bluuebunny/crossref_metadata_2025 huggingface dataset:
Chemoinformatic Analysis of Isothiocyanates: Their Impact in Nature and Medicine
Authors: Guerrero‐Alonso Araceli , Antunez‐Mojica Mayra , Medina‐Franco José L.
Published: August 2021

Isothiocyanates (ITCs) have a significant impact on food and natural product chemistry. Several dietary components and food chemicals contain the isothiocyanate moiety. In addition, many ITCs interact with macromolecules of biological relevance, making these compounds relevant for potential therapeutic applications and disease prevention. However, there is a lack of systematic analysis of ITCs in chemical and biological databases. Herein, we conducted a comprehensive analysis of ITCs present in public domain databases, including natural products, food chemicals, macromolecular targets of drugs, and the Protein Data Bank. A total of 154 ITCs were found, which can be classified into seven categories: acyclic, cyclic, polycyclic, aromatic, polyaromatic, indolic, and glycosylated. 24 ITCs were reported in 18 vegetable sources, mainly in cruciferous vegetables (Brassica oleracea L.). Calculated properties of pharmaceutical relevance indicated that 11 % of the 154 ITCs would be suitable to be orally absorbed and 48 % permeate the blood‐brain‐barrier. It was also found that seven molecular targets have been co‐crystallized with ITCs and the most frequent is the macrophage migration inhibitory factor. It is expected that this work will contribute to the sub‐disciplines of natural products and food informatics.
Stationary probability density of a stochastic chemostat model with Monod growth response function
Authors: Xu Chaoqun
Published: August 2021

The stationary probability density (SPD) is derived and studied for a stochastic chemostat model with Monod growth response function. First, with the help of polar coordinate transformation and stochastic averaging method, we derive a two‐dimensional diffusion process of averaged amplitude and phase angle. Furthermore, the SPD of the diffusion process is obtained by the corresponding Fokker Planck‐Kolmogorov equation. We also analyze the effects of noise intensities on the geometric property of the SPD.
Oral Spermidine Targets Brown Fat and Skeletal Muscle to Mitigate Diet‐Induced Obesity and Metabolic Disorders
Authors: Wang Di , Yin Jilong , Zhou Zixin , Tao Yan , Jia Yufeng , Jie Haipeng , zhao Jingyuan , Li Ruiyu , Li Yuan , Guo Chun , Zhu Faliang , Mao Haiting , Zhang Lining , Wang Qun
Published: August 2021

Introduction

Obesity causes many life‐threatening diseases. It is important to develop effective approaches for obesity treatment. Oral supplementation with spermidine retards age‐related processes, but its influences on obesity and various metabolic tissues remain largely unknow. This study aims to investigate the effects of oral spermidine on brown adipose tissue (BAT) and skeletal muscle as well as its roles in counteracting obesity and metabolic disorders.

Methods and Results

Spermidine is orally administrated into high‐fat diet (HFD)‐fed mice. The weight gain, insulin resistance, and hepatic steatosis are attenuated by oral spermidine in HFD‐fed mice, accompanied by an alleviation of white adipose tissue inflammation. Oral spermidine promotes BAT activation and metabolic adaptation of skeletal muscle in HFD‐fed mice, evidenced by UCP‐1 induction and CREB activation in both tissues. Notably, oral spermidine upregulates tyrosine hydroxylase in hypothalamus of HFD‐fed mice; spermidine treatment increases tyrosine hydroxylase expression and norepinephrine production in neurocytes, which leads to CREB activation and UCP‐1 induction in brown adipocytes and myotubes. Spermidine also directly promotes UCP‐1 and PGC‐1α expression in brown adipocytes and myotubes.

Conclusion

Spermidine serves as an oral supplement to attenuate obesity and metabolic disorders through hypothalamus‐dependent or ‐independent BAT activation and skeletal muscle adaptation.
Head‐to‐head comparison of pressures during full cystometry, with clinical as well as in‐depth signal‐analysis, of air‐filled catheters versus the ICS‐standard water‐filled catheters
Authors: Rosier Peter F. W. M.
Published: August 2021

Aims

To compare in vivo differences of two catheter systems for urodynamics to further discover their measurement properties.

Methods

Side‐by‐side catheterization with two catheters for intravesical and abdominal pressure during full cystometry in 36 prospectively recruited patients with analysis of mean and absolute differences at urodynamic events and post hoc in‐depth signal analysis comparing the full pressure traces of both systems.

Results

The mean pressure differences at urodynamic events between air‐filled and water‐filled systems are small, however, with a large variation, without a systematic difference. The majority of the intersystem differences are significantly larger than 5 cmH2O. Further analysis showed that urodynamic event pressure differences of both systems at the start of the test were carried forward throughout the remainder of the test without subsequent or additional tendency to differ. Post hoc whole test signal analysis with pressures equalized from the first sample shows high cross‐correlation (>0.981) between the pressure signals per location (rectum and bladder) per test and almost zero‐time shift (<0.05 s) of all cystometry pressure samples.

Conclusions

We confirm earlier studies that showed random differences at events between air‐filled and water‐filled pressures during clinical urodynamic testing and confirm that these are intrinsic but not systematic—and still incompletely explained—offset‐baseline differences. We determined on closer full measurement analysis after equalizing, that both systems are similar in displaying urodynamic pressure variations and amplitudes. We also confirm that both systems require awareness of intrinsic measurement properties during urodynamic testing and especially may necessitate adjustment of pressure offsets into a quantitative diagnosis of a urodynamic test.
New bounds on the condition number of the Hessian of the preconditioned variational data assimilation problem
Authors: Tabeart Jemima M. , Dance Sarah L. , Lawless Amos S. , Nichols Nancy K. , Waller Joanne A.
Published: August 2021

Data assimilation algorithms combine prior and observational information, weighted by their respective uncertainties, to obtain the most likely posterior of a dynamical system. In variational data assimilation the posterior is computed by solving a nonlinear least squares problem. Many numerical weather prediction (NWP) centers use full observation error covariance (OEC) weighting matrices, which can slow convergence of the data assimilation procedure. Previous work revealed the importance of the minimum eigenvalue of the OEC matrix for conditioning and convergence of the unpreconditioned data assimilation problem. In this article we examine the use of correlated OEC matrices in the preconditioned data assimilation problem for the first time. We consider the case where there are more state variables than observations, which is typical for applications with sparse measurements, for example, NWP and remote sensing. We find that similarly to the unpreconditioned problem, the minimum eigenvalue of the OEC matrix appears in new bounds on the condition number of the Hessian of the preconditioned objective function. Numerical experiments reveal that the condition number of the Hessian is minimized when the background and observation lengthscales are equal. This contrasts with the unpreconditioned case, where decreasing the observation error lengthscale always improves conditioning. Conjugate gradient experiments show that in this framework the condition number of the Hessian is a good proxy for convergence. Eigenvalue clustering explains cases where convergence is faster than expected.
Nursing students' perception of medical errors: A cross‐sectional study in a university
Authors: Bam Victoria , Safowaa Adwoa , Lomotey Alberta Yemotsoo , Nkansah Abena Safoa
Published: August 2021

Aim

To assess the perception of nursing students on medical errors.

Design

A descriptive cross‐sectional survey.

Method

Data were collected from March–April 2019 in a university in Ghana from two hundred (200) students using simple random sampling and analysed with SPSS version 21.

Results

Mean age of respondents was 22.64 years. Medication error was perceived as the most common medical errors (MEs; 76%). Negligence was perceived as the most common cause of MEs (80.5%); nurses and doctors (84.5%–89.5%) were considered as staff who make most MEs. Respondents perceived that students commit MEs due to less knowledge about procedures (79%) and inadequate supervision (77%) in the clinical setting.

Conclusion

Medication errors were observed as the most common of MEs that can affect patients' safety. Taking prudent measures in addressing this can reduce MEs in health facilities. Enhanced supervision and effective ways of teaching drug administration are recommended.
Efficient unconditionally stable numerical schemes for a modified phase field crystal model with a strong nonlinear vacancy potential
Authors: Pei Shuaichao , Hou Yanren , Yan Wenjing
Published: August 2021

We consider numerical approximations for a modified phase field crystal model with a strong nonlinear vacancy potential. Based on the invariant energy quadratization approach and stabilized strategies, we develop linear, unconditionally energy stable numerical schemes using the first‐order Euler method, the second‐order backward differentiation formulas and the second‐order Crank–Nicolson method, respectively. We rigorously prove the unconditional energy stability, the mass conservation of these three numerical schemes and carry out error estimates in time for the first‐order numerical scheme. Various numerical experiments in 2D and 3D are carried out to validate the accuracy, energy stability, mass conservation, and efficiency of the proposed schemes.
Potential Energy Surfaces of Vinylogous Wolff Rearrangement: NBO Analysis and Molecular Dynamic Simulation
Authors: Nahzomi Hossein Taherpour , Divsar Faten
Published: August 2021

The potential energy surfaces of the Vinylogous Wolff Rearrangement, an alternative process for the Wolff Rearrangement that takes place β,γ‐unsaturated diazoketones have been fully explored employing M062X model chemistry and in a complementary task by means of the CASSCF method. The NBO analysis has been invoked to reveal the alternations of orbital occupancies and their stabilization energies through some of the critical structures located on the pathways. The calculations establish a two steps process for each pathway involving a second higher energy transition state that seems likely to be the rate determining step in agreement with experimental results. Energy analysis indicates more feasibility of the pathway including diradical intermediate. The most striking feature of the study concerns the finding out a transition state providing a channel in between two pathways through interconversion of the two keys bicyclo[2.1.0]pentanone and diradical intermediates.
Ballistic impact performance of composite laminates based on high‐density polyethylene/montmorillonite nanocomposite and Aramide fiber
Authors: Dias Rafael R. , Zattera Ademir J. , Pereira Iaci M. , Soares Bluma G.
Published: August 2021

Nanostructured thermoplastic consisting of high‐density polyethylene (HDPE) modified with exfoliated montmorillonite (MMT) was successfully used as the matrix for the development of composite for ballistic applications. The effect of HDPE and HDPE/MMT as the matrix on the mechanical and ballistic properties of para‐aramid plain‐woven fabric‐based composites was compared with the commercial composite constituted by polyvinyl‐butyral–phenolic resin as the matrix. The dynamic compressive tests using split Hopkinson pressure bar equipment revealed a remarkable increase of maximum compression strength, outstanding dynamic compressive response, and superior tenacity for the composite containing HDPE/MMT as the matrix. Moreover, the ballistic limit of the HDPE/MMT‐based composite was the highest one. Mechanical failures indicated that this matrix was able to interact with a greater fiber volume and was responsible for improving the ballistic impact energy absorption. Thus, the use of MMT in thermoplastic matrix may be considered a promising ballistic solution due to the possibility of combining lightweight and ballistic resistance.
Synthesis and Properties of Glycidyl Polymers Bearing 1,2,4‐Triazol‐5‐One, 3‐Nitro‐1,2,4‐Triazol‐5‐One and Glycidyl Azide Units
Authors: Sukhanov Gennady T. , Bosov Konstantin K. , Sukhanova Anna G. , Filippova Yulia V. , Krupnova Irina A. , Pivovarova Ekaterina V.
Published: August 2021

Glycidyl triazolone and glycidyl nitrotriazolone polymers and glycidyl triazolone/glycidyl azide copolymers were synthesized by nucleophilic substitution of 1,2,4‐triazol‐5‐one and 3‐nitro‐1,2,4‐triazol‐5‐one heterocycles and azide ion for chlorine atoms in poly(epichlorohydrin), respectively. The structure of the resultant energetic polymers was characterized by 1H,13C NMR, infrared spectroscopy, and elemental analysis (Cl). The density of the obtained polymers was experimentally measured, and data on phase transitions and thermal decomposition were acquired by differential scanning calorimetry (DSC). The triazolone heterocycles inserted into the polymeric chain provided high thermal stability and a much higher density compared to the azide homopolymer GAP. The 1,3‐dipolar cycloaddition demonstrated that spatially branched energy‐rich polymeric binders bearing 1,2,4‐triazol‐5‐one and 1,2,3‐triazole heterocycles could conceptually be synthesized starting from p‐(GTO‐co‐GA) azide copolymers. The aforesaid merits make the reported polymers attractive candidates as the matrix of energetic binders.
Role of Interfaces and Contact Formation for the Application of Lead‐Free Perovskite Materials in Photovoltaic Cells
Authors: Horn Jonas , Schlettwein Derck
Published: August 2021

Perovskite solar cells (PSCs) represent a promising approach toward a climate‐neutral energy supply. Great progress has been made to reach attractive efficiencies of photovoltaic cells at rather low energy input. However, the toxicity of today´s most efficient materials combined with their chemical instability even when assembled to devices poses unsolved problems. Alternative materials have been developed but up to now cannot compete in efficiency. In many instances, such lack of efficiency is caused by problems in contact formation. Aside from reports in cell architecture, a number of studies have focused on the specific investigation of contact phenomena, also in lateral geometry. Chemical reactivity at interfaces and migration of ions in contacts and within the perovskite materials lead to significant hysteresis in electron conduction and photovoltaic properties. Herein, recent results on such investigations for lead‐free perovskite materials are reviewed. The main findings of contact formation with these materials are summarized and the specific impact of different methods of analysis is discussed. By these means, the hope is to provide a good starting ground for groups with new approaches to materials chemistry or device architecture as well as to groups with new approaches to device analysis.
Prediction on the high‐energy density covalent organic frameworks with diamond network
Authors: Hou Hua , Wang Baoshan
Published: August 2021

A new class of high‐energy density covalent organic framework has been predicted on the basis of the extensive quantum chemistry computational studies. Two state‐of‐the‐art energetic materials with the chemical formula C10H8N8 are generated by the inter‐tiling condensation starting from the divergent tertra‐substituted methane and the ditopic glyoxal or hydrazine. Both energetic covalent organic frameworks (eCOFs) involve the 3D interpenetrated diamond nets with the cage vertices connected by either CC or NN bonds. The densities of eCOFs increase to 2.6 g/cm3. Ab initio molecular dynamics simulations prove that eCOF‐300a and eCOF‐300b are thermally stable up to 1200 and 800 K, respectively. The enthalpy of formation was predicted to be 241.8 and 315.0 kcal/mol for eCOF‐300a and eCOF‐300b, respectively. This work provides a great opportunity to extend the applications of COFs to develop new energetic materials with predictable properties and energetic performance superior to CL‐20.
Identification of the metabolites of rhapontigenin in rat and human by ultra‐high‐performance liquid chromatography—high‐resolution mass spectrometry
Authors: An Jingzhi , Yang Jie , Wei Yuan , Liu Yunsi , Song Yan , Zhang Zuzhuo , Pan Ying
Published: August 2021

Rationale

Rhapontigenin, a stilbene compound isolated from the medicinal plant of rhubarb rhizomes, has shown a variety of biological activities. The purpose of this study was to identify and characterize the metabolites of rhapontigenin in rat liver microsomes, hepatocytes, urine, and human liver microsomes and hepatocytes.

Methods

The samples were analyzed by ultra‐high‐performance liquid chromatography combined with electrospray ionization quadrupole/orbitrap high‐resolution mass spectrometry (UPLC‐Q/Orbitrap‐HRMS). The structures of the metabolites were interpreted by MS, MS/MS data, and elemental compositions.

Results

A total of 11 metabolites were detected and tentatively identified. M1, identified as piceatannol, was unambiguously identified using reference standard. Our results suggested that rhapontigenin was metabolized through the following pathways: (a) demethylation to produce piceatannol (M1), which further underwent oxidation to form ortho‐quinone intermediate. This intermediate was reactive and conjugated with GSH (M10 and M11), which were further converted into N‐acetyl‐cysteine and excreted in urine. M1 also underwent sulfation (M8) and glucuronidation (M5); (b) direct sulfation, forming M6 and M7; and (c) direct glucuronidation to form M2, M3, and M4. Glucuronidation was a major metabolic pathway in hepatocytes and urine.

Conclusions

The current study provides an overview of the metabolism of rhapontigenin, which is of great importance for us to understand the disposition of this compound.
Mesenchymal stem cells and their derived exosomes to combat Covid–19
Authors: Yousefi Dehbidi Maryam , Goodarzi Nima , Azhdari Mohammad H. , Doroudian Mohammad
Published: August 2021

Severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is causing an ongoing pandemic of coronavirus disease 2019 (Covid‐19). Effective therapies are required for the treatment of patients with severe stages of the disease. Mesenchymal stem cells (MSCs) have been evaluated in numerous clinical trials, but present challenges, such as carcinogenic risk and special storage conditions, coupled with insufficient data about their mechanism of action. The majority of unique properties of MSCs are related to their paracrine activity and especially to their exosomes. The impact of MSCs‐derived exosomes (MSC‐Es) on complications of Covid‐19 has been investigated in several studies. MSC‐Es may improve some complications of Covid‐19 such as cytokine storm, acute respiratory distress syndrome (ARDS) and acute lung injury (ALI). Additionally, these exosomes can be evaluated as an applicable nano‐size carrier for antiviral therapeutic agents. Herein, we consider several potential applications of MSCs and their derived exosomes in the treatment of Covid‐19.
Water‐Soluble Conjugated Polyelectrolyte Hole Transporting Layer for Efficient Sky‐Blue Perovskite Light‐Emitting Diodes
Authors: Liu Yanliang , Zhang Luozheng , Chen Shi , Liu Chang , Li Yaru , Wu Jiawen , Wang Deng , Jiang Zhengyan , Li Yan , Li Yang , Wang Xingzhu , Xu Baomin
Published: August 2021

An optimized charge transporting layer (CTL) under perovskite film is crucial for efficient photoelectric devices. Here, a new water‐soluble conjugated polyeletrolyte (CPE) with CH3NH3+ (MA+) counterion termed as TB(MA) is used as the hole transporting layer (HTL) instead of the acidic poly(3,4‐ethylenedioxythiophene):poly‐styrene sulfonate (PEDOT:PSS) in sky‐blue perovskite light‐emitting diodes (PeLEDs). The inherent hydrophilicity of CPE enables a well‐growth of quasi‐2D perovskite layer with uniform and compact morphology, enhanced crystallinity with rare defect density and excellent energy transfer, resulting in a high photoluminescence quantum yield (PLQY) up to 62.0%. Especially, the MA+ counterion is able to passivate the interfacial defects in the perovskite, which optimize the interfacial compatibility between HTL and perovskite film. Finally, efficient sky‐blue PeLEDs, emitting at 488 nm, are fabricated with high external quantum efficiency (EQE) up to 13.5% by using CPE as HTL. In addition, due to the low‐temperature processability of water‐soluble CPE, an efficient flexible sky‐blue PeLEDs based on PEN/ITO substrate is also obtained with high EQE of 8.3%. Using CPE as HTL is an effective strategy toward fabricating efficient blue PeLEDs.
Nanoscaled and Atomic Ruthenium Electrocatalysts Confined Inside Super‐Hydrophilic Carbon Nanofibers for Efficient Hydrogen Evolution Reaction
Authors: Xie Qianjie , Wang Zheng , Lin Like , Shu Yu , Zhang Jingjing , Li Cong , Shen Yehua , Uyama Hiroshi
Published: August 2021

A series of Ru‐based catalysts have been developed for the hydrogen evolution reaction (HER) by the facile impregnation of copious and eco‐friendly bacterial cellulose (BC) with Ru(bpy)3Cl2 (bpy = 2,2′‐bipyridine) followed by pyrolysis. After the oxidation and molecular recomposition processes that occur within the BC precursors during pyrolysis, sub‐2 nm Ru nanoparticles (NPs) and atomic Ru species confined within surface‐oxidized N‐doped carbon nanofibers (CNFs) can be observed in the derived catalysts. The surface oxidation of CNFs leads the derived catalysts with super hydrophilicity and water‐absorbing capacity, and also provides dimensional confinement for the nanoscaled and atomic Ru species. With these added structural advantages and the component synergy, the derived catalysts show superior HER activities, for which the overpotentials are as low as 19.6 mV (1 m KOH) and 55.0 mV (0.5 m H2SO4) for the most active case at the current density of 10 mA cm−2. Moreover, superior HER activity can be also achieved for the catalysts derived with a wide range of Ru loadings. Finally, the influence of Ru NP size on HER activity is investigated by density functional theory simulations. This method provides a reliable protocol for preparing highly active HER catalysts for scale‐up applications.
Construction of Lattice Strain in Bimetallic Nanostructures and Its Effectiveness in Electrochemical Applications
Authors: Li Can , Yan Shaohui , Fang Jiye
Published: August 2021

Bimetallic nanocrystals (NCs), associated with various surface functions such as ligand effect, ensemble effect, and strain effect, exhibit superior electrocatalytic properties. The stress‐induced surface strain effect can alter binding strength between the surface active sites and reactants as well as their intermediates, and the electrochemical performance of bimetallic NCs can be significantly facilitated by the lattice‐strain modification via their morphologies, sizes, shell‐thickness, surface defectiveness as well as compositions. In this review, an overview of fundamental principles, characterization techniques, and quantitative determination of the surface lattice strain is provided. Various strategies and synthesis efforts on creating lattice‐strain‐engineered bimetallic NCs, including the de‐alloying process, atomic layer‐by‐layer deposition, thermal treatment evolution, one‐pot synthesis, and other efforts are also discussed. It is further outlined how the lattice strain effect promotes electrochemical catalysis through the selected case studies. The reactions on oxygen reduction reaction, small molecular oxidation, water splitting reaction, and electrochemical carbon dioxide reduction reactions are focused. In particular, studies of lattice strain arisen from core–shell nanostructure and defectiveness are highlighted. Lastly, the potential challenges are summarized and the prospects of lattice‐strain‐based engineering on bimetallic nanocatalysts with suggestion and guidance of the future electrocatalyst design are envisioned.
Redox Active Cerium Oxide Nanoparticles: Current Status and Burning Issues
Authors: Lord Megan S. , Berret Jean Francois , Singh Sanjay , Vinu Ajayan , Karakoti Ajay S.
Published: August 2021

Research on cerium oxide nanoparticles (nanoceria) has captivated the scientific community due to their unique physical and chemical properties, such as redox activity and oxygen buffering capacity, which made them available for many technical applications, including biomedical applications. The redox mimetic antioxidant properties of nanoceria have been effective in the treatment of many diseases caused by reactive oxygen species (ROS) and reactive nitrogen species. The mechanism of ROS scavenging activity of nanoceria is still elusive, and its redox activity is controversial due to mixed reports in the literature showing pro‐oxidant and antioxidant activity. In light of its current research interest, it is critical to understand the behavior of nanoceria in the biological environment and provide answers to some of the critical and open issues. This review critically analyzes the status of research on the application of nanoceria to treat diseases caused by ROS. It reviews the proposed mechanism of action and shows the effect of surface coatings on its redox activity. It also discusses some of the crucial issues in deciphering the mechanism and redox activity of nanoceria and suggests areas of future research.
Kinetics of Ion Migration in the Electric Field‐Driven Manipulation of Magnetic Anisotropy of Pt/Co/Oxide Multilayers
Authors: Fassatoui Aymen , Ranno Laurent , PeñaGarcia Jose , Balan Cristina , Vogel Jan , Béa Hélène , Pizzini Stefania
Published: August 2021

Magneto‐ionics is a fast developing research field which opens the perspective of energy efficient magnetic devices, where the magnetization direction is controlled by an electric field which drives the migration of ionic species. In this work, the interfacial perpendicular magnetic anisotropy (PMA) of Pt/Co/oxide stacks covered by ZrO2, acting as a ionic conductor, is tuned by a gate voltage at room temperature. A large variation of the PMA is obtained by modifying the oxidation of the cobalt layer through the migration of oxygen ions: the easy magnetization axis can be switched reversibly from in‐plane, with under‐oxidized Co, to in‐plane, with over‐oxidized Co, passing through an out‐of‐plane magnetization state. The switching time between the different magnetic states is limited by the ion drift velocity. This depends exponentially on the gate voltage, and is varied by over five orders of magnitude, from several minutes to a few ms. The variation of the PMA versus time during the application of the gate voltage can be modeled with a parabolic variation of the PMA and an exponential decrease of the Co oxidation rate. The possibility to explain the observed effect with a simple theoretical model opens the possibility to engineer materials with optimized properties.
Mechanical Robust Flexible Single‐Component Organic Solar Cells
Authors: Xie Chengcheng , Jiang Xudong , Zhu Qinglian , Wang Dan , Xiao Chengyi , Liu Chunhui , Ma Wei , Chen Qiaomei , Li Weiwei
Published: August 2021

Owing to the advantages of being lightweight and compatible with surfaces with different deformations, flexible organic solar cells (OSCs) have broad scopes of applications, including wearable electronics and portable devices. Most flexible OSCs focus on the two‐component bulk‐heterojunction (BHJ) photo‐active layers, but they usually suffer from degradation problems both in efficiency and mechanical durability derived from the limited phase stability under mechanical and thermal stress. Whereas, single‐component organic solar cells (SCOSCs) based on the double‐cable conjugated polymer are supposed to possess excellent mechanical robustness and long‐term stability. Here, the first flexible SCOSCs based on a double‐cable polymer are fabricated on a transparent silver nanowires (AgNWs) electrode on a plastic foil. Impressively, the obtained flexible SCOSCs exhibited a power conversion efficiency (PCE) of 7.21%. The flexible SCOSCs are further demonstrated to possess superior mechanical robustness (>95% retention after 1000 bending cycles) and storage stability (>97% retention after 430 h in nitrogen atmosphere) compared to several BHJ‐type flexible OSCs. The pseudo‐free‐standing tensile test and morphology investigation are conducted to reveal the distinction in mechanical durability of the single‐component polymer film and the BHJ‐type films. Besides, ultraflexible SCOSCs are also fabricated, indicating the application prospect and superiority in flexible devices and wearable electronic products.
Multiple‐Ring Aromatic Spacer Cation Tailored Interlayer Interaction for Efficient and Air‐Stable Ruddlesden–Popper Perovskite Solar Cells
Authors: Liu Chang , Liu Rui , Bi Zhuoneng , Yu Yue , Xu Gang , Hou Hongming , Wu Qiaofeng , Yu Hua , Xu Xueqing
Published: August 2021

2D Ruddlesden–Popper (2DRP) perovskites with hydrophobic bulky cations are proven to improve the environmental stability in photovoltaic devices significantly. However, these spacer cations lead to a weak interplay in the 2DRP perovskites, severely impacting the charge carrier transport and require a systematic understanding of the interaction between spacer cations and inorganic slabs. Herein, a series of novel perovskites (BA1−xNMAx)2MA3Pb4I13 (NMA = 1‐naphthalenemethylammonium, BA = n‐butylammonium) are successfully fabricated to reveal the interaction of mixed spacers and inorganic slabs. Incorporating NMA cations enhances the NH⋯I− hydrogen‐bonding interaction between the spacer cations and [PbI6]4− slabs, resulting in a preferentially crystal vertical orientation of smoothed perovskite films with larger crystal grains. Thus, a significant reduction in the density of trap states of the resulting 2DRP perovskites is achieved which leads to highly efficient charge carrier transport. Consequently, the champion (BA0.9NMA0.1)2MA3Pb4I13 device yields a power conversion efficiency (PCE) of 14.21%, along with the unencapsulated devices that can retain 85% of their initial PCE for 1200 h under 35–65% relative humidity conditions. This work provides a simple and original method to modulate the interlayer interplay in 2DRP perovskites for highly efficient and air‐stable perovskite solar cells.
Effect of Shot Peening on Microstructures and High‐Temperature Tribological Properties of 4Cr9Si2 Valve Steel
Authors: Jia Siyu , Qu Shengguan , Hu Xiongfeng , Lai Fuqiang , Duan Chenfeng , Li Xiaoqiang
Published: August 2021

Herein, shot peening (SP) using different parameters is performed on 4Cr9Si2 martensite engine valve steel at elevated temperatures. The microstructure of the modified layer is characterized via optical microscopy (OM), transmission electron microscopy (TEM), and X‐ray diffraction (XRD). High‐temperature wear tests are performed under dry sliding conditions at 450 °C using a pin‐on‐disc wear tester, and the worn surface is evaluated via scanning electron microscopy (SEM) and energy‐dispersive spectroscopy (EDS). The results show that SP refines the grains on the top surface to 19.8 nm and yields numerous dislocations. Meanwhile, the compressive residual stress and microhardness of the treated surface increase to −575 MPa and 486.33 HV0.2, respectively. At elevated temperatures, the increase in hardness provides resistance to plastic deformation and improves the performance of the oxide film. Compared with an untreated sample, sample SP4 shows a 65.23% decrease in wear rate and its wear resistance improves significantly at elevated temperatures. In addition, the wear mechanisms of SP‐treated samples are primarily oxidation wear and delamination.
In Situ Observations and Microstructure Evolution Behavior of Static Recrystallization of Microalloyed Continuous Casting Slabs in a Solidification End Reduction Process
Authors: Wei Zi-Jian , Ji Cheng , Chen Tian-Ci , Zhu Miao-Yong
Published: August 2021

Solidification end reduction is a novel technique that can effectively refine the microstructure and improve the homogeneity in continuously cast steel. Herein, the static recrystallization (SRX) behaviors and microstructure evolution of microalloyed continuous casting slabs during the heavy reduction (HR) process are simulated and analyzed by means of high‐temperature laser scanning confocal microscopy (HT‐LSCM). According to the statistical results of microstructure, the insulation temperature has a more significant effect on the SRX fraction and recrystallization grain size compared with the strain rate, initial austenite grain size, and prestrain, and a modified SRX kinetic model is proposed. Furthermore, a deforming microstructure is observed at different strains and holding times with electron backscatter diffraction (EBSD), and it is found that the reduction of high‐angle boundaries (HAGBs, θ > 15°) of 25°–35° is related to strain‐induced boundary migration (SIBM). The stored deformation energy of HAGBs is higher than that of very low‐angle boundaries (VLAGBs, θ < 5°) by the detailed misinterpretation profile analysis of the block and lath boundaries. Finally, the combination of in situ observation and EBSD analysis shows that the stored deformation energy provides the driving force for the SRX process, which, in turn, consumes dislocations to stabilize the microstructure.
Basalt‐polypropylene fiber reinforced concrete for durable and sustainable pipe production. Part 2: Numerical and parametric analysis
Authors: Deng Zhiyun , Liu Xinrong , Chen Peng , de la Fuente Albert , Zhao Yahong , Liang Ninghui , Zhou Xiaohan , Du Libing , Han Yafeng
Published: August 2021

A nonlinear 3D FEM was developed for reproducing the three‐edge bearing test (TEBT) of pipes. The model was validated by considering the experimental results on standard reinforced concrete pipes (RCPs) and fiber‐reinforced concrete pipes (FRCPs) with 1000 mm internal diameter presented in the Part 1. The relative error between numerical simulation and laboratory test results for both the service (D0.3) and the ultimate (Du) D‐load (DL) were lesser than 2.1% and 6.3%, respectively. Additionally, a new structural design process that takes into consideration the geometric and mechanical variables involved into the TEBT of pipes, including the type and reinforcement configuration, is proposed. Because of applying this approach, design‐oriented tables with minimum steel‐cage reinforcement ratios for RCPs and FRCPs valid for pipes with inner diameters ranging from 300 mm to 1800 mm are established for the pipe strength classes I to V and wall thickness A, B, and C defined in the ASTM C76. Based on the numerical results, it can be confirmed that the hybrid use of basalt‐polypropylene fibers permits to reduce the steel reinforcement ratio respect to the equivalent RCP and, for some diameters and strength classes, the total elimination. These results represent a step forward in the use of fiber reinforced concrete in the pipe industry, which can lead to more durable and sustainable piping products.
Teaching science to transgress: Portraits of feminist praxis
Authors: Tolbert Sara , Gray Salina , Rivera Marelis , Schindel Alexa
Published: August 2021

Drawing from intersectional feminist scholarship, we communicate how Salina and Marelis, both women of color, teach science for social justice in the face of significant institutional challenges. Theorizing from their experiences and practices, we articulate a feminist praxis for school science, which includes (1) building community and collectivist orientations, (2) cultivating joy from/within the margins, (3) naming and dismantling inequities, and (4) repositioning students—practices that have profound implications for improving the school science experiences of underrepresented students in science, including girls of color and other marginalized students. Finally, we highlight the ways in which women of color negotiate, repurpose, and transform institutional and disciplinary barriers to reimagine the world(s) of school science.
Data‐Driven Controller Tuning for Unmeasurable Outputs to Achieve Desired Tracking Properties
Authors: Suzuki Motoya , Kaneko Osamu
Published: August 2021

Conventional parameter‐tuning methods, such as virtual reference feedback tuning and fictitious reference iterative tuning (FRIT), are not applicable to plants where the variables to be controlled cannot be measured. In this work, we propose a new method of controller parameter tuning for this class of systems. In the proposed method, the controller can be tuned using one‐shot experimental observation and manipulation data. The proposed method can help tune the controller parameters without the plant model by using a manipulated variable and an observed variable. The validity of the proposed methods was also verified by a motor speed‐control experiment. The experimental results show that the proposed method can help realize good control parameters without observing the controlled variable. Compared to FRIT, the proposed method has the following advantages: the closed‐loop response is very close to the desired response even if the output signals cannot be observed. © 2021 Institute of Electrical Engineers of Japan. Published by Wiley Periodicals LLC.
Kampo medicine prescriptions for hospitalized patients in Tohoku University Hospital
Authors: Sugimine Ryo , Kikukawa Yuna , Kurihara Daisuke , Arita Ryutaro , Takayama Shin , Kikuchi Akiko , Ohsawa Minoru , Ishii Tadashi
Published: August 2021

Aim

Traditional Japanese medicine (Kampo medicine; KM) is widely used together with modern medicine in clinical settings. However, KM prescription trends during hospitalization has never been reported for Japanese university hospitals. This study aimed to investigate the KM prescription trends for hospitalized patients at a university hospital in Japan. The present study was conducted in a ‘Problem‐based Learning’ workshop in a second‐grade class at the Tohoku University School of Medicine.

Methods

Using the drug prescription data of Tohoku University Hospital between October 2017 and September 2018, we identified hospitalized patients who were prescribed KM, which included 17 formulations. We investigated the prescription trends, sex, and age distribution of patients, and diseases for which KMs were prescribed.

Results

Of the 19 249 patients, 1229 patients (6.4%) were newly prescribed KM during admission. The average age was 60.2 ± 18.8 years, and female patients accounted for 51.4%. The most prescribed KM was daikenchuto (485 patients), mainly for post‐operative patients in the surgical departments and psychosomatic patients with gastrointestinal symptoms in the psychiatric departments. Yokukansan was used for dementia patients in the geriatric medicine department and for delirium patients in the intensive care unit. Rikkunshito was administered to patients after gastric cancer surgery and to patients with anorexia nervosa. Daikenchuto and shakuyakukanzoto were more frequently prescribed to men, and goreisan and goshajinkigan were more frequently prescribed to women.

Conclusion

Kampo Medicines were prescribed for specific diseases or conditions at various inpatient departments in the university hospital.
Usefulness of hangekobokuto (Banxia‐houpo‐tang) to treat panic disorder in patients with bipolar disorder: A case report
Authors: Nakajima‐Ohyama Kakusho Chigusa , Shizusawa Yoshie , Tanimukai Hitoshi
Published: August 2021

Case

A woman in her early 40s with bipolar disorder had panic disorder. She had to avoid selective serotonin reuptake inhibitors (SSRIs), the standard medication for panic disorder, which could cause a switch to mania in bipolar disorder.

Outcome

The attacks decreased without a switch to mania after she started taking hangekobokuto (banxia‐houpo‐tang). Hangekobokuto is reported to increase serotonin in the brain. According to another report, hangekobokuto reduced c‐fos expression, a marker of neuronal activity in the hippocampus only in the animal model of depression, while SSRIs reduced it in both depressive and control animals. This suggests that, unlike SSRIs, hangekobokuto may not have unnecessary effects which might induce elated mood in non‐depressive cases. Therefore, hangekobokuto might be safer than SSRIs for non‐depressive biplolar patients like this patient.

Conclusion

Hangekobokuto could be one of the options to treat panic disorder in patients with bipolar disorder, although further study is necessary.
Two cases (a cat and a dog) illustrating computed tomographic features distinguishing an accessory lung lobe mass from a caudal mediastinal origin
Authors: Kormpou Foteini , Taeymans Olivier , Esmieu Shanti Lucie , Ribas Ariadna , Caine Abby
Published: August 2021

A seven‐year‐old female Chinchilla cat and a 13‐year‐old male Cocker Spaniel were presented to Dick White Referrals for respiratory difficulties and cough, respectively. Based on radiographic and CT findings, including the midline location of the lesion and its mass effect on mediastinal structures, a caudodorsal mediastinal mass was considered more likely than a pulmonary origin in both cases. However, further investigations in the form of thoracic ultrasound and ultrasound‐guided fine needle aspirates in the first case and histopathology in the second, revealed the presence of an accessory lobe pulmonary carcinoma in both cases. Retrospective review of these cases allowed identification of CT features that can be used to distinguish mediastinal and accessory lung lobe masses in future cases, including absence of part or all of the accessory lobe and its lobar bronchus, presence of gas in the lesion and the shape of the lesion mimicking a lung lobe.
Accuracy of heart girth tapes in the estimation of weights of pre‐weaned calves
Authors: Sherwin Virginia , Hyde Robert , Green Martin , Remnant John , Payne Emily , Down Peter
Published: August 2021

Background

Heart girth tapes (HGTs) are often used as an alternative to weight scales for calves. This study investigated the accuracy of HGT in estimating bodyweight and daily liveweight gain (DWLG) of pre‐weaned calves, and the impact of inter‐observer variation.

Method

In Study 1, 119 calves were weighed using HGT and electronic scales on multiple occasions. Mixed‐effects models for both bodyweight and DLWG were used to determine the accuracy of HGT compared to the electronic scales. Simulation data were used to further analyse the accuracy of DLWG estimation including for factors such as the effect of group size on group DLWG estimates.

In Study 2, 10 observers weighed 20 pre‐weaned calves, using HGT and electronic scales. Mixed‐effect model was used to investigate the impact of different observers on the accuracy of HGT on measuring bodyweights.

Results

Mixed‐effects model results suggest HGT provides a relatively accurate estimation of weight (MAE: 2.66 kg) and relatively inaccurate estimation of DLWG (MAE 0.10 kg/d). Simulated data identified associations between time between weight dates and error in DLWG estimation, with MAE of individual DLWG estimation decreasing from 0.43 kg/d when 14 days apart to 0.08 kg/d when 70 days apart. Increased calf numbers reduced error rates of group DLWG estimation, with <0.05 kg/d error achieved in >90% of simulations when 12 calves were weighed 70 days apart.

Conclusions

HGTs are relatively accurate at estimating individual bodyweights but are unreliable methods for measuring DLWG in individual calves, particularly weighed within a short‐time period. Estimates at group level however are relatively accurate, providing there is a suitable period of time between weigh dates and an appropriate number of calves per group.
«Permanente Intervention» in der Praxis: Iran als Klientelstaat der USA im Kalten Krieg, 1953-1960
Authors: Popp Roland
Published: August 2021

Der entscheidend durch anglo-amerikanisches Eingreifen ermöglichte Machtwechsel in Iran von Mosaddeġ zu Zāhedi erschien anfangs nicht als ein historischer Wendepunkt. Eine Einschätzung von NEA im State Department warnte unmittelbar nach dem Staatsstreich vor allzu großen Erwartungen. In Iran sei weiterhin eine „Revolution“ im Gange, die Teil der allgemein zu beobachtenden „Welle des Nationalismus“ sei, die die neuen Staaten in Asien ergriffen habe.
Transformation und monarchische Prärogative: Der Niedergang des amerikanischen Reformismus, 1962-1963
Authors: Popp Roland
Published: August 2021

Noch im Oktober 1961 konnte man den Eindruck gewinnen, dass die amerikanische Entschlossenheit, das „Amini-Experiment“ in Iran zu einem erfolgreichen Ende zu führen, ungebrochen ist. Im Anschluss an die anglo-amerikanische Intervention zugunsten der Reformregierung schien tatsächlich ein neues, einigen Optimismus rechtfertigendes Verhältnis zwischen Ministerpräsident Amini und Mohammad Rezā entstanden zu sein. Chester Bowles stattete in seiner neuen Rolle als Sonderbeauftragter des Präsidenten für die Dritte Welt im Februar 1962 Teheran einen Besuch ab, der in erster Linie das fortgesetzte Interesse der Administration an Iran dokumentieren sollte.
«An Unconditional Ally»: Die Etablierung Irans als Stellvertreter westlicher Interessen in der Nahostregion, 1967-1975
Authors: Popp Roland
Published: August 2021

Im August 1968 nahm Botschafter Armin Meyer an einer Gedenkfeier zum 15. Jahrestag des 28. Mordād, des Sturzes des ehemaligen Ministerpräsidenten Mosaddeġ und der Rückkehr Mohammad Rezās auf den Thron, ausgerichtet von der Tāǧ-o-l-Moluk, der Mutter des Schahs, teil. Meyer registrierte die Abwesenheit der wichtigsten Akteure der Begebenheiten von 1953 trotz einer Gästezahl von einigen Hundert. Statt der damaligen Protagonisten dominierten jetzt servile Staatsbeamte und die unausweichliche Jeunesse dorée Teherans die Veranstaltung. Es sei eine heitere Feier mit spektakulärem Feuerwerk gewesen, berichtete der Botschafter: „But few had a clue as to what was being celebrated.“
Ultraviolet behaviour of Higgs inflation models
Authors: Antoniadis Ignatios , Guillen Anthony , Tamvakis Kyriakos
Published: August 2021

Abstract

We study the ultraviolet behaviour of Higgs inflation models above the apparent unitarity violation scale arising from the large non minimal coupling to gravity, by computing on-shell 4-point scattering amplitudes in the presence of a large inflaton background, away from the electroweak vacuum. We find that all tree-level amplitudes are well behaved at high energies below the inflaton background that can thus take values up to the Planck scale. This result holds in both the metric and Palatini formulation, and is independent of the frame (Jordan or Einstein) as expected. The same result also holds if an R2 term is added to the action.
Automorphism Groups of Symmetric and Pseudo-real Riemann Surfaces
Authors: Tyszkowska Ewa
Published: August 2021

The category of smooth, irreducible, projective, complex algebraic curves is equivalent to the category of compact Riemann surfaces. We study automorphism groups of Riemann surfaces which are equivalent to complex algebraic curves with real moduli. A complex algebraic curve C has real moduli when the corresponding surface $$X_C$$

X
C

admits an anti-conformal automorphism. If no such an automorphism is an involution (symmetry), then the surface $$X_C$$

X
C

is called pseudo-real and the curve C is isomorphic to its conjugate, but is not definable over reals. Otherwise, the surface $$X_C$$

X
C

is called symmetric and the curve C is real.