bluuebunny/crossref_metadata_2025_split huggingface dataset:
Statistical methods for handling missing data to align with treatment policy strategy
Authors: Wang Yun , Tu Wenda , Kim Yoonhee , Sinks Susie , He Jiwei , Cambon Alex , Crackel Roberto , Hamilton Kiya , Kettermann Anna , Clark Jennifer 
Published: March 2023

AbstractThe International Council for Harmonization (ICH) E9(R1) addendum recommends choosing an appropriate estimand based on the study objectives in advance of trial design. One defining attribute of an estimand is the intercurrent event, specifically what is considered an intercurrent event and how it should be handled. The primary objective of a clinical study is usually to assess a product's effectiveness and safety based on the planned treatment regimen instead of the actual treatment received. The estimand using the treatment policy strategy, which collects and analyzes data regardless of the occurrence of intercurrent events, is usually utilized. In this article, we explain how missing data can be handled using the treatment policy strategy from the authors' viewpoint in connection with antihyperglycemic product development programs. The article discusses five statistical methods to impute missing data occurring after intercurrent events. All five methods are applied within the framework of the treatment policy strategy. The article compares the five methods via Markov Chain Monte Carlo simulations and showcases how three of these five methods have been applied to estimate the treatment effects published in the labels for three antihyperglycemic agents currently on the market.
Pyisotopomer: A Python package for obtaining intramolecular isotope ratio differences from mass spectrometric analysis of nitrous oxide isotopocules
Authors: Kelly Colette L. , Manning Cara , Frey Claudia , Kaiser Jan , Gluschankoff Noah , Casciotti Karen L. 
Published: March 2023

RationaleObtaining nitrous oxide isotopocule measurements with isotope ratio mass spectrometry (IRMS) involves analyzing the ion current ratios of the nitrous oxide parent ion (N2O+) as well as those of the NO+ fragment ion. The data analysis requires correcting for “scrambling” in the ion source, whereby the NO+ fragment ion obtains the outer N atom from the N2O molecule. While descriptions exist for this correction, and interlaboratory intercalibration efforts have been made, there has yet to be published a package of code for implementing isotopomer calibrations.MethodsWe developed a user‐friendly Python package (pyisotopomer) to determine two coefficients (γ and κ) that describe scrambling in the IRMS ion source, and then used this calibration to obtain intramolecular isotope deltas in N2O samples.ResultsWith two appropriate reference materials, γ and κ can be determined robustly and accurately for a given IRMS system. An additional third reference material is needed to define the zero‐point of the delta scale. We show that IRMS scrambling behavior can vary with time, necessitating regular calibrations. Finally, we present an intercalibration between two IRMS laboratories, using pyisotopomer to calculate γ and κ, and to obtain intramolecular N2O isotope deltas in lake water unknowns.ConclusionsGiven these considerations, we discuss how to use pyisotopomer to obtain high‐quality N2O isotopocule data from IRMS systems, including the use of appropriate reference materials and frequency of calibration.
A new method for calculating time‐varying torsional stiffness of RV reducers with variable loads and tooth modifications
Authors: Song Wenlei , Yang Xiao , Liu Huan , Gao Xuanyu , Lei Yaguo , Cao Junyi 
Published: March 2023

AbstractRotate vector (RV) reducers have advantages of high torque ratio, and extremely reliable functioning under dynamic load conditions, and so forth, and they are extensively used in precision transmissions, such as industrial robots. The torsional stiffness of RV reducers is a main parameter affecting the meshing vibration and transmission performance. In addition, the variable loads and tooth modifications have significant influence on the torsional stiffness of RV reducers. In this paper, a new method of calculating torsional stiffness for RV reducers considering variable loads and tooth modifications is presented. The dynamic stress and deformation of meshing teeth are calculated based on Hertz formulation, and the number of meshing teeth is determined by analyzing the dynamic stress of meshing teeth. Then, the torsional stiffness of RV reducers is obtained. Finite element method is applied to calculate the deformation of cycloidal‐pin gear in the maximum force position δmax. The influence of variable applied loads and different tooth modifications of cycloidal‐pin gear transmission on torsional stiffness are also studied. The results show that variable applied loads and different tooth modifications influence the torsional stiffness of RV reducers by changing teeth deformation and clearance, respectively.
Aromatic Zipper Topology Dictates Water‐Responsive Actuation in Phenylalanine‐Based Crystals
Authors: Sheehan Fahmeed K. , Wang Haozhen , Podbevšek Darjan , Naranjo Elma , Rivera‐Cancel Janel , Moran Cooper , Ulijn Rein V. , Chen Xi 
Published: March 2023

AbstractWater‐responsive (WR) materials that reversibly deform in response to relative humidity (RH) changes are gaining increasing interest for their potential in energy harvesting and soft robotics applications. Despite progress, there are significant gaps in the understanding of how supramolecular structure underpins the reconfiguration and performance of WR materials. Here, three crystals are compared based on the amino acid phenylalanine (F) that contain water channels and F packing domains that are either layered (F), continuously connected (phenylalanyl‐phenylalanine, FF), or isolated (histidyl‐tyrosyl‐phenylalanine, HYF). Hydration‐induced reconfiguration is analyzed through changes in hydrogen‐bond interactions and aromatic zipper topology. F crystals show the greatest WR deformation (WR energy density of 19.8 MJ m−3) followed by HYF (6.5 MJ m−3), while FF exhibits no observable response. The difference in water‐responsiveness strongly correlates to the deformability of aromatic regions, with FF crystals being too stiff to deform, whereas HYF is too soft to efficiently transfer water tension to external loads. These findings reveal aromatic topology design rules for WR crystals and provide insight into general mechanisms of high‐performance WR actuation. Moreover, the best‐performing crystal, F emerges as an efficient WR material for applications at scale and low cost.
Smart Nanosystems for Overcoming Multiple Biological Barriers in Cancer Nanomedicines Transport: Design Principles, Progress, and Challenges
Authors: Lin Gan , Zhou Jiajing , Cheng Hongwei , Liu Gang 
Published: March 2023

AbstractThe development of smart nanosystems, which could overcome diverse biological barriers of nanomedicine transport, has received intense scientific interest in improving the therapeutic efficacies of traditional nanomedicines. However, the reported nanosystems generally hold disparate structures and functions, and the knowledge of involved biological barriers is usually scattered. There is an imperative need for a summary of biological barriers and how these smart nanosystems conquer biological barriers, to guide the rational design of the new‐generation nanomedicines. This review starts from the discussion of major biological barriers existing in nanomedicine transport, including blood circulation, tumoral accumulation and penetration, cellular uptake, drug release, and response. Design principles and recent progress of smart nanosystems in overcoming the biological barriers are overviewed. The designated physicochemical properties of nanosystems can dictate their functions in biological environments, such as protein absorption inhibition, tumor accumulation, penetration, cellular internalization, endosomal escape, and controlled release, as well as modulation of tumor cells and their resident tumor microenvironment. The challenges facing smart nanosystems on the road heading to clinical approval are discussed, followed by the proposals that could further advance the nanomedicine field. It is expected that this review will provide guidelines for the rational design of the new‐generation nanomedicines for clinical use.
Manipulating the Dynamic Self‐Reconstruction of CoP Electrocatalyst Driven by Charge Transport and Ion Leaching
Authors: Xu Dexin , Liu Sirui , Zhang Mingyi , Xu Lingling , Gao Hong , Yao Jing 
Published: March 2023

AbstractSurface reconstruction of electrocatalysts is very important to clarify the structure–component–activity relationship. In this work, in situ Raman and ex situ technologies are used to capture the surface structure evolution of F–Fe–CoP during the oxygen evolution reaction (OER). The results reveal that the leaching of F accelerates the dynamic reconstruction response of CoP to rapidly convert into active (oxy)hydroxide species. The further introduction of Fe can accelerate the charge transfer rate and alleviate the structural stacking caused by insufficient kinetics. The introduction of F and Fe increases the electron occupation states of cobalt sites and promotes the adsorption of OH− ions on the CoP catalyst, which significantly improves the OER performance. F–Fe–CoP exhibits excellent OER performance with an overpotential of 259 mV at 20 mA cm−2. This finding enriches the OER mechanism associated with the surface reconstruction of CoP and provides a reference for the rational design of efficient electrocatalysts.
Controllable Architecture of ZnO/FeNi Composites Derived from Trimetallic ZnFeNi Layered Double Hydroxides for High‐Performance Electromagnetic Wave Absorbers
Authors: Gan Fangyu , Rao Qingrong , Deng Jianqiu , Cheng Lichun , Zhong Yan , Lu Zhao , Wang Feng , Wang Jiang , Zhou Huaiying , Rao Guanghui 
Published: March 2023

AbstractThe optimization design of micro‐structure and composition is an important strategy to obtain high‐performance metal‐based electromagnetic (EM) wave absorption materials. In this work, ZnO/FeNi composites derived from ZnFeNi layered double hydroxides are prepared by a one‐step hydrothermal method and subsequent pyrolysis process, and can be employed as an effective alternative for high‐performance EM wave absorber. A series of ZnO/FeNi composites with different structures are obtained by varying the molar ratios of Zn2+/Fe3+/Ni2+, and the ZnO/FeNi composites with a Zn2+/Fe3+/Ni2+ molar ratio of 6:1:3 show a hierarchical flower‐like structure. Owing to the strong synergistic loss mechanism of dielectric‐magnetic components and favorable structural features, this hierarchical flower‐like ZnO/FeNi sample supplies the optimal EM wave absorption performance with the highest reflection loss of −52.08 dB and the widest effective absorption bandwidth of 6.56 GHz. The EM simulation further demonstrates that impedance matching plays a determining role in EM wave absorption performance. This work provides a new way for the fabrication of a high‐performance metal‐based EM wave absorber.
Phase Segregation in Cu0.5Ni0.5 Alloy Boosting Urea‐Assisted Hydrogen Production in Alkaline Media
Authors: Zhang Kuanjian , Wang Shaoxia , Li Xinyue , Li Huihui , Ni Yonghong 
Published: March 2023

AbstractCoupling urea oxidation reaction (UOR) and hydrogen evolution reaction (HER) is promising for energy‐efficient hydrogen production. However, developing cheap and highly active bifunctional electrocatalysts for overall urea electrolysis remains challenging. In this work, a metastable Cu0.5Ni0.5 alloy is synthesized by a one‐step electrodeposition method. It only requires the potentials of 1.33 and −28 mV to obtain the current density of ±10 mA cm−2 for UOR and HER, respectively. The metastable alloy is considered to be the main reason causing the above excellent performances. In the alkaline medium, the as‐prepared Cu0.5Ni0.5 alloy exhibits good stability for HER; and conversely, NiOOH species can be rapidly formed during the UOR due to the phase segregation of Cu0.5Ni0.5 alloy. In particular, for the energy‐saving hydrogen generation system coupled with HER and UOR, only 1.38 V of voltage is needed at 10 mA cm−2; and at 100 mA cm−2, the voltage decreases by ≈305 mV compared with that of the routine water electrolysis system (HER || OER). Compared with some catalysts reported recently, the Cu0.5Ni0.5 catalyst owns superior electrocatalytic activity and durability. Furthermore, this work provides a simple, mild, and rapid method for designing highly active bifunctional electrocatalysts toward urea‐supporting overall water splitting.
Proximity Coupling of Graphene to a Submonolayer 2D Magnet
Authors: Sokolov Ivan S. , Averyanov Dmitry V. , Parfenov Oleg E. , Taldenkov Alexander N. , Rybin Maxim G. , Tokmachev Andrey M. , Storchak Vyacheslav G. 
Published: March 2023

AbstractImprinting magnetism into graphene may lead to unconventional electron states and enable the design of spin logic devices with low power consumption. The ongoing active development of 2D magnets suggests their coupling with graphene to induce spin‐dependent properties via proximity effects. In particular, the recent discovery of submonolayer 2D magnets on surfaces of industrial semiconductors provides an opportunity to magnetize graphene coupled with silicon. Here, synthesis and characterization of large‐area graphene/Eu/Si(001) heterostructures combining graphene with a submonolayer magnetic superstructure of Eu on silicon are reported. Eu intercalation at the interface of the graphene/Si(001) system results in a Eu superstructure different from those formed on pristine Si in terms of symmetry. The resulting system graphene/Eu/Si(001) exhibits 2D magnetism with the transition temperature controlled by low magnetic fields. Negative magnetoresistance and the anomalous Hall effect in the graphene layer provide evidence for spin polarization of the carriers. Most importantly, the graphene/Eu/Si system seeds a class of graphene heterostructures based on submonolayer magnets aiming at applications in graphene spintronics.
Microcrack Arrays in Dense Graphene Films for Fast‐Ion‐Diffusion Supercapacitors
Authors: Li Congming , Li Xiangming , Liu Gangqiang , Yu Wei , Yang Zhengjie , Wang Liang , Wang Chao , Yang Qingzhen , Xiao Ronglin , Huang Fei , Tian Hongmiao , Wang Chunhui , Chen Xiaoliang , Shao Jinyou 
Published: March 2023

AbstractLaminated graphene film has great potential in compact high‐power capacitive energy storage owing to the high bulk density and opened architecture. However, the high‐power capability is usually limited by tortuous cross‐layer ion diffusion. Herein, microcrack arrays are fabricated in graphene films as fast ion diffusion channels, converting tortuous diffusion into straightforward diffusion while maintaining a high bulk density of 0.92 g cm−3. Films with optimized microcrack arrays exhibit sixfold improved ion diffusion coefficient and high volumetric capacitance of 221 F cm−3 (240 F g−1), representing a critical breakthrough in optimizing ion diffusion toward compact energy storage. This microcrack design is also efficient for signal filtering. Microcracked graphene‐based supercapacitor with 30 µg cm−2 mass loading exhibits characteristic frequency up to 200 Hz with voltage window up to 4 V, showing high promise for compact, high‐capacitance alternating current (AC) filtering. Moreover, a renewable energy system is conducted using microcrack‐arrayed graphene supercapacitors as filter‐capacitor and energy buffer, filtering and storing the 50 Hz AC electricity from a wind generator into the constant direct current, stably powering 74 LEDs, demonstrating enormous potential in practical applications. More importantly, this microcracking approach is roll‐to‐roll producible, which is cost‐effective and highly promising for large‐scale manufacture.
MHD chemical reactive flow with velocity slip temperature and concentration jump conditions
Authors: Khan Nargis , Hashmi Muhammad Sadiq , Ghaffar Abdul , Ullah Hameed , Inc Mustafa 
Published: March 2023

AbstractThe main purpose of this paper is to examine the effects of velocity slip on the magneto hydrodynamics (MHD) axi‐symmetric viscous fluid flow between two disks having different stretching ratio. The flow takes place in the presence of temperature and concentration jumps. In the presence of joule heating and viscous dissipation, the investigation is carried out. The MHD flows are of utmost importance in industrial and engineering sectors because such flows can control the fluid flows with the help of Lorentz force. MHD flows are also helpful in biological fields such as wound treatments, surgeries, cancer therapy and in diagnosing diseases. The resulting system of PDE's is converted into ODE's by suitable similarity transformation. The HAM is used to solve the resulting non‐linear governing equations. The behavior of velocity, temperature and concentration profiles are observed graphically. When the stretching rate of lower disk is greater than the upper disk then the velocity rises due to increase in stretching ratio. The radial and axial components of velocity increase when the value of magnetic field increases. The temperature profile enhances for Eckert number while converse behavior is seen for stretching ratio parameters. The concentration profile increases when the value of Schmidt number is enhanced.
Perturbations of general relativity to all orders and the general nth order terms
Authors: Cho Kyoungho , Kim Kwangeon , Lee Kanghoon 
Published: March 2023

Abstract
We derive all-order expressions for perturbations of the Einstein-Hilbert action and the Einstein equation with the general n-th order terms. To this end, we employ Cheung and Remmen’s perturbation conventions both in tensor density and the usual metric tensor formalisms, including the Einstein-dilaton theory. Remarkably, we find minimal building blocks that generate the entire perturbations for each of our formulations. We show that the number of terms of perturbations grows linearly as the order of perturbations increases. We regard our results as the reference and discuss how to derive perturbations in other conventions from the reference. As a consistency check, we compute graviton scattering amplitudes using the perturbiner method based on the perturbative Einstein equation. Finally we discuss how to generalise the results to curved backgrounds and incorporate additional matter.
On the three-point order parameters of chiral symmetry breaking
Authors: Kadavý Tomáš , Kampf Karol , Novotný Jiří 
Published: March 2023

Abstract
The nonlocal order parameters of the QCD chiral symmetry breaking, namely the nonanomalous three-point Green functions of the quark bilinears belonging to the odd intrinsic parity sector, are studied within the framework of the Resonance chiral theory. The general form of these correlators is then matched with various high energy constraints: the leading and sub-leading OPE for all three momenta simultaneously large, the leading OPE for two momenta large and the leading and sub-leading Brodsky-Lepage limit for the corresponding transition form factor. In order to satisfy these constraints, the Resonance chiral theory has to be enlarged with additional resonance multiplets and with higher derivative operators as well. We discuss a minimal extension of this kind in detail and present corresponding correlators in a closed form. The remaining free parameters are then constrained from lattice data. As a phenomenological application, we discuss the pion-pole contribution to the muon g − 2 and the decay π0→ e+e−.
Partition functions on squashed seven-spheres and holography
Authors: Zhang Xuao 
Published: March 2023

Abstract
Our paper presents two main results. First, we study the renormalized free energies of Euclidean Einstein gravity in asymptotically AdS8 and various field theories on a squashed seven sphere. In the gravity theory, we demonstrate the absence of the Hawking-Page transition, while in the field theory, we focus on the O(N) vector model and the massless free fermion model. The conformal symmetry governs the universal behaviors of the free energies for small and large squashings, which we confirm numerically and analytically. Second, we evaluate the second-order derivative of CFT free energy with respect to the squashing parameter, finding universal results that hold for generic conformal field theories. We examine two different squashings, one with an SU(2) bundle, which is the primary focus of our paper, and another with a U(1) bundle, where our results align with the conjectured formula from the gravity side in the literature.
Development of a scale for capturing psychological aspects of physical–digital integration: relationships with psychosocial functioning and facial emotion recognition
Authors: Colledani Daiana , Anselmi Pasquale , Robusto Egidio 
Published: March 2023

AbstractThe present work aims at developing a scale for the assessment of a construct that we called “physical–digital integration”, which refers to the tendency of some individuals not to perceive a clear differentiation between feelings and perceptions that pertain to the physical or digital environment. The construct is articulated in four facets: identity, social relationships, time–space perception, and sensory perception. Data from a sample of 369 participants were collected to evaluate factor structure (unidimensional model, bifactor model, correlated four-factor model), internal consistency (Cronbach’s α, McDonald’s ω), and correlations of the physical–digital integration scale with other measures. Results showed that the scale is valid and internally consistent, and that both the total score and the scores at its four subscales are worthy of consideration. The physical–digital integration scores were found to be differently associated with digital and non-digital behaviors, individuals’ ability to read emotions in the facial expressions of others, and indicators of psychosocial functioning (anxiety, depression, and satisfaction with social relationships). The paper proposes a new measure whose scores are associated with several variables that may have relevant consequences at both individual and social levels.
Development and testing of novel mineral oil- and biocide-free glycerol- and propanediol-based fluids for drilling and tapping aluminium alloys
Authors: Leiden Alexander , Arafat Robar , Callegari Marcel , Kolb Marit , Herrmann Christoph , Wichmann Hubertus 
Published: March 2023

AbstractThis research covers the development of novel metalworking fluids for machining of aluminium alloys which are based on renewable raw materials and do not contain mineral oil and conventional biocides. Glycerol/water and propanediol/water solutions were used as base fluids. The formulations were systematically optimized by the addition of performance enhancing additives. Thereby, the optimization steps were guided through laboratory investigations, like determinations of viscosities, corrosion protection properties, foaming characteristics, and microbiological stabilities. Furthermore, the fluids were investigated using tribological Brugger and tapping-torque tests. Finally, the metalworking fluids were applied in experiments on an industrial production machine with the processing routines deep drilling and thread forming. Two Al-alloys were used for the investigations: EN AW 6060 as a soft and EN AW 7075 as a hard alloy. For comparison purposes, a commercially available metalworking fluid for Al-machining, a mineral oil emulsion, was tested in parallel. As a result, a glycerol/water-based metalworking fluid was obtained that had a similar performance to the reference fluid. It is therefore already well suited for machining the Al-alloys. The propanediol/water-based metalworking fluid however was superior to the reference, especially concerning the surface qualities of the workpieces. No toxicological relevant emissions from the novel metalworking fluids were found by air samplings and measurements at the test machine. The concentrations of some identified carbonylic compounds were significantly below the occupational limit values, at least by a factor of 800.