bluuebunny/crossref_metadata_2025_split huggingface dataset:
Associations Between Smoking and Primary Sjögren Syndrome Classification Using the Sjögren's International Collaborative Clinical Alliance Cohort
Authors: Gebreegziabher Elisabeth A. , Oldenburg Catherine E. , Shiboski Stephen C. , Baer Alan N. , Jordan Richard C. , Rose‐Nussbaumer Jennifer R. , Bunya Vatinee Y. , Akpek Esen K. , Criswell Lindsey A. , Shiboski Caroline H. , Lietman Thomas M. , Gonzales John A. 
Published: December 2021

ObjectiveThe objective of this study was to examine the association of smoking with Primary Sjögren syndrome (pSS) classification and pSS diagnostic test results. We hypothesized that past and current smokers would have lower odds of being classified as having Sjögren syndrome (SS) and lower odds of having abnormal individual SS diagnostic test results compared with nonsmokers.MethodsParticipants with suspected or established pSS were enrolled into the Sjögren's International Collaborative Clinical Alliance (SICCA) registry and had oral, ocular, and rheumatologic examinations performed; blood and saliva samples collected; and labial salivary gland biopsy examinations performed; they also completed questionnaires at baseline. Logistic regression was used to determine whether smoking status was associated with pSS classification and individual pSS diagnostic test results.ResultsA total of 3514 participants were enrolled in SICCA. A total of 1541 (52.9%) met classification criteria for pSS. Compared with never smokers, current smokers had reduced odds of being classified as having pSS, reduced odds of having a focus score ≥ 1 and serologic positivity for anti‐SSA/anti‐SSB antibodies, and lower odds of having abnormal signs or test results of dry eye disease. Compared with never smokers, past smokers did not have a statistically significant reduction in odds of being classified as having pSS and of having abnormal individual pSS diagnostic test results.ConclusionCompared with never smokers, current smokers in the SICCA cohort had lower odds of being classified as having pSS, lower odds of exhibiting abnormal signs and test results for dry eye disease, and lower odds of having a labial salivary gland biopsy supportive of pSS classification. Such negative associations, however, do not suggest that current smoking is of any benefit with respect to pSS.
Perovskite Quantum Dot‐Ta2NiSe5 Mixed‐Dimensional Van Der Waals Heterostructures for High‐Performance Near‐Infrared Photodetection
Authors: Qiao Jie , Feng Fu , Song Shuang , Wang Tao , Shen Mengyan , Zhang Guoping , Yuan Xiaocong , Somekh Michael G. 
Published: December 2021

Abstract2D materials and their van der Waals heterostructures are of great fundamental interest and have potential applications in emerging electronics devices. However, atomically thin photodetector applications have suffered from performance limitations because of low optical absorption. Here, a near‐infrared photodetector based on methylammonium lead halide perovskite quantum dots (MQDs), combined with Ta2NiSe5 van der Waals heterostructures, is fabricated to take advantage of their energy band alignment. An ultrasensitive photoresponse with a detectivity of 6.0 × 1012 Jones for 800 nm illumination is demonstrated. Furthermore, the field‐effect mobility and responsivity are enhanced by factors of 2 and 7.4, respectively, by interfacing Ta2NiSe5 and the MQDs. These results indicate that the optoelectrical properties of 2D ternary Ta2NiSe5 can be significantly optimized via hybridization with MQDs and can accelerate the evolution of MQD‐van der Waals heterostructure‐based devices.
Reversible Mechanically Induced On–Off Photoluminescence in Hybrid Metal Halides
Authors: Fan Liubing , Liu Ke , He Shihui , Zhao Fangyi , Zhao Jing , Wang Yonggang , Liu Quanlin 
Published: December 2021

AbstractStimulus‐responsive photoluminescent materials have attracted extensive research attention in recent years owing to their potential application in information storage and switch devices. It is important to further explore such bistable materials as well as the underlying transformation mechanisms. Herein, the syntheses and mechanically tunable “on–off” photoluminescence (PL) of two organic–inorganic hybrid metal halides, (Bmpip)9Pb3Zn2Br19 and (Bmpip)9Pb3Cd2Br19 (Bmpip+ = 1‐butyl‐1‐methyl‐piperidinium, C10H22N+), are reported. Both as‐obtained compounds are nonemissive under UV light at ambient conditions but exhibit bright PL upon grinding or under hydrostatic pressure. Interestingly, the PL is quenchable by short‐time annealing or storage in air for 1 week, and the process is repeatable. Through a combination of extensive structural and spectral analyses, the crucial role of the organic cations interacting with inorganic chromophores in the “on–off” PL behavior of the title compounds is revealed. Moreover, pressure‐induced PL and PL‐enhancement phenomena are observed in both compounds, which are similar to but slightly different than the above‐mentioned mechano‐PL. Finally, proof‐of‐concept devices are fabricated to demonstrate the potential applications of the title compounds in message recording and force sensing.
Quantum Sensing of Thermoelectric Power in Low‐Dimensional Materials
Authors: Zhao Mali , Kim Dohyun , Lee Young Hee , Yang Heejun , Cho Suyeon 
Published: December 2021

AbstractThermoelectric power, has been extensively studied in low‐dimensional materials where quantum confinement and spin textures can largely modulate thermopower generation. In addition to classical and macroscopic values, thermopower also varies locally over a wide range of length scales, and is fundamentally linked to electron wave functions and phonon propagation. Various experimental methods for the quantum sensing of localized thermopower have been suggested, particularly based on scanning probe microscopy. Here, critical advances in the quantum sensing of thermopower are introduced, from the atomic to the several‐hundred‐nanometer scales, including the unique role of low‐dimensionality, defects, spins, and relativistic effects for optimized power generation. Investigating the microscopic nature of thermopower in quantum materials can provide insights useful for the design of advanced materials for future thermoelectric applications. Quantum sensing techniques for thermopower can pave the way to practical and novel energy devices for a sustainable society.
Zwitterionic Polymer Electroplating Facilitates the Preparation of Electrode Surfaces for Biosensing
Authors: Kilic Tugba , Gessner Isabel , Cho Young Kwan , Jeong Naebong , Quintana Jeremy , Weissleder Ralph , Lee Hakho 
Published: December 2021

AbstractSurface chemistry critically affects the diagnostic performance of biosensors. An ideal sensor surface should be resistant to nonspecific protein adsorption, yet be conducive to analytical responses. Here a new polymeric material, zwitterionic polypyrrole (ZiPPy), is reported to produce optimal surface condition for biosensing electrodes. ZiPPy combines two unique advantages: the zwitterionic function that efficiently hydrates electrode surface, hindering nonspecific binding of hydrophobic proteins; and the pyrrole backbone, which enables rapid (<7 min), controlled deposition of ZiPPy through electropolymerization. ZiPPy‐coated electrodes show lower electrochemical impedance and less nonspecific protein adsorption (low fouling), outperforming bare and polypyrrole‐coated electrodes. Moreover, affinity ligands for target biomarkers can be immobilized together with ZiPPy in a single‐step electropolymerization. ZiPPy‐coated electrodes are developed with specificity for severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2). The prepared sensor detects SARS‐CoV‐2 antibodies in human saliva down to 50 ng mL−1, without the need for sample purification or secondary labeling.
Manipulation of Triplet Excited States for Long‐Lived and Efficient Organic Afterglow
Authors: Sun Yan , Liu Jiahui , Li Jiuyang , Li Xun , Wang Xuepu , Wang Guangming , Zhang Kaka 
Published: December 2021

AbstractIn organic systems, it is very challenging to simultaneously achieve long afterglow lifetimes (τAG) and high afterglow efficiency (ΦAG). Here, luminescent dopants which feature a small rate of phosphorescence decay (kP) and modest rate of reverse intersystem crossing (kRISC) are designed and knr + kq values (nonradiative decay and quenching) of triplet excited states are suppressed by all means that include increasing molecular rigidity of luminescent dopants, screening organic matrices to strongly inhibit intramolecular motions of luminescent dopants, and deuteration of the luminescent dopants. Organic matrices are selected with large dipole moments to stabilize the singlet excited states of luminescent dopants via dipole–dipole interactions, reduce singlet–triplet splitting energy, and thus enhance ΦISC, leading to significant population of triplet excited states. Thermally activated delayed fluorescence mechanism is also used with modest kRISC to harvest triplet energies, significantly improve ΦAG to 64%, and maintain long τAG > 1.0 s. The obtained materials display intense afterglow brightness, excellent processability, and temperature‐sensing function.
Rational Synthesis and Regulation of Hollow Structural Materials for Electrocatalytic Nitrogen Reduction Reaction
Authors: Xue Cong , Zhou Xinru , Li Xiaohan , Yang Nan , Xin Xue , Wang Yusheng , Zhang Weina , Wu Jiansheng , Liu Wenjing , Huo Fengwei 
Published: December 2021

AbstractThe electrocatalytic nitrogen reduction reaction (NRR) is known as a promising mean of nitrogen fixation to mitigate the energy crisis and facilitate fertilizer production under mild circumstances. For electrocatalytic reactions, the design of efficient catalysts is conducive to reducing activation energy and accelerating lethargic dynamics. Among them, hollow structural materials possess cavities in their structures, which can slack off the escape rate of N2 and reaction intermediates, prolong the residence time of N2, enrich the reaction intermediates’ concentration, and shorten electron transportation path, thereby further enhancing their NRR activity. Here, the basic synthetic strategies of hollow structural materials are introduced first. Then, the recent breakthroughs in hollow structural materials as NRR catalysts are reviewed from the perspective of intrinsic, mesoscopic, and microscopic regulations, aiming to discuss how structures affect and improve the catalytic performance. Finally, the future research directions of hollow structural materials as NRR catalysts are discussed. This review is expected to provide an outlook for optimizing hollow structural NRR catalysts.
Tunable Microwave Conductance of Nanodomains in Ferroelectric PbZr0.2Ti0.8O3 Thin Film
Authors: Burns Stuart R. , Tselev Alexander , Ievlev Anton V. , Agar Joshua C. , Martin Lane W. , Kalinin Sergei V. , Sando Daniel , Maksymovych Petro 
Published: December 2021

AbstractFerroelectric materials exhibit spontaneous polarization that can be switched by electric field. Beyond traditional applications as nonvolatile capacitive elements, the interplay between polarization and electronic transport in ferroelectric thin films has enabled a path to neuromorphic device applications involving resistive switching. A fundamental challenge, however, is that finite electronic conductivity may introduce considerable power dissipation and perhaps destabilize ferroelectricity itself. Here, tunable microwave frequency electronic response of domain walls injected into ferroelectric lead zirconate titanate (PbZr0.2Ti0.8O3) on the level of a single nanodomain is revealed. Tunable microwave response is detected through first‐order reversal curve spectroscopy combined with scanning microwave impedance microscopy measurements taken near 3 GHz. Contributions of film interfaces to the measured AC conduction through subtractive milling, where the film exhibited improved conduction properties after removal of surface layers, are investigated. Using statistical analysis and finite element modeling, we inferred that the mechanism of tunable microwave conductance is the variable area of the domain wall in the switching volume. These observations open the possibilities for ferroelectric memristors or volatile resistive switches, localized to several tens of nanometers and operating according to well‐defined dynamics under an applied field.
Characteristics of PEALD–Hafnium Dioxide Films and their Application to Gate Insulator Stacks of Photosynaptic Transistors
Authors: Kim Jieun , Lim Jung Wook , Lee Jaehee 
Published: December 2021

AbstractFor practical applications of photosynaptic devices in neuromorphic systems, photosynaptic transistors prepared using TiO2 channels and TiO2/Al2O3 deep trap interfaces exhibit high stability and retention. However, there is scope for improving photosynaptic properties such as large numbers of analog states with good linearity and high sensitivity. Herein, HfO2 thin films of high‐κ gate dielectric layers grown by plasma‐enhanced atomic layer deposition with the Hf precursor methyl‐3‐cyclopentadiene propylamine bis(dimethylamino) hafnium are employed. 30‐nm‐thick HfO2 films deposited at 200 °C exhibit a κ of 13.4 and an E‐field of up to 5 MV cm−1. They are grown on a Si substrate and appropriately used in the form of double‐insulator stacks, in addition to Al2O3, in TiO2‐based photosynaptic transistors. The synaptic transistors successfully demonstrate better performance in terms of various parameters relevant to synaptic plasticity. For long‐term plasticity, 256 analog states are observed, which is more than that reported previously, with superior linearity. Moreover, lights of various wavelengths, including visible and UV, are illuminated on the devices, resulting in various lifetimes (wavelength‐dependent) of the trapped carriers. These properties are commercially attractive and suggest the feasibility of employing these devices in applications such as visual information detection and computing in future intelligent networks.
Engineering Electrochemical Surface for Efficient Carbon Dioxide Upgrade
Authors: Wen Guobin , Ren Bohua , Zheng Yun , Li Matthew , Silva Catherine , Song Shuqin , Zhang Zhen , Dou Haozhen , Zhao Lei , Luo Dan , Yu Aiping , Chen Zhongwei 
Published: December 2021

AbstractElectrochemical CO2 conversion offers an attractive route for recycling CO2 with economic and environmental benefits, while the catalytic materials and electrode structures still require further improvements for scale‐up application. Electrocatalytic surface and near‐surface engineering (ESE) has great potential to advance CO2 reduction reactions (CO2RR) with improved activity, selectivity, energetic efficiency, stability, and reduced overpotentials. This review initially provides a panorama of ESE effects to give a clear perspective and leverage their advantages, including surface electronic effects, ensemble effects, strain effects, and local environment effects. Additionally, relevant in situ spectroscopic characterization techniques to detect, and theoretical computational approaches to reveal these ESE effects are presented. Typical ESE strategies are also summarized, e.g., in situ surface reconstruction, surface morphology control, surface modifications, etc. Rational manipulations of specific ESE approaches or combinations of them are critical to designing composite catalysts and electrodes, consequently promoting sustainable development and steadily increasing the prosperity of this field.
Implementations of Heralded Solid‐State SWAP and SWAP$\sqrt {SWAP}$ Gates through Waveguide‐Assisted Interactions
Authors: Song Guo‐Zhu , Guo Jin‐Liang , Qiu Jing , Wei Hai‐Rui , Tao Ming‐Jie , Long Gui‐Lu 
Published: December 2021

AbstractSome heralded schemes are presented for realizing solid‐state quantum gates, including SWAP and gates. They are achieved by emitter‐photon scattering in 1D waveguides, and the qubits are encoded on the degenerate ground states of the solid‐state emitters. The schemes for these two quantum gates feature a filtering mechanism that the faulty scattering events between quantum emitters and photons can be mapped into the heralded photon losses. That is, the protocols can turn physical errors caused by system imperfections into the detection of photon polarization, which is advantageous for quantum information and quantum computation. Furthermore, no auxiliary solid‐state qubits are needed in our schemes, which reduces not only quantum resource but also error. The calculations reveal that the success probabilities and fidelities of the two quantum gates are high with current experimental technologies.
Some characteristics of new and innovative COX inhibitor derivatives: Potent hCA‐I and hCA‐II inhibitors supported by molecular docking studies
Authors: Karakılıç Emel , Alım Zuhal , Emirik Mustafa , Baran Arif 
Published: December 2021

AbstractIn this study, two novel metallophthalocyanines (ZnPc and CoPc) were synthesized using the corresponding metal salts 4‐(4‐(4‐[4‐chlorophenyl]‐5‐methylisoxazol‐3‐yl)phenoxy)‐phthalonitrile (11), prepared from the reaction of 4‐nitrophthalonitrile and 4‐(4‐[4‐chlorophenyl]‐5‐methylisoxazol‐3‐yl)phenol (9). These metallophthalocyanines (MPcs) showed quite solubility in organic solvents such as dichloromethane (DCM), tetrahydrofuran (THF), dimethyl formamide (DMF), and dimethylsulfoxide (DMSO). The novel compounds 11a and 11b have been characterized using their UV–Vis, FT–IR, 1H NMR, 13C NMR, X‐Ray, and MALDI–TOF mass spectra. Supporting information cocerning with the study has been supplied. Photochemical, photophysical, and cyclic voltagram properties of these novel 4‐(4‐(4‐[4‐chlorophenyl]‐5‐methylisoxazol‐3‐yl)phenoxy substituted metallophthalocyanines (11a and 11b) were determined in DMF. DNA binding, metal chelating effect assay, and DPPH [2,2‐diphenyl‐1‐picrylhydrazyl hydrate] radical scavenging assay and electrochemical studies of MPcs were investigated. Further, the inhibitory effects of the COX‐inhibitor based novel metallophthalocyanines (11a and 11b) and their ligands (10 and 11) were examined on human erythrocyte carbonic anhydrase I (hCA‐I) and II (hCA‐II) isoenzymes, and the synthesized molecules exhibited very strong inhibitory effects on both isoforms. In addition, the hCA‐I and hCA‐II inhibition potential of Zn (II) and Co (II) Phthalocyanine complexes was supported by molecular docking studies. The binding interaction of metallophthalocyanines complexes 11a, 11b enzymes were analyzed in detail.
Half‐sandwich ruthenium complex with a very low overpotential and excellent activity for water oxidation under acidic conditions
Authors: Younus Hussein A. , Yildiz Ibrahim , Ahmad Nazir , Mohamed Hemdan S. , Khabiri Gomaa , Zhang Shiguo , Verpoort Francis , Liu Piao , Zhang Yan 
Published: December 2021

AbstractMolecular catalysts are acknowledged for the ability to design reaction sites within well‐defined structures to achieve high catalytic activities. However, in many cases, molecular catalysts undergo structural changes to some other form(s), which are finally the real catalysts. Here, we report two half‐sandwich ruthenium complexes; [Ru([9]aneN3)(bpy)Cl]+ 3 and [Ru([9]aneN3)(pic)OH2]2+ 4, based on the macrocyclic 1,4,7‐triazacyclononane ([9]aneN3) ligand for water oxidation (WO). The two complexes have similar core but different ancillary ligands, which greatly affected their stability as well as activity for WO. Complex 3 retained high stability and excellent activity (turnover number [TON] = 1250) in chemical WO and first‐order reaction kinetics with respect to [CeIV] with a calculated rate constant (kcat) of 34.59 s−1. Further, the complex demonstrated very low overpotential of ~210 mV in electrochemical WO. At an overpotential of only 400 mV, turnover frequency (TOF) of complex 3 was electrochemically estimated to be 131.2 s−1. In contrast, complex 4 underwent picolinate ligand dissociation, as a deactivation pathway, to form the tri‐aqua derivative. Density functional theory (DFT) calculations are used to explain the dissociation mechanism of picolinate ligand in complex 4, which happens through a stepwise dissociation mechanism.
Digitaler Zwilling: Verwaltungsschale BBox als Datenablage über den Lebenszyklus einer Brücke
Authors: Braml Thomas , Wimmer Johannes , Varabei Yauhen , Maack Stefan , Küttenbaum Stefan , Kuhn Thomas , Reingruber Maximilian , Gordt Alexander , Hamm Jürgen 
Published: December 2021

AbstractAuf dem Weg zur digitalen Brücke existieren bereits erste Lösungen, die den Lebenszyklus einer Brücke abbilden können. Für die Planung, den Bau und den Unterhalt stehen unterschiedlichste Werkzeuge, z. B. BIM, DIN 1076, SIB‐Bauwerke, Monitoring etc. zur Verfügung, die jeweils mit unterschiedlichen Datenformaten arbeiten. Für ein intelligentes Erhaltungsmanagement müssen aber alle Daten mit den verschiedenen Datenformaten zusammengeführt, abgelegt und so verwaltet werden können, dass über den gesamten Lebenszyklus einer Brücke die Abbildung eines ganzheitlichen digitalen Zwillings eines Bauwerks möglich ist. Die Autoren haben dafür mit BBox den Prototyp einer Verwaltungsschale (VWS) auf Grundlage von Industrie 4.0 entwickelt. Damit wird das physikalisch‐ingenieurtechnische Modell zur Zustandsbewertung der Brücke in den Mittelpunkt gestellt und der gesamte Lebenszyklus einer Brücke kann unabhängig von Datenformaten digital erfasst werden. Da der Aufbau der VWS durch die Granularität optimal strukturiert ist, bietet die Ablage und Einspeisung von Messdaten sowohl die Grundlage eines Live‐Monitorings als auch den Grundstein für maschinelles Lernen (ML). Der Datenzugriff via S3‐Schnittstelle erleichtert die Entwicklung von eigenen Prognosemodellen mit Informationsmustern (SHIP – Structural Health Information Pattern). Am Beispiel der Heinrichsbrücke Bamberg wird die praktische intelligente Umsetzung des Bauwerksmonitorings inkl. VWS mit Informationsmustern und ML gezeigt.
Behavior analysis and aphasia: A current appraisal and suggestions for the future
Authors: Becker April M. , Baltazar Marla 
Published: December 2021

AbstractSkinner's Verbal Behavior provided a starting point for understanding and technologically addressing language in a variety of contexts, including language disorders related to acquired brain injury such as aphasia. Subsequent work on verbal behavior in the context of aphasia has been relatively rare despite the sophistication of behavior analytic contributions to its conceptualization and treatment. In this article we discuss conceptualization, assessment, and rehabilitation approaches inside and outside behavior analysis to highlight the significant unrealized potentials that could come from increased behavior analytic involvement. Not only does such work stand to meaningfully contribute to rehabilitative technologies, but the study of natural lines of fracture revealed by brain injury holds a unique potential for testing, validating, and refining the Skinnerian approach to language.