness on the operating characteristics of In2O3/ZnO heterojunction thin-film transistors
Authors: AlGhamdi Wejdan S. , Fakieh Aiman , Faber Hendrik , Lin Yen-Hung , Lin Wei-Zhi , Lu Po-Yu , Liu Chien-Hao , Salama Khaled Nabil , Anthopoulos Thomas D.
Published: December 2022

Combining low-dimensional layers of dissimilar metal oxide materials to form a heterojunction structure offers a potent strategy to improve the performance and stability of thin-film transistors (TFTs). Here, we study the impact of channel layer thicknesses on the operating characteristics of In2O3/ZnO heterojunction TFTs prepared via sputtering. The conduction band offset present at the In2O3/ZnO heterointerface affects the device's operating characteristics, as is the thickness of the individual oxide layers. The latter is investigated using a variety of experimental and computational modeling techniques. An average field-effect mobility (μFE) of >50 cm2 V−1 s−1, accompanied by a low threshold voltage and a high on/off ratio (∼108), is achieved using an optimal channel configuration. The high μFE in these TFTs is found to correlate with the presence of a quasi-two-dimensional electron gas at the In2O3/ZnO interface. This work provides important insight into the operating principles of heterojunction metal oxide TFTs, which can aid further developments.
Effect of electrically induced cracks on the properties of PZT thin film capacitors
Authors: Kuentz Hugo , Wagué Baba , Vaxelaire Nicolas , Demange Valérie , Poulain Christophe , Guilloux-Viry Maryline , Le Rhun Gwenael
Published: December 2022

We present a study of the effect of electrically induced cracks on both the ferroelectric and piezoelectric properties of Pt/PbZr0.52Ti0.48O3 (PZT)/Pt capacitors and correlations with domain structures of PZT films. Above a threshold bipolar electric field, cracks appear inside the PZT layer thickness leading to an increase in the ferroelectric polarization (+50% for the remnant polarization, from 16 to 25 μC/cm2) and the longitudinal piezoelectric coefficient d33,f (from ∼150 to ∼220 pm/V). The use of x-ray diffraction during in situ biasing provides direct evidence for a modification of the PZT crystalline structure as well as the a/c domain configuration. After cracking, the fraction of c-domains is strongly increased, thus contributing to higher polarization and larger strain in the out-of-plane direction.
First encounters on Watts–Strogatz networks and Barabási–Albert networks
Authors: Yuan Zhenhua , Chen Yongjin , Gao Long , Peng Junhao
Published: December 2022

The Watts–Strogatz networks are important models that interpolate between regular lattices and random graphs, and Barabási–Albert networks are famous models that explain the origin of the scale-free networks. Here, we consider the first encounters between two particles (e.g., prey A and predator B) embedded in the Watts–Strogatz networks and the Barabási–Albert networks. We address numerically the mean first-encounter time (MFET) while the two particles are moving and the mean first-passage time (MFPT) while the prey is fixed, aiming at uncovering the impact of the prey’s motion on the encounter time, and the conditions where the motion of the prey would accelerate (or slow) the encounter between the two particles. Different initial conditions are considered. In the case where the two particles start independently from sites that are selected randomly from the stationary distribution, on the Barabási–Albert networks, the MFET is far less than the MFPT, and the impact of prey’s motion on the encounter time is enormous, whereas, on the Watts–Strogatz networks (including Erdős-Rényi random networks), the MFET is about 0.5–1 times the MFPT, and the impact of prey’s motion on the encounter time is relatively small. We also consider the case where prey A starts from a fixed site and the predator starts from a randomly drawn site and present the conditions where the motion of the prey would accelerate (or slow) the encounter between the two particles. The relation between the MFET (or MFPT) and the average path length is also discussed.
Advances in imaging and treatment of atherosclerosis based on organic nanoparticles
Authors: Tu Shuangshuang , He Wenming , Han Jinru , Wu Aiguo , Ren Wenzhi
Published: December 2022

Atherosclerosis, a systemic chronic inflammatory disease, can lead to thrombosis and vascular occlusion, thereby inducing a series of serious vascular diseases. Currently, distinguishing unstable plaques early and achieving more effective treatment are the two main clinical concerns in atherosclerosis. Organic nanoparticles have great potential in atherosclerotic imaging and treatment, showing superior biocompatibility, drug-loading capacity, and synthesis. This article illustrates the process of atherosclerosis onset and the key targeted cells, then systematically summarizes recent progress made in organic nanoparticle-based imaging of different types of targeted cells and therapeutic methods for atherosclerosis, including optical and acoustic-induced therapy, drug delivery, gene therapy, and immunotherapy. Finally, we discuss the major impediments that need to be addressed in future clinical practice. We believe this article will help readers to develop a comprehensive and in-depth understanding of organic nanoparticle-based atherosclerotic imaging and treatment, thus advancing further development of anti-atherosclerosis therapies.
Strongly anisotropic ion emission in the expansion of Nd:YAG-laser-produced plasma
Authors: Poirier Lucas , Hemminga Diko J. , Lassise Adam , Assink Luc , Hoekstra Ronnie , Sheil John , Versolato Oscar O.
Published: December 2022

We present results from a combined experimental and numerical simulation study of the anisotropy of the expansion of a laser-produced plasma into vacuum. Plasma is generated by nanosecond Nd:YAG laser pulse impact (laser wavelength λ=1.064 μm) onto tin microdroplets. Simultaneous measurements of ion kinetic energy distributions at seven angles with respect to the direction of the laser beam reveal strong anisotropic emission characteristics, in close agreement with the predictions of two-dimensional radiation-hydrodynamic simulations. Angle-resolved ion spectral measurements are further shown to provide an accurate prediction of the plasma propulsion of the laser-impacted droplet.
Faster network disruption from layered oscillatory dynamics
Authors: Tyloo Melvyn
Published: December 2022

Nonlinear complex network-coupled systems typically have multiple stable equilibrium states. Following perturbations or due to ambient noise, the system is pushed away from its initial equilibrium, and, depending on the direction and the amplitude of the excursion, it might undergo a transition to another equilibrium. It was recently demonstrated [M. Tyloo, J. Phys. Complex. 3 03LT01 (2022)] that layered complex networks may exhibit amplified fluctuations. Here, I investigate how noise with system-specific correlations impacts the first escape time of nonlinearly coupled oscillators. Interestingly, I show that, not only the strong amplification of the fluctuations is a threat to the good functioning of the network but also the spatial and temporal correlations of the noise along the lowest-lying eigenmodes of the Laplacian matrix. I analyze first escape times on synthetic networks and compare noise originating from layered dynamics to uncorrelated noise.
Dip-and-pull ambient pressure photoelectron spectroscopy as a spectroelectrochemistry tool for probing molecular redox processes
Authors: Temperton Robert H. , Kawde Anurag , Eriksson Axl , Wang Weijia , Kokkonen Esko , Jones Rosemary , Gericke Sabrina Maria , Zhu Suyun , Quevedo Wilson , Seidel Robert , Schnadt Joachim , Shavorskiy Andrey , Persson Petter , Uhlig Jens
Published: December 2022

Ambient pressure x-ray photoelectron spectroscopy (APXPS) can provide a compelling platform for studying an analyte’s oxidation and reduction reactions in solutions. This paper presents proof-of-principle operando measurements of a model organometallic complex, iron hexacyanide, in an aqueous solution using the dip-and-pull technique. The data demonstrates that the electrochemically active liquid meniscuses on the working electrodes can undergo controlled redox reactions which were observed using APXPS. A detailed discussion of several critical experimental considerations is included as guidance for anyone undertaking comparable experiments.
Effects of surface air injection on the air stability of superhydrophobic surface under partial replenishment of plastron
Authors: Cho Wonhee , Heo Seongkwang , Lee Sang Joon
Published: December 2022

Frictional drag reduction using a superhydrophobic (SHPo) surface has attracted great attention due to its potential for practical application. Air plastron (i.e., pockets) trapped between structures in a submerged SHPo surface serves a crucial role in the drag reduction effect. However, the air plastron on the SHPo surface can easily be depleted by various factors, resulting in the deterioration of the drag reduction performance. This study proposed a surface air injection method to resolve the depletion problem and explored its effect on the enhancement of the air stability of the SHPo surface as a controllable strategy under partial replenishment conditions in which the replenishment rate is less than the depletion rate. An air injection layer is added to a ridged multi-layered SHPo (ML-SHPo) surface to supply air through the surface. The dynamic behavior of air plastron on the surface is directly visualized by an x-ray imaging technique. The temporal evolution of depletion length on the ridged ML-SHPo surface is monitored under laminar flows to understand the underlying basic physics of the enhanced air stability caused by surface air injection. The depletion rate of air plastrons on SHPo surfaces depended on the nondimensional air injection rate (Cq). The dynamic behavior in the air depletion regime is closely associated with flow condition and Cq. The stability of air plastrons is enhanced by 12%–87% as the Cq value increases. In addition, a simple scaling relationship between the depletion rate and Cq is proposed to predict the depletion rate of air plastrons (longevity) on ridged SHPo surfaces.
Topological defect-mediated morphodynamics of active–active interfaces
Authors: Zhang De-Qing , Chen Peng-Cheng , Li Zhong-Yi , Zhang Rui , Li Bo
Published: December 2022

Physical interfaces widely exist in nature and engineering. Although the formation of passive interfaces is well elucidated, the physical principles governing active interfaces remain largely unknown. Here, we combine simulation, theory, and cell-based experiment to investigate the evolution of an active–active interface. We adopt a biphasic framework of active nematic liquid crystals. We find that long-lived topological defects mechanically energized by activity display unanticipated dynamics nearby the interface, where defects perform “U-turns” to keep away from the interface, push the interface to develop local fingers, or penetrate the interface to enter the opposite phase, driving interfacial morphogenesis and cross-interface defect transport. We identify that the emergent interfacial morphodynamics stems from the instability of the interface and is further driven by the activity-dependent defect–interface interactions. Experiments of interacting multicellular monolayers with extensile and contractile differences in cell activity have confirmed our predictions. These findings reveal a crucial role of topological defects in active–active interfaces during, for example, boundary formation and tissue competition that underlie organogenesis and clinically relevant disorders.
Multiclonal human origin and global expansion of an endemic bacterial pathogen of livestock
Authors: Yebra Gonzalo , Harling-Lee Joshua D. , Lycett Samantha , Aarestrup Frank M. , Larsen Gunhild , Cavaco Lina M. , Seo Keun Seok , Abraham Sam , Norris Jacqueline M. , Schmidt Tracy , Ehlers Marthie M. , Sordelli Daniel O. , Buzzola Fernanda R. , Gebreyes Wondwossen A. , Gonçalves Juliano L. , dos Santos Marcos V. , Zakaria Zunita , Rall Vera L. M. , Keane Orla M. , Niedziela Dagmara A. , Paterson Gavin K. , Holmes Mark A. , Freeman Tom C. , Fitzgerald J. Ross
Published: December 2022

Most new pathogens of humans and animals arise via switching events from distinct host species. However, our understanding of the evolutionary and ecological drivers of successful host adaptation, expansion, and dissemination are limited.Staphylococcus aureusis a major bacterial pathogen of humans and a leading cause of mastitis in dairy cows worldwide. Here we trace the evolutionary history of bovineS. aureususing a global dataset of 10,254S. aureusgenomes including 1,896 bovine isolates from 32 countries in 6 continents. We identified 7 major contemporary endemic clones ofS. aureuscausing bovine mastitis around the world and traced them back to 4 independent host-jump events from humans that occurred up to 2,500 y ago. Individual clones emerged and underwent clonal expansion from the mid-19th to late 20th century coinciding with the commercialization and industrialization of dairy farming, and older lineages have become globally distributed via established cattle trade links. Importantly, we identified lineage-dependent differences in the frequency of host transmission events between humans and cows in both directions revealing high risk clones threatening veterinary and human health. Finally, pangenome network analysis revealed that some bovineS. aureuslineages contained distinct sets of bovine-associated genes, consistent with multiple trajectories to host adaptation via gene acquisition. Taken together, we have dissected the evolutionary history of a major endemic pathogen of livestock providing a comprehensive temporal, geographic, and gene-level perspective of its remarkable success.
Mycoviral gene integration converts a plant pathogenic fungus into a biocontrol agent
Authors: Liu Hong , Wang Hui , Liao Xiao Lan , Gao Bida , Lu Xun , Sun Donghui , Gong Weijie , Zhong Jie , Zhu Hongjian , Pan Xianting , Guo Li , Deng Xing Wang , Zhou Qian
Published: December 2022

Mycovirus-infected fungi can suffer from poor growth, attenuated pigmentation, and virulence. However, the molecular mechanisms of how mycoviruses confer these symptoms remain poorly understood. Here, we report a mycovirus Stemphylium lycopersici alternavirus 1 (SlAV1) isolated from a necrotrophic plant pathogen
Stemphylium lycopersici
that causes altered colony pigmentation and hypovirulence by specifically interfering host biosynthesis of Altersolanol A, a polyketide phytotoxin. SlAV1 significantly down-regulates a fungal polyketide synthase (
PKS1
), the core enzyme of Altersolanol A biosynthesis.
PKS1
deletion mutants do not accumulate Altersolanol A and lose pathogenicity to tomato and lettuce. Transgenic expression of SlAV1 open-reading frame 3 (ORF3) in
S. lycopersici
inhibits fungal
PKS1
expression and Altersolanol A accumulation, leading to symptoms like SlAV1-infected fungal strains. Multiple plant species sprayed with mycelial suspension of
S. lycopersici
or
S. vesicarium
strains integrating and expressing ORF3 display enhanced resistance against virulent strains, converting the pathogenic fungi into biocontrol agents. Hence, our study not only proves inhibiting a key enzyme of host phytotoxin biosynthesis as a molecular mechanism underlying SlAV1-mediated hypovirulence of
Stemphylium
spp., but also demonstrates the potential of mycovirus-gene integrated fungi as a potential biocontrol agent to protect plants from fungal diseases.