bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effects of boron nitride and carbon nanotube on damping properties, thermal conductivity and compression stress relaxation behavior of BIIR
Authors: Dong Huanhuan , Zhang Guojie , Jiang Yang , Zhang Yong 
Published: December 2021

AbstractAs highly integrated electronic components and devices are used under high electrical power and mechanical vibration, the thermal conductivity, damping properties, and compression stress relaxation of protection materials have become critical factors which affect the long‐term durability and reliability of the materials. Damping rubbers are widely used, but their thermal conductivity and compression stress relaxation are rarely studied. Herein, the effects of boron nitride (BN) and carbon nanotube on the damping properties, thermal conductivity, and compression stress relaxation behavior of brominated butyl rubber (BIIR) are investigated. BN increases the damping factor of BIIR and widens its effective damping temperature range. The maximum damping factor of BIIR composite with 12.3 wt% BN is 0.95, and the effective damping temperature range is −41 to 60°C. Moreover, the thermal conductivity of BIIR with 12.3 wt% BN is 0.46, much higher than that of BIIR. With increasing BN content, the thermal conductivity of BIIR/BN composites increases gradually, while their stress relaxation rate decreases. Carbon nanotube can further increase the thermal conductivity of BIIR/BN composites. BIIR/BN composites with high damping properties and thermal conductivity have a great application potential in the heat dissipation and vibration reduction of electronic devices.
Tacrolimus time in therapeutic range and long‐term outcomes in heart transplant recipients
Authors: Adie Sarah K. , Bitar Abbas , Konerman Matthew C. , Dorsch Michael P. , Andrews Chris A. , Pogue Kristen , Park Jeong M. 
Published: December 2021

AbstractStudy ObjectiveLittle is known about the association between tacrolimus time in therapeutic range (TTR) within the guideline‐recommended targets and heart transplant (HT) patient outcomes. This study evaluated the association of early tacrolimus TTR with rejection and other clinical outcomes during an extended follow‐up after HT.DesignThis was a single‐center retrospective cohort study.SettingThe study was conducted at Michigan Medicine (1/1/2006–12/31/2017).PatientsHT recipients ≥18 years of age were included.MeasurementThe primary end point was the effect of tacrolimus TTR on time to rejection over the entire follow‐up period.Main ResultsA total of 137 patients were included with a median follow‐up of 53 months. Based on the median TTR of 58%, the patients were divided into the low tacrolimus TTR (n = 68) and high tacrolimus TTR (n = 69) cohort. The high tacrolimus TTR was associated with a significantly lower risk of rejection compared to the low tacrolimus TTR cohort (hazard ratio [HR] 0.63, 95% confidence interval [CI] 0.41–0.98; p = 0.04). A post hoc analysis revealed associations between rejection and TTR when high and low TTR groups were created at different levels. TTR <30% was associated with a 7‐fold higher risk of rejection (HR 7.56; 95% CI 1.76–37.6; p < 0.01) and TTR >75% was associated with a 77% lower risk of rejection (HR 0.23; 95% CI 0.08–0.627; p < 0.01).ConclusionsPatients in the higher tacrolimus TTR cohort had a lower risk of rejection. We observed correlations between higher risk of rejection with TTR <30% and lower risk of rejection with TTR >75%. Future studies should focus on validating the optimal TTR cutoff while also exploring a cutoff to delineate high‐risk patients for which early interventions to improve tacrolimus TTR may be beneficial.
In‐situ interfacial polymerization endows surface enrichment of COOH groups on anion exchange membranes for efficient Cl−/SO42− separation
Authors: Afsar Noor Ul , Li Xingya , Zhu Yanran , Ge Zijuan , Zhou Yue , Zhao Zhang , Hussain Arif , Ge Liang , Fu Rongqiang , Liu Zhaoming , Xu Tongwen 
Published: December 2021

AbstractIn‐situ interfacial polymerization technique is developed to prepare monovalent anion‐permselective membranes (MAPMs). The introduction of multi‐hydroxyl (OH) and cationic groups in the base membrane provide suitable routes towards the monovalent anion transport. Only trimesoyl chloride is employed to generate a crosslinked polyester layer on membrane surface. The ISIP transforms the surface of anion exchange membranes into a dense and negatively charged layer to promote the ion permselectivity. The modified membranes show a high limiting current density and low membrane resistance of 4.7 Ω cm2. The resultant membranes exhibit a high Cl− flux of 6.3 × 10−8 mol cm−2 s−1 and a high permselectivity of ~60 for Cl−/SO42−. The findings demonstrate the ISIP technique having great potentials for the fabrication of highly permselective MAPMs.
Anlotinib helps alleviate radiation pneumonitis: A case report
Authors: Chen Jiazhen , Wang Cunliang , Hu Xudong 
Published: December 2021

AbstractRadiation pneumonitis is a serious side effect of thoracic radiotherapy with no established treatment currently. Anlotinib is a small‐molecule tyrosine kinase inhibitor (TKI) with anti‐angiogenic effects. The effect of TKIs in the treatment of radiation pneumonitis remains to be elucidated. We investigated whether anlotinib could alleviate radiation pneumonitis. We report a case of a patient with esophageal cancer who received anlotinib for radiation pneumonitis following radiotherapy. We also reviewed related studies to address this issue. The results in this patient suggest that anlotinib may be a valid treatment option for radiation pneumonitis.
Evaluating the lifetime performance index of products based on progressively Type‐II censored Pareto samples: A new Bayesian approach
Authors: Ahmadi Mohammad Vali , Doostparast Mahdi 
Published: December 2021

AbstractProcess capability indices has been widely applied in industry to assess the performance of industrial processes. For the larger‐the‐better lifetimes of products, the lifetime performance index is commonly considered by industrial managers. This paper confines itself to the the Bayesian statistical inferences about under the Pareto distribution with the progressively Type‐II censored samples. The Bayesian inferences are based on a conjugate continuous prior for the scale parameter and a discrete prior for the shape parameter of the distribution under consideration. Two illustrative examples are given to demonstrate the sensitivity of results to the prior hyperparameters and the underlying distribution of the observations. Finally, a Monte Carlo simulation study is done to evaluate the behavior of the lifetime performance index .
Cycle lengths in sparse random graphs
Authors: Alon Yahav , Krivelevich Michael , Lubetzky Eyal 
Published: December 2021

AbstractWe study the set of lengths of all cycles that appear in a random d‐regular graph G on n vertices for fixed, as well as in binomial random graphs on n vertices with a fixed average degree . Fundamental results on the distribution of cycle counts in these models were established in the 1980s and early 1990s, with a focus on the extreme lengths: cycles of fixed length, and cycles of length linear in n. Here we derive, for a random d‐regular graph, the limiting probability that simultaneously contains the entire range for , as an explicit expression which goes to 1 as . For the random graph with , where for some absolute constant , we show the analogous result for the range , where is the length of a longest cycle in G. The limiting probability for coincides with from the d‐regular case when c
is the integer . In addition, for the directed random graph we show results analogous to those on , and for both models we find an interval of consecutive cycle lengths in the slightly supercritical regime .
Electrolyte Salts and Additives Regulation Enables High Performance Aqueous Zinc Ion Batteries: A Mini Review
Authors: Du Yixun , Li Yang , Xu Ben Bin , Liu Terence Xiaoteng , Liu Xuqing , Ma Fuyu , Gu Xingxing , Lai Chao 
Published: December 2021

AbstractAqueous zinc ion batteries (ZIBs) are regarded as one of the most ideally suited candidates for large‐scale energy storage applications owning to their obvious advantages, that is, low cost, high safety, high ionic conductivity, abundant raw material resources, and eco‐friendliness. Much effort has been devoted to the exploration of cathode materials design, cathode storage mechanisms, anode protection as well as failure mechanisms, while inadequate attentions are paid on the performance enhancement through modifying the electrolyte salts and additives. Herein, to fulfill a comprehensive aqueous ZIBs research database, a range of recently published electrolyte salts and additives research is reviewed and discussed. Furthermore, the remaining challenges and future directions of electrolytes in aqueous ZIBs are also suggested, which can provide insights to push ZIBs’ commercialization.
Applications of Metal‐Organic Frameworks in Water Treatment: A Review
Authors: Yang Feiyu , Du Meng , Yin Kailiang , Qiu Ziming , Zhao Jiawei , Liu Chunli , Zhang Guangxun , Gao Yajun , Pang Huan 
Published: December 2021

AbstractThe ever‐expanding scale of industry and agriculture has led to the gradual increase of pollutants (e.g., heavy metal ions, synthetic dyes, and antibiotics) in water resources, and the ecology and wastewater are grave problems that need to be solved urgently and has attracted widespread attention from the research community and industry in recent years. Metal‐organic frameworks (MOFs) are a type of organic–inorganic hybrid material with a distinctive 3D network crystal structure. Lately, MOFs have made striking progress in the fields of adsorption, catalytic degradation, and biomedicine on account of their large specific surface and well‐developed pore structure. This review summarizes the latest research achievements in the preparation of pristine MOFs, MOF composites, and MOF derivatives for various applications including the removal of heavy metal ions, organic dyes, and other harmful substances in sewage. Furthermore, the working mechanisms of utilizing adsorption, photocatalytic degradation, and membrane separation technologies are also briefly described for specific pollutants removal from sewage. It is expected that this review will provide inspiration and references for the synthesis of pristine MOFs as well as their composites and derivatives with excellent water treatment performance.
Manipulating the Zinc Deposition Behavior in Hexagonal Patterns at the Preferential Zn (100) Crystal Plane to Construct Surficial Dendrite‐Free Zinc Metal Anode
Authors: Zhang Yaru , Han Xinpeng , Liu Runze , Yang Zhanxu , Zhang Shaojie , Zhang Yiming , Wang Huili , Cao Yu , Chen Aibing , Sun Jie 
Published: December 2021

AbstractZinc metal has a severe dendrite issue caused by the uneven Zn plating/stripping during continual cycles, which hinders the practical application of ZIBs. The surficial atomic structure of zinc anode plays a decisive role in solving dendrites and improving the electrochemical performance. According to the density functional theory results, Zn (100) plane possesses a much stronger adsorption energy of zinc atom compared with the (002), thus zinc atom preferentially nucleates on the (100) surface. It subsequently continues to grow vertically on (100). Herein, the zinc anode is designed with hexagonal‐hole patterns (h‐Zn) through a phosphoric acid etching reaction. An abundance of Zn (100) crystal planes are exposed perpendicularly to the anode surface, while the (002) surfaces are at the bottom of these hexagonal holes. Zinc prefers to deposit in hexagonal holes at the (100) surfaces, favoring the restraining of the surficial dendrite growth and accelerating the Zn deposition kinetics. Thus, the symmetric cell using h‐Zn exhibits a long cycling lifespan for over 1200 h and extremely low polarization voltage of ≈80 mV at 5 mA cm–2 and 1 mAh cm–2. This work provides an insight into the surficial structure design and crystal plane regulation to fabricate brilliant zinc metal anodes.
Durability performance of self‐compacting concrete made with waste foundry sand
Authors: Sandhu Ravinder Kaur , Siddique Rafat 
Published: December 2021

AbstractThe utilization of waste foundry sand (WFS) has been widely explored in conventional concrete to evaluate strength and durability properties. In this study, durability properties of self‐compacting concrete (SCC) made with various percentages (0%–30%) of WFS as a partial replacement of river sand up to the age of 365 days are investigated. Annually, more than 60 million metric tons of WFS is produced worldwide from the casting industry, creating environmental problems. The scarcity of river sand is another major area of concern that can be addressed with the utilization of WFS in concrete. Tests were conducted for fresh properties, compressive strength, water absorption, sorptivity, rapid chloride permeability, and sulfate resistance. All the SCC mixes exhibited fresh‐state properties as per EFNARC. With the incorporation of WFS up to 30% increased volume of permeable pore space (13.43%–16.67%), water absorption (2.11–3.07 mm), chloride permeability (2119–3553 C), and decreased compressive strength of sulfate‐cured samples by nearly 5% compared to water‐cured samples at 28 days of curing were observed. The concrete samples showed better performance of pore structure, permeation, sulfate attack, and chloride permeability at 90 and 365 days of curing age. It was found that cost‐effective SCC with performance comparable to the control mix could be achieved by using WFS up to 10%.
Emerging quantum computing algorithms for quantum chemistry
Authors: Motta Mario , Rice Julia E. 
Published: December 2021

AbstractDigital quantum computers provide a computational framework for solving the Schrödinger equation for a variety of many‐particle systems. Quantum computing algorithms for the quantum simulation of these systems have recently witnessed remarkable growth, notwithstanding the limitations of existing quantum hardware, especially as a tool for electronic structure computations in molecules. In this review, we provide a self‐contained introduction to emerging algorithms for the simulation of Hamiltonian dynamics and eigenstates, with emphasis on their applications to the electronic structure in molecular systems. Theoretical foundations and implementation details of the method are discussed, and their strengths, limitations, and recent advances are presented.This article is categorized under:
Quantum Computing > Algorithms
Electronic Structure Theory > Ab Initio Electronic Structure Methods
Quantum Computing > Theory Development
Uncertainty Quantification, Model Calibration and Sensitivity
Authors: Bijak Jakub , Hilton Jason 
Published: December 2021

AbstractBetter understanding of the behaviour of agent-based models, aimed at embedding them in the broader, model-based line of scientific enquiry, requires a comprehensive framework for analysing their results. Seeing models as tools for experimentingin silico, this chapter discusses the basic tenets and techniques of uncertainty quantification and experimental design, both of which can help shed light on the workings of complex systems embedded in computational models. In particular, we look at: relationships between model inputs and outputs, various types of experimental design, methods of analysis of simulation results, assessment of model uncertainty and sensitivity, which helps identify the parts of the model that matter in the experiments, as well as statistical tools for calibrating models to the available data. We focus on the role of emulators, or meta-models – high-level statistical models approximating the behaviour of the agent-based models under study – and in particular, on Gaussian processes (GPs). The theoretical discussion is illustrated by applications to the Routes and Rumours model of migrant route formation introduced before.
W+W− production at NNLO+PS with MINNLOPS
Authors: Lombardi Daniele , Wiesemann Marius , Zanderighi Giulia 
Published: December 2021

Abstract
We consider W+W− production in hadronic collisions and present the computation of next-to-next-to-leading order accurate predictions consistently matched to parton showers (NNLO+PS) using the MiNNLOPS method. Spin correlations, interferences and off-shell effects are included by calculating the full process pp → e+νeμ−$$ \overline{\nu} $$

ν
¯

μ. This is the first NNLO+PS calculation for W+W− production that does not require an a-posteriori multi-differential reweighting. The evaluation time of the two-loop contribution has been reduced by more than one order of magnitude through a four-dimensional cubic spline interpolation. We find good agreement with the inclusive and fiducial cross sections measured by ATLAS and CMS. Both NNLO corrections and matching to parton showers are important for an accurate simulation of the W+W− signal, and their matching provides the best description of fully exclusive W+W− events to date.
Worldline description of a bi-adjoint scalar and the zeroth copy
Authors: Bastianelli Fiorenzo , Comberiati Francesco , de la Cruz Leonardo 
Published: December 2021

AbstractBi-adjoint scalars are helpful in studying properties of color/kinematics duality and the double copy, which relates scattering amplitudes of gauge and gravity theories. Here we study bi-adjoint scalars from a worldline perspective. We show how a globalG×$$ \overset{\sim }{G} $$G~symmetry group may be realized by worldline degrees of freedom. The worldline action gives rise to vertex operators, which are compared to similar ones describing the coupling to gauge fields and gravity, thus exposing the color/kinematics interplay in this framework. The action is quantized by path integrals to find a worldline representation of the one-loop QFT effective action of the bi-adjoint scalar cubic theory. As simple applications, we recover the one-loop beta function of the theory in six dimensions, verifying its vanishing, and compute the self-energy correction to the propagator. The model is easily extendable to that of a particle carrying an arbitrary representation of direct products of global symmetry groups, including the multi-adjoint particle, whose one-loop beta function we reproduce as well.
Seeking SUSY fixed points in the 4 − ϵ expansion
Authors: Liendo Pedro , Rong Junchen 
Published: December 2021

Abstract
We use the 4 − ϵ expansion to search for fixed points corresponding to 2 + 1 dimensional $$ \mathcal{N} $$
N
=1 Wess-Zumino models of NΦ scalar superfields interacting through a cubic superpotential. In the NΦ = 3 case we classify all SUSY fixed points that are perturbatively unitary. In the NΦ = 4 and NΦ = 5 cases, we focus on fixed points where the scalar superfields form a single irreducible representation of the symmetry group (irreducible fixed points). For NΦ = 4 we show that the S5 invariant super Potts model is the only irreducible fixed point where the four scalar superfields are fully interacting. For NΦ = 5, we go through all Lie subgroups of O(5) and use the GAP system for computational discrete algebra to study finite subgroups of O(5) up to order 800. This analysis gives us three fully interacting irreducible fixed points. Of particular interest is a subgroup of O(5) that exhibits O(3)/Z2 symmetry. It turns out this fixed point can be generalized to a new family of models, with NΦ = $$ \frac{\mathrm{N}\left(\mathrm{N}-1\right)}{2} $$

N

N
−
1

2

− 1 and O(N)/Z2 symmetry, that exists for arbitrary integer N≥3.
Characterisation of a new online nanoLC-CZE-MS platform and application for the glycosylation profiling of alpha-1-acid glycoprotein
Authors: Stolz Alexander , Neusüß Christian 
Published: December 2021

AbstractThe ever-increasing complexity of biological samples to be analysed by mass spectrometry has led to the necessity of sophisticated separation techniques, including multidimensional separation. Despite a high degree of orthogonality, the coupling of liquid chromatography (LC) and capillary zone electrophoresis (CZE) has not gained notable attention in research. Here, we present a heart-cut nanoLC-CZE-ESI-MS platform to analyse intact proteins. NanoLC and CZE-MS are coupled using a four-port valve with an internal nanoliter loop. NanoLC and CZE-MS conditions were optimised independently to find ideal conditions for the combined setup. The valve setup enables an ideal transfer efficiency between the dimensions while maintaining good separation conditions in both dimensions. Due to the higher loadability, the nanoLC-CZE-MS setup exhibits a 280-fold increased concentration sensitivity compared to CZE-MS. The platform was used to characterise intact human alpha-1-acid glycoprotein (AGP), an extremely heterogeneous N-glycosylated protein. With the nanoLC-CZE-MS approach, 368 glycoforms can be assigned at a concentration of 50 μg/mL as opposed to the assignment of only 186 glycoforms from 1 mg/mL by CZE-MS. Additionally, we demonstrate that glycosylation profiling is accessible for dried blood spot analysis (25 μg/mL AGP spiked), indicating the general applicability of our setup to biological matrices. The combination of high sensitivity and orthogonal selectivity in both dimensions makes the here-presented nanoLC-CZE-MS approach capable of detailed characterisation of intact proteins and their proteoforms from complex biological samples and in physiologically relevant concentrations.
Graphical abstract
Allgemeine Wirkfaktoren in der schriftbasierten Onlinetherapie und -beratung
Authors: Hintenberger Gerhard 
Published: December 2021

ZusammenfassungDie ständig wachsenden technischen Möglichkeiten führen im Kontext von Onlinetherapie und Onlineberatung zu einer zunehmenden Ausdifferenzierung in unterschiedliche Kommunikationsmedien und verschiedene Settingumgebungen. Verschiedene Klient_innengruppen können so individuell angesprochen und auf deren Problemlagen präziser eingegangen werden. Andererseits wächst dadurch die Gefahr, digitalisierte Interventionen beliebig und eklektisch einzusetzen. Die Settingwahl ist deshalb als bewusste Interventionsstrategie anzusehen und benötigt ein Wissen über allgemeine Wirkfaktoren der unterschiedlichen Kommunikationskanäle, um eine Entscheidungsgrundlage für ein bestimmtes Setting oder einen Settingwechsel innerhalb eines Beratungs- und Therapiegeschehens treffen zu können. In diesem narrativen Review werden allgemeine Wirkfaktoren für die schriftbasierte Onlineberatung und Onlinetherapie identifiziert und als „Wirkfaktor Online-Beziehung“, „Wirkfaktor Sinneskanalreduktion“, „Wirkfaktor Anonymität“, „Wirkfaktor schriftbasierte Nachhaltigkeit“ sowie als „Wirkfaktor selbstreflexives und zeitautonomes Schreiben“ kategorisiert.
Jenseits von Sichardt – empirische Formeln zur Bestimmung der Absenkreichweite eines Brunnens und ein Verbesserungsvorschlag
Authors: Desens Annika , Houben Georg J. 
Published: December 2021

ZusammenfassungDie Kenntnis der Absenkreichweite eines Brunnens ist eine für viele Anwendungen in der Hydrogeologie wichtige, aber nicht immer einfach zu bestimmende Größe. Häufig werden daher empirische Formeln zur Berechnung genutzt, im deutschen Sprachraum besonders die Formel von Sichardt. Im Rahmen dieser Arbeit konnte durch einen Vergleich mit einem analytischen Modell der Brunnenzuströmung zunächst festgestellt werden, in welchem Bereich die Sichardt-Formel am besten funktioniert, nämlich bei sandig-kiesigen Grundwasserleitern mit einer Porosität um 30 % und einer Mächtigkeit von ca. 15 m. Um die Anwendbarkeit der Gleichung über diesen Bereich hinaus zu erweitern, d. h. für abweichende Porositäten und Mächtigkeiten, wurde ein Korrekturfaktor entwickelt, der einfach berechnet oder aus einem Nomogramm abgelesen werden kann. Da empirische Verfahren naturgemäß limitiert sind, kann für komplexere Aufgaben die Anwendung mathematisch anspruchsvollerer Modelle erforderlich werden.