bluuebunny/crossref_metadata_2025 huggingface dataset:
Understanding equivalent circuits in perovskite solar cells. Insights from drift-diffusion simulation
Authors: Riquelme Antonio J. , Valadez-Villalobos Karen , Boix Pablo P. , Oskam Gerko , Mora-Seró Iván , Anta Juan A.
Published: June 2022

Perovskite solar cells have reached impressively high efficiencies in a short period of time; however, the optoelectronic properties of halide perovskites are very complex due to the coupled ionic–electronic dynamics.
CSinGe4−n2+(n= 1–3): prospective systems containing planar tetracoordinate carbon (ptC)
Authors: Das Prasenjit , Khatun Maya , Anoop Anakuthil , Chattaraj Pratim Kumar
Published: June 2022

Density functional theory based computation predicts the presence of a planar tetracoordinate carbon (ptC) in the global minimum energy structures of CSinGe4−n2+(n= 1–3) systems.
Essential role of sunlight irradiation in aqueous micropollutant transformations: influence of the water matrix and changes in toxicities
Authors: Wu De-Xiu , Huang Wen-Cheng , Liang Zi-Fan , Wang Wen-Long , Xiang Tao , Wang Gang , Du Ye , Wu Qian-Yuan
Published: June 2022

We review the sunlight-induced photodegradation of micropollutants in water.
Interplay between interdiffusion and shape transformations in nanoalloys evolving from core–shell to intermixed structures
Authors: Nelli Diana , Mottet Christine , Ferrando Riccardo
Published: June 2022

Molecular dynamics simulations allow us to identify the transformation pathways of AgAu, PtPd and AuCu nanoalloys from core–shell to intermixed configurations.
Spiers Memorial Lecture: Theory of unimolecular reactions
Authors: Klippenstein Stephen J.
Published: June 2022

The historical and continuing advances in our understanding of unimolecular reaction dynamics have arisen from the synergy between improvements in experimental measurements and in theoretical methodologies.
Rice hull insoluble dietary fiber alleviated experimental colitis induced by low dose of dextran sulfate sodium in cadmium-exposed mice
Authors: Tian Xuena , Wang Guangliang , Jin Kenan , Ding Yixin , Cheng Dai
Published: June 2022

Cadmium (Cd) can invade gastrointestinal tract and induce the occurrence of gastrointestinal diseases. Rice hull insoluble dietary fiber (RHF) could be used as a novel dietary supplement strategy against Cd exacerbated colitis.
Ce and Nd stable isotope purification and determination of geological samples by MC-ICP-MS
Authors: Bai Jiang-Hao , Ma Jin-Long , Wei Gang-Jian , Zhang Le , Zhong Song-Xiong
Published: June 2022

A TODGA resin column was used to isolate Ba, La, Ce, Pr and Nd from geological samples.
Ultra-sensitive speciation analysis of inorganic platinum-chloride complexes in platinum-based drugs by HPLC-ICP-MS
Authors: Yao Zhenzhen , Li Bingru , Li Cheng , Wang Beihong , Zhao Meng , Ma Zhihong
Published: June 2022

This work establishes a hyphenated methodology coupling HPLC with ICP-MS for the determination of platinum chloride complexes as synthetic impurities of platinum-based drugs for the first time.
Graphene BioFET sensors for SARS-CoV-2 detection: a multiscale simulation approach
Authors: Toral-Lopez A. , Kokh D. B. , Marin E. G. , Wade R. C. , Godoy A.
Published: June 2022

Two-dimensional (2D) materials BioFETs have already demonstrated their potential for detecting low amounts of molecules. Here, we present a multiscale simulation platform in the context of Graphene BioFET for the detection of SARS-CoV-2.
Exploring the catalytic activity of Nb4C3Tx MXene towards the degradation of nitro compounds and organic dyes by in situ decoration of palladium nanoparticles
Authors: Shabana Neermunda , Arjun Ajith Mohan , Rasheed P. Abdul
Published: June 2022

We report on the catalytic activity of Nb4C3Tx based composites towards the catalytic reduction of nitro compounds and organic dyes for the first time.
Construction of high-performance g-C3N4-based photo-Fenton catalysts by ferrate-induced defect engineering
Authors: Zhang Zhihao , Cui Lifeng , Wang Yangang , Ding Chenjie , Sun Beili , Cao Ziqi , Gao Weikang , Kang Shifei
Published: June 2022

A highly-efficient Fe–g-C3N4 photo-Fenton catalyst was prepared using ferrate as a critical iron source and defect control additive. The complementary synergistic effects of Fe species and defect sites promote photoelectron transfer.
Hidden piezoelectric performances of BiFeO3-based textured ceramics
Authors: Shi Yunjing , Dong Xiaoyu , Shen Bo , Zhai Jiwei
Published: June 2022

A 33% enhancement of the d33 value was obtained in the quenched sample, which was ascribed to the distorted structure and reduced oxygen vacancies.
The regioselectivity of the sulfonylation of tetrazoles: a theoretical view
Authors: Liu Chen-Chen , Qiao Bolin , Qu Ling-Bo , Zhang Tao , Li Shi-Jun , Lan Yu
Published: June 2022

DFT calculations were performed to reveal the regioselectivity for the sulfonylation of tetrazoles.
Covalent organic framework with sulfonic acid functional groups for visible light-driven CO2 reduction
Authors: Li Wanrong , Wang Qian , Cui Fuzhi , Jiang Guofang
Published: June 2022

In this study, covalent organic framework (TpPa–SO3H) photocatalyst with sulfonic acid function groups was synthesized using a solvothermal method.
Strategies to improve electrocatalytic performance of MoS2-based catalysts for hydrogen evolution reactions
Authors: Zhang Xinglong , Hua Shiying , Lai Long , Wang Zihao , Liao Tiaohao , He Liang , Tang Hui , Wan Xinming
Published: June 2022

In this review, we summarize three general classes of effective strategies to enhance the HER activity of MoS2 and DFT calculation methods, i.e. defect engineering, heterostructure formation, and heteroatom doping.
Retraction: One pot green preparation of Seabuckthorn silver nanoparticles (SBT@AgNPs) featuring high stability and longevity, antibacterial, antioxidant potential: a nano disinfectant future perspective
Authors: Kalaiyarasan Thiyagarajan
Published: June 2022

Retraction of ‘One pot green preparation of Seabuckthorn silver nanoparticles (SBT@AgNPs) featuring high stability and longevity, antibacterial, antioxidant potential: a nano disinfectant future perspective’ by Thiyagarajan Kalaiyarasan et al., RSC Adv., 2017, 7, 51130–51141, https://doi.org/10.1039/C7RA10262C.
Coherent vibrational dynamics of Au144(SR)60 nanoclusters
Authors: Zhang Wei , Kong Jie , Li Yingwei , Kuang Zhuoran , Wang He , Zhou Meng
Published: June 2022

The coherent vibrational dynamics of Au144(SR)60 nanoclusters was revealed by temperature-dependent ultrafast transient absorption spectroscopy. Both excited-state and ground-state wavepacket motions contribute to the vibrational coherence.
Single-walled carbon nanotube reptation dynamics in submicron sized pores from randomly packed mono-sized colloids
Authors: Tang Zhao , Eichmann Shannon L. , Lounis Brahim , Cognet Laurent , MacKintosh Frederick C. , Pasquali Matteo
Published: June 2022

Studying the Brownian motion of fibers and semi-flexible filaments in porous media is the key to understanding the transport and mechanical properties in a variety of systems.
Promise and reality of organic electrodes from materials design and charge storage perspective
Authors: Banerjee Amitava , Khossossi Nabil , Luo Wei , Ahuja Rajeev
Published: June 2022

Organic electrode materials are becoming increasingly important as they could reduce the C-footprint and provide more flexibility to the design of rechargeable batteries.
Spin-polarized excitons and charge carriers in chiral metal halide semiconductors
Authors: Xiao Jin , Zheng Haofeng , Wang Ruilong , Wang Yanlong , Hou Shaocong
Published: June 2022

Introducing chirality into metal halide semiconductors brings spin-polarized charges and excitons, exotic chiroptical and spintronic properties, as well as application potential in optoelectronics and spintronics devices.
Oxidation at the sub-nanoscale: oxygen adsorption on graphene-supported size-selected Ag clusters
Authors: Loi Federico , Pozzo Monica , Sbuelz Luca , Bignardi Luca , Lacovig Paolo , Tosi Ezequiel , Lizzit Silvano , Kartouzian Aras , Heiz Ueli , Alfè Dario , Baraldi Alessandro
Published: June 2022

Oxidizing size-selected Ag11 clusters on graphene reveals the formation of a bulk-like structure already for few-atom aggregates. The appearance of a bulk AgO crystal structure differs from that observed for metallic clusters of similar size.
Carbon dot/inorganic nanomaterial composites
Authors: Xu Qingqing , Cai Huawei , Li Wenjing , Wu Min , Wu Yongzhong , Gong Xiao
Published: June 2022

The preparation methods, formation mechanism, properties and applications of carbon dot/inorganic nanohybrid materials are reported.
A stable fluoride-based interphase for a long cycle Zn metal anode in an aqueous zinc ion battery
Authors: Li Yuting , Yang Sinian , Du Hongxia , Liu Yuqiu , Wu Xiuting , Yin Caishuo , Wang Donghui , Wu Xianming , He Zhangxing , Wu Xianwen
Published: June 2022

CaF2, which served as the F-rich artificial interphase on the Zn anode was prepared by the spin-coating method. The CaF2 layer can effectively adjust the uniform deposition of Zn and inhibit the corrosion and side reactions between the electrode surface and electrolyte.
Seasonal and spatial patterns differ between intracellular and extracellular antibiotic resistance genes in urban stormwater runoff
Authors: O'Malley Kassidy , McNamara Patrick J. , McDonald Walter M.
Published: June 2022

There is a paucity of research regarding ARGs in stormwater runoff, particularly extracellular ARGs. In this study, extracellular ARGs are found to be abundant in stormwater, at relative concentrations comparable to intracellular ARGs.
A structural approach to understanding enzymatic regulation of chemical reaction networks
Authors: Mochizuki Atsushi
Published: June 2022

In living cells, chemical reactions are connected by sharing their products and substrates, and form complex systems, i.e. chemical reaction network. One of the largest missions in modern biology is to understand behaviors of such systems logically based on information of network structures. However, there are series of obstacles to study dynamical behaviors of complex network systems in biology. For example, network structure does not provide sufficient information to determine details of the dynamical behaviors. In this review, I will introduce a novel mathematical theory, structural sensitivity analysis, by which the responses of reaction systems upon the changes in enzyme activities/amounts are determined from network structure alone. The patterns of responses exhibit characteristic features, localization and hierarchy, depending on the topology of the network. The theory also shows that ranges of enzymatic regulations are governed by a mathematical law characterized by local topology of substructures. These findings imply that the network topology is one of the origins of biological robustness.
Radar style transfer for metric robot localisation on lidar maps
Authors: Yin Huan , Wang Yue , Wu Jun , Xiong Rong
Published: June 2022

Lidar and visual data are affected heavily in adverse weather conditions due to sensing mechanisms, which bring potential safety hazards for vehicle navigation. Radar sensing is desirable to build a more robust navigation system. In this paper, a cross‐modality radar localisation on prior lidar maps is presented. Specifically, the proposed workflow consists of two parts: first, bird's‐eye‐view radar images are transferred to fake lidar images by training a generative adversarial network offline. Then with online radar scans, a Monte Carlo localisation framework is built to track the robot pose on lidar maps. The whole online localisation system only needs a rotating radar sensor and a pre‐built global lidar map. In the experimental section, the authors conduct an ablation study on image settings and test the proposed system on Oxford Radar Robot Car Dataset. The promising results show that the proposed localisation system could track the robot pose successfully, thus demonstrating the feasibility of radar style transfer for metric robot localisation on lidar maps.
A resilient bi‐level control strategy for power sharing and voltage balancing in bipolar DC microgrids
Authors: Babazadeh‐Dizaji Ramin , Hamzeh Mohsen , Dehkordi Nima Mahdian
Published: June 2022

In the three‐level DC‐DC converter‐based bipolar DC microgrids, accurate power sharing among distributed generators and voltage balancing between the positive and negative poles are two main control objectives. This article presents a resilient bi‐level control strategy which simultaneously satisfies both aforementioned objectives. The proposed control structure is a combination of a distributed consensus‐based cooperative method and a washout filter‐based method. In the first level, a distributed consensus‐based cooperative control method with considering time delays and communication noises is developed to realize proportional power sharing. At this level, DGs operate collaboratively using only neighbour‐to‐neighbour feedback over a sparse communication network, even if the communication network is susceptible to additive noise and time delay. In the second level, a decentralized control method is employed to restore the voltage of each pole of a bipolar DC microgrid to the desired value. The second level, which works without any communication links and additional control loops, utilizes a dynamic feedback incorporating washout filters. The whole proposed control strategy is robust against a single point of link‐failure and resilient against the communication time delays and noises as well. Comprehensive simulation studies are carried out in PLECS software to verify the effectiveness of the proposed control scheme.
A multi‐step method for passive broadband source localisation using a single vector sensor
Authors: Li He , Wang Tong , Su Lin , Wang Wenbo , Guo Xinyi , Wang Che , Ma Li
Published: June 2022

In the deep ocean, a vector sensor is deployed near the seabed to receive direct waves from the reliable acoustic path (RAP). In the space domain, the vector sensor can estimate the vertical arrival azimuth of the signal, which is sensitive to distance. In the frequency domain, the periodic interference pattern formed by the direct and surface‐reflected wave is decided by both the source depth and the vertical arrival azimuth. In this work, a multi‐step method for passive broadband source localisation using a single‐vector sensor (SVS) is proposed. At first, the depth is estimated by the interference pattern in the frequency domain. Then the ranging problem is solved based on the depth estimated result. The impact of the surface‐generated noise is considered. Compared with the scalar vertical line array (VLA) in simulation, the localisation performance of SVS has higher requirements for the signal‐to‐noise ratio (SNR) but is much smaller in size. In the experiment, Gaussian white noise from 310 to 430 Hz was emitted to simulate the underwater target. Compared with traditional match‐field processing (MFP), the multi‐step method is much more stable, accurate, and efficient. The computing time is drastically shortened.
The X-ray Emission ofγCassiopeiae During the 2020–2021 disc eruption
Authors: Rauw G. , Nazé Y. , Motch C. , Smith M. A. , Fló J. Guarro , Lopes de Oliveira R.
Published: June 2022

Context. γCas is known for its unusually hard and intense X-ray emission. This emission could trace accretion by a compact companion, wind interaction with a hot sub-dwarf companion, or magnetic interaction between the star and its Be decretion disc.

Aims.These various scenarios should lead to diverse dependences of the hard X-ray emission on disc density. To test these scenarios, we collected X-ray observations ofγCas during an episode of enhanced disc activity that took place around January 2021.

Methods.We investigate the variations in the disc properties using time series of dedicated optical spectroscopy and existing broadband photometry. Equivalent widths and peak velocity separations are measured for a number of prominent emission lines. Epoch-dependent Doppler maps of the Hα, Hβ, and He Iλ5876 emission lines are built to characterise the emission regions in velocity space. We analyse fourXMM-Newtonobservations obtained between January 2021 and January 2022 at key phases of the episode of enhanced disc activity. ArchivalXMM-Newton, Chandra, MAXI, and RXTE-ASM data are also used to study the long-term correlation between optical and X-ray emission.

Results.Optical spectroscopy unveils a clear increase in the radial extent of the emission regions during the episode of enhanced disc activity, whilst no increase in theV-band flux is recorded. Our Doppler maps do not reveal any stable feature in the disc resulting from the putative action of the companion on the outer parts of the Be disc. Whilst the hard X-ray emission is found to display the usual level and type of variability, no specific increase in the hard emission is observed in relation to the enhanced disc activity. However, at two occasions, including at the maximum disc activity, the soft X-ray emission ofγCas is strongly attenuated, suggesting more efficient obscuration by material from a large flaring Be disc. In addition, there is a strong correlation between the long-term variations in the X-ray flux and the optical variations in theV-band photometry.

Conclusions.The observed behaviour ofγCas suggests no direct link between the properties of the outer regions of the Be disc and the hard X-ray emission, but it favours a link between the level of X-ray emission and the properties of the inner part of the Be disc. These results thus disfavour an accretion or colliding wind scenario.
Effect of arsenic on the high temperature oxidation and hot shortness behaviour of copper-bearing steel
Authors: Xin Wenbin , Meng Qingyang , Zhang Jing , Liang Yuyu , Jiang Yinju , Deng Yongchun , Cheng Zhi
Published: June 2022

To understand the disadvantages caused by As in Cu-bearing steels during hot working processes, high temperature oxidation and surface hot shortness characteristics were systematically investigated using thermogravimetry (TG), optical microscopy (OM), scanning electron microscopy (SEM) and Gleeble-3800 thermal/mechanical simulation system. Analyses of TG curves and the oxide scale morphologies showed that the oxidation kinetics for all steels obeyed the initial linear oxidation law and the later parabolic oxidation law at 950–1050 °C, while the kinetics presented two different stages of the linear oxidation law at 1100 and 1150 °C due to oxide scale separation. Increasing the As content from 0 to 0.15 wt.% decreased the oxidation activation energy and accelerated the oxidation degree of Cu-bearing steel. Cu + As enrichment indicated that an increase in As content induced the precipitation of a more hazardous Cu-rich liquid phase along grain boundaries by decreasing the solubility of Cu in austenite and the melting point of the Cu phase at 1050 °C. Furthermore, the degree of Cu + As enrichment became more serious with an increase in the oxidation temperature from 1000 to 1050 °C, and then decreased because of occlusion and faster back diffusion of Cu + As into the matrix at 1100 and 1150 °C. The hot compression results agreed well with the enrichment behaviour of Cu + As obtained from investigations of isothermal oxidation.
Effect of flow control devices on grade change process in a five-strand Tundish
Authors: Zhang Hua , Fang Qing , Liu Chao , Wang Jiahui , Liu Chengsong
Published: June 2022

A mathematical model was developed to investigate turbulent flows in steady-state casting and steel intermixing during grade change process in a five-strand tundish under different flow control devices (FCDs). The results showed that the baffle had significant influence on flow state of molten steel during steady-state casting, while the dam and turbulence inhibitor (TI) showed smaller effect. When the tundish was equipped with baffle, the mean residence time and the overall mean standard deviation of each strand decreased by nearly 100.3 s and 46%, the volume of the piston region and dead zone decreased by 13.5% and 6.4%, respectively, compared to without baffle. For grade change process, the baffle had great influence on the steel mixing, while the dam and TI showed less influence. The mass fraction of new grade reached 0.9 at 333 s near the third strand, and remained around 0.8 near the fifth strand at the later stage when the baffle was removed, which seriously deteriorated the steel mixing and the consistency among strands. The tundish equipped with baffle and square TI, but without dam, shows better performances both on flow consistency and new grade diffusion.
Exceptional long-term durability of Coratina monovarietal extra virgin olive oil evaluated through chemical parameters and oxidative stability test
Authors: Macciola Vincenzo , De Leonardis Antonella
Published: June 2022

Coratina is a very popular olive cultivar, native of the Apulian region (Italy), but today worldwide cultivated and appreciated. In the present study, durability of Coratina monovarietal extra virgin olive oils (CMOO), produced in the Molise region (Southern Italy), was investigated up to 6-years storage in metal tin cans, under room temperature and darkness. Durability was considered the storage time in which an oil remained food grade. Yearly, the free fatty acids, peroxide value, K232 and K270 indices, fatty acid composition, diacylglycerols, phenolic profile and Rancimat induction time at 130 °C were determined on the oil. Free fatty acids and peroxide value increased linearly over time but never surpassing the European limits set for the EVOO category. Conversely, K232 and K270 exceeded the EVOO limits after five and four years, respectively. A linear decrease of phenolic compounds was observed with direct effect on the oil oxidative stability measured by Rancimat test. In conclusion, despite some signs of aging, the CMOO highlighted a remarkable long durability being food-grade up to 6-years.
Incidentally Found Midtrimester Shortened Cervical Length: Practice Patterns among American Maternal–Fetal Medicine Specialists
Authors: Hussain Farrah N. , Al-Ibraheemi Zainab , Kaplowitz Elianna , Parikh Bijal , Feldman Kristina Martimucci , Lam Melissa Chu , Brustman Lois , Lewis Dawnette
Published: June 2022

Objective The management of incidentally found short cervical length (CL) without prior spontaneous preterm birth (PTB) can vary. While most agree on starting vaginal progesterone, management after CL shortens <10 mm varies. The purpose of this study was to elucidate current practice patterns amongst maternal–fetal medicine (MFM) specialists.

Study Design We conducted an online survey of MFM attending physicians and fellows in the United States from May 2019 to April 2020. The primary outcome was management of varying CL based on gestational age. Variations in management were assessed descriptively.

Results There were 236 respondents out of 400 eligible surveyed, with a response rate of 59.2%. Universal CL screening was reported by 93.6% (49.6% abdominal and 44.1% transvaginal). Management of short CL varied based on CL measurement, rather than gestational age at presentation. At CL <10 mm, management included cerclage (17.4–18.7%), vaginal progesterone (41.3–41.7%), or cerclage plus vaginal progesterone (43.4%). Between CL of 10 to 20 mm, the majority (77.4–91.9%) would start vaginal progesterone. At CL 21 to 25 mm, management varied between expectant management (45.5–48.5%) or vaginal progesterone (51.1–52.8%). Suture material used was ethylene terephthalate (47.4%) or polypropelene (31.2). Preoperative antibiotic use was reported by 22.3%, while 45.5% used them only if the amniotic membranes were exposed, and 32.2% reported no antibiotic use. Postoperative tocolytic use varied with 19.3% reporting no use, 32.6% using it always, 8.2% only after significant cervical manipulation, 22.7% after the patient is experiencing symptoms, and 17.6% using it only if the cervix is dilated on exam. After cerclage placement, 44.5% continued CL surveillance.

Conclusion Substantial differences of opinion exist among MFM physicians regarding management of incidentally found short CL in patients without history of PTB. The differences in responses obtained highlight the need for evidence-based guidelines for managing this clinical scenario.

Key Points
Early Hemodynamic Effects of Mydriatic Eye Drops in Preterm Infants
Authors: Dincer Emre , Gonen Ilker , Bornaun Helen A. , Yasa Beril , Babayigit Aslan , Kurum Ozge , Bayramoğlu Sadık E. , Cetinkaya Merih
Published: June 2022

Objective Mydriatic eye drops used for retinopathy of prematurity (ROP) examination can cause systemic effects, and there are case reports of serious adverse effects in the literature. In this prospective study, we aimed to evaluate the early hemodynamic effects of mydriatic eye drops to understand the possible mechanisms of adverse effects.

Study Design Between December 2018 and March 2019, preterm babies less than 32 gestational weeks and who underwent ophthalmologic examination in our unit were included. The vital signs (heart rate, respiratory rate, oxygen saturation [SpO2], and blood pressure values), cerebral and mesenteric tissue saturation by near-infrared spectroscopy (NIRS), and left ventricular functions of infants were recorded before and after applying mydriatic eye drops (2.5% phenylephrine and 0.5% tropicamide). The data were compared statistically. Strict adherence to prevent systemic absorption of the eye drops was applied.

Results Thirty-two mydriasis procedures were evaluated in 26 patients. The mean gestational age was 28.5 ± 1.7 weeks, and the mean birth weight was 943 ± 233 g. There were no significant differences in terms of vital signs of infants including heart rate, blood pressure, and oxygen saturation [SpO2] levels before and after eye-drop application. In addition, NIRS values showed no significant differences between before and after measurements. No significant differences were detected at echocardiographic evaluation performed before and after mydriatic administration. No adverse reaction was observed in the study population during the study.

Conclusion This is the first study that evaluated the early hemodynamic effects of mydriatic eye drops used for ROP screening by vital signs, NIRS, and echocardiographic evaluation. Mydriatic eye drops have no significant effect on early hemodynamic parameters including vital signs, NIRS, and echocardiographic findings in preterm infants. We suggest that a cautious approach for avoiding the systemic absorption of these agents may prevent the possible early systemic effects in this high-risk population.

Key Points
Honokiol Inhibits the Inflammatory Response and Lipid Metabolism Disorder by Inhibiting p38α in Alcoholic Liver Disease
Authors: Yang Chenchen , Zhao Yinglian , Luo Zhipan , Hu Ying , Wang Shuxian , Hu Shuang , Yao Yan , Pan Linxin , Shen Chuanpu , Xu Tao
Published: June 2022

Alcoholic liver disease is one of the leading causes of liver-related morbidity and mortality worldwide, but effective treatments are still lacking. Honokiol, a lignin-type natural compound
isolated from the leaves and bark of Magnolia plants, has been widely studied for its beneficial effects on several chronic diseases. Accumulating studies have revealed that honokiol
displays a potential therapeutic effect on alcoholic liver disease. In this study, the protective activity of honokiol on alcoholic liver disease was confirmed due to its significant
inhibitory activity on the expression levels of inflammatory cytokines (such as tumor necrosis factor-alpha, interleukin-6, and interleukin-1β) in EtOH-fed mice and in EtOH-induced
AML-12 cells. Meanwhile, the expression of the lipid metabolic parameter sterol regulatory element-binding protein-1c was also reduced. However, peroxisome proliferator-activated receptor
α was increased in animal and cell experiments, which indicates that the activity of honokiol was related to its regulated activity on lipid metabolism. The result showed that
honokiol significantly inhibited the expression level of p38α in vivo and in vitro. Blocking p38α inhibited the expression levels of tumor necrosis factor-alpha,
interleukin-6, interleukin-1β, and sterol regulatory element-binding protein-1c but promoted the expression level of peroxisome proliferator-activated receptor α compared with
the honokiol-treated group. Moreover, the forced expression level of p38α further produced the opposite effect on inflammatory cytokines and lipid metabolism indicators. Furthermore,
p38α has been related to the activation of the nuclear factor kappa B signaling pathway. In our study, honokiol significantly inhibited the activation of the nuclear factor kappa B
signaling pathway mediated by p38α. In conclusion, the results suggest that honokiol might be an effective regulator of p38α by downregulating the nuclear factor kappa B
signaling pathway, thereby reducing the inflammatory response and lipid metabolism disorder in alcoholic liver disease.
Ex Vivo Thrombolysis to Salvage Free Flaps Using Machine Perfusion: A Pilot Study in a Porcine Model
Authors: Brouwers Kaj , Kruit Anne Sophie , Koers Erik J. , Zegers Her J. H. , Hummelink Stefan , Ulrich Dietmar J. O.
Published: June 2022

Background Mechanical evacuation of capillary thrombi in free flaps is difficult, and often requires thrombolytic therapy. Utilizing machine perfusion systems, the possibility rises to salvage free flaps ex vivo by administering high doses of thrombolytic agents. The primary aim of this pilot study in a porcine model is to investigate the feasibility of ex vivo thrombolysis using an extracorporeal perfusion machine.

Methods A model of stasis-induced thrombosis was used in 12 free rectus abdominis flaps harvested from six Dutch Landrace pigs. Compromised flaps were ex vivo perfused with University of Wisconsin preservation solution and treated according to the following study groups: (1) 1 mg of tissue plasminogen activator (t-PA) as additive, (2) 3 mg of t-PA as an additive, and (3) no thrombolytic additive. Microcirculation was assessed using near-infrared fluorescence angiography.

Results Pedicled abdominal flaps were created and thrombus formation was successfully induced. Eleven abdominal flaps were perfused using the modified heart-lung machine setup. Near-infrared fluorescence angiography showed delayed or no filling was noted in the control group. In comparison, the flaps which were perfused with 1 mg t-PA or 3 mg t-PA as additive showed increased fluorescence intensity curves.

Conclusion This pilot study in a porcine model presents a reliable and reproductive stasis-induced thrombosis model in free flaps. By adding t-PA to a custom-made extracorporeal perfusion system, the indocyanine green fluorescence intensity curves increased of all flaps that were perfused with different dosages of t-PA as additives, indicating restoration of capillary pressure and microcirculatory inflow.
Optimal Timing of Delayed Microvascular Breast Reconstruction after Radiation Therapy
Authors: Arnautovic Aska , Karinja Sarah , Olafsson Soley , Carty Matthew J. , Erdmann-Sager Jessica , Caterson Stephanie A. , Broyles Justin M.
Published: June 2022

Background The purpose of this study was to determine the optimal timing of delayed microvascular breast reconstruction after completion of postmastectomy radiation therapy (PMRT). The authors evaluated whether the timing of reconstruction after PMRT completion affects the development of major postoperative complications. We hypothesize that delayed microvascular breast reconstruction can be safely performed within 12 months of PMRT completion.

Methods A retrospective chart review of microvascular, autologous breast reconstructions at Brigham and Women's Hospital from 2007 to 2019 was performed. Logistic regression analysis and marginal estimation methods were used to estimate the probability of any major complication (flap compromise requiring operative intervention, hematoma formation requiring evacuation, infection requiring readmission, and flap necrosis requiring operative debridement) occurring in 2-month intervals after PMRT. Patients were classified as having undergone reconstruction 0 to 12 months after PMRT (group 1), 12 to 18 months after PMRT (group 2), or 18 to 50 months after PMRT (group 3).

Results A total of 303 patients were identified. All patients received postmastectomy radiation (n = 143 group 1, n = 57 group 2, n = 103 group 3). Mean follow-up time was 71.4 ± 38 months. Patients in group 1 were significantly younger and more likely to have undergone neoadjuvant chemotherapy (p < 0.05). Major complications occurred in 10% of patients. There was no significant difference in the development of major complications between the three groups (p = 0.57). Although not statistically significant, the probability of any major complication peaked 2 to 6 months after PMRT completion.

Conclusion There was no significant difference in major complications among patients who underwent delayed, microvascular breast reconstruction within versus beyond 1 year of PMRT completion. These findings suggest that delayed microvascular breast reconstruction can be safely performed beginning 6 months after PMRT completion.
Locality of the interaction affects dynamics in probabilistic cellular automata
Authors: Ramos A. D. , da Silva C. D. B.
Published: June 2022

We study a class of one-dimensional probabilistic cellular automata in which each component can be in either state zero or state one. The component interacts with two neighbors: if its neighbors are in an equal state, then the component assumes the same state as its neighbors. If its neighbors are in different states, the following can happen: a one on the right-hand side of a zero, in which case the component becomes one with probability α or zero with probability 1 − α, and conversely, a zero on the right-hand side of a one, in which case the component becomes one with probability β or zero with probability 1 − β. For a set of initial distributions when both neighbors are placed on the right-hand side (respectively, both on the left-hand side) of a component, we prove that the process always converges weakly to the measure concentrated on the configuration where all the components are zeros. When one neighbor is placed on the left-hand side and the other is on the right-hand side, the same convergence happens when β < fN(α), where N is the distance between the neighbors. However, this convergence does not happen for β > 1/2α. Thus, in this case, we get the regimes of ergodicity and non-ergodicity. Moreover, we exhibit another type of phase transition, independent of neighbors’ locations. We also present some numerical studies in which we use mean field approximation and Monte Carlo simulation.
Dynamics for 2D incompressible Navier–Stokes flow coupled with time-dependent Darcy flow
Authors: Liu Yang , Ma Shan , Sun Chunyou
Published: June 2022

In this paper, we use the method of evolutionary systems introduced by Cheskidov and Foias to describe the existence of global attractor for 2D incompressible Navier–Stokes flow coupled with time-dependent Darcy flow. Furthermore, stationary statistical solutions of this system are constructed from the global attractor.
Analytic theory of multicavity klystrons
Authors: Figotin Alexander
Published: June 2022

Multicavity Klystron (MCK) is a high power microwave vacuum electronic device used to amplify radio frequency (RF) signals. MCKs have numerous applications, including radar, radio navigation, space communication, television, radio repeaters, and charged particle accelerators. The microwave-generating interactions in klystrons take place mostly in coupled resonant cavities positioned periodically along the electron beam axis. Importantly, there is no electromagnetic coupling between cavities. The cavities are coupled only by the flow of bunched electrons drifting from one cavity to the next. We advance here a Lagrangian field theory of MCKs with the space being represented by a one-dimensional continuum. The theory integrates into it the space-charge effects, including the so-called debunching (electron-to-electron repulsion). The corresponding Euler–Lagrange equations are ordinary differential equations with coefficients varying periodically in the space. Utilizing the system periodicity, we develop the instrumental features of the Floquet theory, including the monodromy matrix and its Floquet multipliers. We use them to derive closed form expressions for a number of physically significant quantities. Those include, in particular, the dispersion relations and the frequency dependent gain foundational to the RF signal amplification. We assume that MCKs operate in the voltage amplification mode associated with the maximal gain.
Toward a machine-guided approach to energetic material discovery
Authors: Walters Dylan , Rai Nirmal , Sen Oishik , Lee Perry W.
Published: June 2022

In this article, we trained a machine learning (ML) model to connect microstructural details of an energetic material formulation to its performance for the purpose of guiding the discovery of new explosive formulations. Our hypothesis was that the algorithm would robustly learn the training data and produce an accurate surrogate model. Specifically, the algorithm learned the relationship between details of the void size distribution (VSD), initiating shock pressure, and the energetic material performance. We used realistic constraints on the VSD and a range of cases were ingested by a physically informed reactive flow model working within a hydrodynamic solver running on high-performance computing resources. The ML algorithm produced a surrogate model that accurately predicted known test points around the parameter space. In addition to the utility of the model and the process used for its development, we noted interesting comparisons between what we, the authors—subject matter experts, would heuristically conclude from the training data and the surrogate model predictions. We detected nuanced details that were missed by the surrogate model; however, these details are not important to an energetic material formulator. We concluded that the algorithm did indeed robustly learn the training data and produce an accurate surrogate model. We further concluded that the surrogate model is a powerful tool to guide the formulator in the absence of subject matter experts and limited-access computing resources.
How much gallium do we need for a p-type Cu(In,Ga)Se2?
Authors: Ramírez Omar , Lanzoni Evandro Martin , Poeira Ricardo G. , Weiss Thomas P. , Leturcq Renaud , Redinger Alex , Siebentritt Susanne
Published: June 2022

Doping in the chalcopyrite Cu(In,Ga)Se2 is determined by intrinsic point defects. In the ternary CuInSe2, both N-type conductivity and P-type conductivity can be obtained depending on the growth conditions and stoichiometry: N-type is obtained when grown Cu-poor, Se-poor, and alkali-free. CuGaSe2, on the other hand, is found to be always a P-type semiconductor that seems to resist all kinds of N-type doping, no matter whether it comes from native defects or extrinsic impurities. In this work, we study the N-to-P transition in Cu-poor Cu(In,Ga)Se2 single crystals in dependence of the gallium content. Our results show that Cu(In,Ga)Se2 can still be grown as an N-type semiconductor until the gallium content reaches the critical concentration of 15%–19%, where the N-to-P transition occurs. Furthermore, trends in the Seebeck coefficient and activation energies extracted from temperature-dependent conductivity measurements demonstrate that the carrier concentration drops by around two orders of magnitude near the transition concentration. Our proposed model explains the N-to-P transition based on the differences in formation energies of donor and acceptor defects caused by the addition of gallium.
Investigation of the wake flow of a simplified heavy vehicle with different aspect ratios
Authors: Zhang Jie , Wang Fan , Guo Zhanhao , Han Shuai , Gao Guangjun , Wang Jiabin
Published: June 2022

This study numerically investigates the effects of aspect ratios on the wake flow of a simplified ground transportation system (GTS) model using improved delayed detached-eddy simulation (IDDES) at a Reynolds number of 2.7 × 104. The aspect ratio Ra* ∈ [1.0, 2.0] is defined as the ratio of the height (H, variable) to the width (W, constant) of the GTS. The primary purpose of this work is to identify the relationship between the aspect ratio and the wake flow topology. The accuracy of the IDDES method has been validated by comparing the recirculation bubble configuration, vortex core position, velocity profiles, and aerodynamic drag of the baseline model (Ra* = 1.41) with those obtained from the previous large-eddy simulation study and the wind tunnel experiment. The results show that three typical flow states are observed in the near-wake region for various aspect-ratio cases. The aerodynamic drag increases by 4.60% and 2.06% for the aspect-ratio value equal to Ra* = 2.0 and Ra* = 1.8 (flow state II) and reduces by 6.75%, 7.37%, and 7.98% for the models with the aspect-ratio value of Ra* = 1.15, Ra* = 1.05, and Ra* = 1.0 (flow state III) compared to the aerodynamic drag of the baseline model with the aspect-ratio value of Ra* = 1.41 (flow state I). The dominant shedding frequency of the turbulent wake flow is identical for the aspect-ratio cases when the corresponding wake topology stays in the same flow state. The flow state acts as the substantial factor, which has an essential influence on the GTS's wake flow and its inducing aerodynamic response.
Study of a piezoelectric energy harvester in the form of vortex oscillation for fixed disturbance fluid type
Authors: He Lipeng , Zhou Jianwen , Han Yuhang , Liu Renwen , Tian Xiaochao , Liu Lei
Published: June 2022

The main purpose of this paper is to study a piezoelectric energy harvester in the form of vortex oscillation for fixed disturbance fluid type. The harvester consists of a fixed cylinder, an oscillating cylinder, flexible beams, and polyvinylidene fluorides (PVDFs). The flexible beam connects the fixed cylinder to the oscillating cylinder, and the PVDF is fixed to the flexible beam by means of adhesive, thus completing the assembly of the entire energy harvester. In this paper, the diameters of the fixed cylinder and oscillating cylinder and the length of the flexible beam are studied. In different parameter states, the harvester has different output performance; so the purpose of this study is to find a set of optimum parameters that will lead to the best harvester output. When the diameters of the fixed cylinder and oscillating cylinder are 50 and 20 mm, respectively, and the length of the flexible beam is 60 mm, the whole prototype has the best electrical output performance with 5.98 µW power at 18 m/s. The whole prototype is sensitive to excitation at any wind speed and is able to convert and collect even weak streaming excitation energy from the environment. This structure offers greater reliability and durability than the disturbed fluid oscillation type piezoelectric harvester.
Quantum confinement effect on defect level of hydrogen doped rutile VO2 nanowires
Authors: Dey Manoj , Chowdhury Suman , Kumar Sonu , Kumar Singh Abhishek
Published: June 2022

Accurate description of solubility and defect ionization energies in low dimensional nanostructures is critical for electronic applications of semiconductors with improved functionalities. Here, we present quantum confinement effect driven strategies for tuning defect level of hydrogen doping in the core region of rutile VO2(R) nanowires. The inverse dependence of a bandgap with a diameter (∝d−0.48) confirms the presence of quantum confinement effect in nanowires. The hydrogen doping in both interstitial and substitution at the O site behaves as a deep donor in low diameter nanowires, where the effect of quantum confinement is significant. The position of a donor charge transition level becomes increasingly shallower with increased nanowire diameters. The ionization energies of hydrogen defects decrease for larger-diameter nanowires due to the dielectric screening effect increment. This indicates the possibility of achieving n-type dopability with large diameter VO2(R) nanowires. This study prescribes the strategies for optimizing doping and the defect level for extensive applications of highly correlated 1D nanostructured materials.
Weyl fermions in SrRuO3 detected by Brillouin light scattering
Authors: Toyoda S. , Yamada R. , Kaneko Y. , Tokura Y. , Ogawa N.
Published: June 2022

We report an observation of Weyl fermions in momentum space in an itinerant ferromagnet SrRuO3 single crystal via inelastic optical spectroscopy. A clear magnetic resonance around 200 GHz is observed in the Brillouin light scattering spectra, which corresponds to the ferromagnetic resonance at the Γ point. The spin-wave gap shows non-monotonous temperature dependence distinct from the bulk magnetization. The observed peculiar temperature evolution in the spin-wave gap scales with that of the anomalous Hall conductivity, which is a hallmark of Weyl fermions near the Fermi energy.
Re-admission following discharge from a Geriatric Evaluation and Management Unit: identification of risk factors
Authors: Yin Sally , Paratz Jennifer , Cottrell Michelle
Published: June 2022

Objective To establish independent factors that influence the likelihood of re-admission within 30 days of discharge from a Geriatric Evaluation and Management Unit. Methods An observational prospective cohort design using clinical data extracted from the medical charts of eligible patients discharged from a tertiary public hospital Geriatric Evaluation and Management Unit between July 2017 and April 2019. Binary logistic regression was undertaken to determine variables that increased the likelihood of hospital re-admission (dependent variable). Results A total of 367 patients were eligible for inclusion, with 69 patients re-admitted within 30 days of discharge. Univariate analysis demonstrated significant differences between groups (re-admission vs non-re-admission) with respect to Charlson Comorbidity Index (CCI) (7.4 [2.4] vs 6.3 [2.2], P = 0.001), Clinical Frailty Scale (CFS) (5.6 [1.1] vs 5.2 [1.34], P = 0.02), and documented malnourishment (36.2% vs 23.6%, P = 0.04). All three variables remained significant when entered into the regression model (X 2 = 25.095, P < 0.001). A higher score for the CFS (OR 1.3; 95% CI 1.03–1.64; P = 0.03) and CCI (OR 1.2; 95% CI 1.06–1.33; P = 0.004), and documented malnourishment (OR 1.92; 95% CI 1.06–3.47; P = 0.03) were all independent factors that increased the likelihood of patient re-admission within 30 days of discharge. Conclusions This study supports the formal inclusion of the CCI and CFS into routine practice in Geriatric Evaluation and Management Units. The inclusion of the measures can help inform future discharge planning practices. Clinicians should use malnourishment status, CCI and CFS to identify at risk patients and target discharge planning interventions accordingly.