bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modeling study on temporal nonlinear behaviors in CO2 dielectric barrier discharges under Martian pressure
Authors: Wang Xu‐Cheng , Gao Shu‐Han , Zhang Yuan‐Tao 
Published: January 2023

AbstractIn recent years, dielectric barrier discharges (DBDs) have become one of the most potential candidates for in situ resource utilization of in the Martian atmosphere. The nonlinear behaviors in DBDs are directly associated with the stability of discharges, and understanding the formation mechanism of the nonlinear behaviors can effectively enhance the ability to control the plasmas. In this paper, to further explore the underpinning physics of temporal nonlinear behaviors in discharges, the tailored sinusoidal voltages with power‐on and power‐off phases are applied to ignite the plasmas under Martian pressure. The simulation results from a fluid model with hundreds of reactions show that the discharge can evolve from period‐one state into period‐four state via period‐two state by reducing the power‐off duration; the electron density drops rapidly and the heavy ions of and become the dominant charged particles after the discharge is extinguished. With the power‐off duration further reduced, the heavy ions produced by the previous discharge cannot be completely dissipated and remain in the sheath region to enhance the electric field before the next discharge event; thus, the next ignition takes place more easily with a reduced breakdown voltage and a lower discharge current, indicating the discharge transits from a period‐one state to a period‐two state. In the transition from period‐two discharge to period‐four discharge, the heavy ions produced by the second discharge event cannot be completely transported to the surface of barriers, affecting the ignition in the third voltage period. When the power‐off duration is less than 10  in the simulation, electrons become the dominant residual negative charges in the discharge region, and the rapid increase in memory voltage results in a smaller positive discharge current and a stronger negative discharge current. As the power‐off duration continues to decrease, the discharge undergoes an inverse period‐doubling bifurcation from reverse period‐four discharge to reverse period‐two discharge. This study provides a deeper insight into the underlying physics of nonlinear behaviors in DBDs under Martian pressure.
Inhibition of dissolution‐induced crystal transformation of ϵ‐Hexanitrohexaazaisowurtzitane in plasticizers by polydopamine coating**
Authors: Sun Sen , Guo Xueyong , Pan Qi , Zhang Honglei , Zhao Wanjun , Wu Chengcheng , Li Shengwei 
Published: January 2023

AbstractIn order to avoid the crystal transformation of ϵ‐Hexanitrohexaazaisowurtzitane (ϵ‐HNIW) dissolved in plasticizers, a suitable bonding agent was selected to inhibit the crystal transformation of ϵ‐HNIW. Interfacial interaction simulations were carried out using Materials Studio2017 software for selected neutral polymer bonding agent (NPBA), polyene polyamine bonding agent (LBA) and polydopamine (PDA) and ϵ‐HNIW. Results showed that the interaction order of the three polymers on the ϵ‐HNIW crystal surface is PDA>NPBA> LBA; ϵ‐HNIW@ PDA crystal phase was more stable. Therefore, ϵ‐HNIW@ PDA crystal particles were constructed by the in‐situ self‐polymerization coating technology. Scanning electron microscope (SEM) showed that the ϵ‐HNIW@ PDA was square with smooth surface. The thermal properties of ϵ‐HNIW@ PDA were investigated by differential scanning calorimetry (DSC), which showed that the coating of PDA effectively increased the transition temperature of ϵ‐HNIW crystal. Moreover, the solubility and crystal transformation mechanism and law of ϵ‐HNIW/ϵ‐HNIW@ PDA in four plasticizers were further studied and compared systematically, ϵ‐HNIW@ PDA showed significantly lower solubility compared with ϵ‐HNIW. The solubility size was ranking as isodecyl nonanoate (IDP)>dioctyl sebacate (DOS)>dioctyl adipate (DOA)>paraffin liquid (RH). Variable‐temperature X‐ray diffraction (XRD) tests showed that PDA increased the ϵ‐HNIW crystal transformation temperature by about 35 °C. The small amount of dissolution of ϵ‐HNIW by the four plasticizers had a facilitative effect on the ϵ‐HNIW crystal transformation, which was consistent with the solubility magnitude. These results indicated that PDA‐coated ϵ‐HNIW enhances crystal interfacial interaction, reduces the solubility in plasticizers, and has a significant inhibitory effect on the dissolution‐induced crystal transformation of ϵ‐HNIW.
Predicting protein flexibility with AlphaFold
Authors: Ma Puyi , Li Da‐Wei , Brüschweiler Rafael 
Published: January 2023

AbstractAlphaFold2 has revolutionized protein structure prediction from amino‐acid sequence. In addition to protein structures, high‐resolution dynamics information about various protein regions is important for understanding protein function. Although AlphaFold2 has neither been designed nor trained to predict protein dynamics, it is shown here how the information returned by AlphaFold2 can be used to predict dynamic protein regions at the individual residue level. The approach, which is termed cdsAF2, uses the 3D protein structure returned by AlphaFold2 to predict backbone NMR NH S2 order parameters using a local contact model that takes into account the contacts made by each peptide plane along the backbone with its environment. By combining for each residue AlphaFold2's pLDDT confidence score for the structure prediction accuracy with the predicted S2 value using the local contact model, an estimator is obtained that semi‐quantitatively captures many of the dynamics features observed in experimental backbone NMR NH S2 order parameter profiles. The method is demonstrated for a set nine proteins of different sizes and variable amounts of dynamics and disorder.
CFD‐based pesticide selection for a nozzle used in a six‐rotor UAV in hover mode for tea spraying
Authors: Dong Si‐Jia , Gui Qing‐Hua , Zhu Lin , Zou Xiao‐Rui , Zhou Wen‐Xuan , Hou Ru‐Yan , Moray Peter Jusu , Yin Cheng‐Long 
Published: January 2023

AbstractBACKGROUNDA key challenge for unmanned aerial vehicle (UAV) spraying sometimes used in tea plantations is the downwash flow structure there stronger than in crops. In addition, the UAV spray is affected by the relationship between the nozzle design and the pesticide. However, there is little current research on this aspect. As a preliminary step this study focuses on the most appropriate pesticide for a designated nozzle in a six‐rotor UAV according to the nozzle–pesticide relationship using a three‐dimensional computational fluid dynamics model. This model considers the downwash flow structure effect and nozzle spray performance in hover. Nozzle FVP110‐02, widely used in six‐rotor UAVs, is used as a representative nozzle and bifenthrin and tea saponin water, commonly used in tea plantations, are used as the pesticides.RESULTSThe downwash flow structure of the six‐rotor UAV in hover was conveniently controlled by the flight height and rotational speed, thereby causing the turbulence to be more stable. For nozzle FVP110‐02, bifenthrin was more appropriate than tea saponin water at the same concentration, whilst bifenthrin and tea saponin water at a concentration of 1:1000 showed the best performance under identical working conditions.CONCLUSIONThe numerical model developed here was shown to be effective for investigating the relationship between nozzle and pesticide. Our findings will help to not only improve UAV spraying for tea cultivation but also provide guidelines for pesticide selection in crops. Further work will address the comparison of the rigorous qualification of the numerical simulations with the measurements by the field test. © 2023 Society of Chemical Industry.
The Mythimna separata general odorant binding protein 2 (MsepGOBP2) is involved in the larval detection of the sex pheromone (Z)‐11‐hexadecenal
Authors: Tian Zhen , Li Ruichi , Cheng Shichang , Zhou Tong , Liu Jiyuan 
Published: January 2023

AbstractBACKGROUNDMythimna separata is a notorious pest causing crop damages at the larval stage. Gaining insight into larval olfaction mechanisms would provide knowledge for olfaction‐based management of M. separata larvae.RESULTSIn the present research, (Z)‐11‐hexadecenal (Z11‐16: Ald), a major component of M. separata sex pheromone, was found to attract early‐instar larvae of M. separata in a food context. Using a fluorescent binding assay, we found that M. separata general odorant binding protein 2 (MsepGOBP2) exhibited high binding affinity to Z11‐16: Ald. Further, silencing of MsepGOBP2 resulted in a sharp reduction of the response to Z11‐16: Ald, which could not be mitigated by increasing the concentration of Z11‐16: Ald. Additionally, we employed molecular dynamics‐based approaches to unravel the interaction details between MsepGOBP2 and Z11‐16: Ald, specifically the binding of Z11‐16: Ald to MsepGOBP2.CONCLUSIONZ11‐16: Ald is attractive to early‐instar larvae of M. separata, and MsepGOBP2 is identified to be indispensable in the larval detection of Z11‐16: Ald. These results could aid in the development of olfaction‐based methods for controlling M. separata in the larval stage. © 2023 Society of Chemical Industry.
Improving early phase oncology clinical trial design: The case for finding the optimal biological dose
Authors: Phillips Alan , Mondal Shalini 
Published: January 2023

AbstractHistorically early phase oncology drug development programmes have been based on the belief that “more is better”. Furthermore, rule‐based study designs such as the “3 + 3” design are still often used to identify the MTD. Phillips and Clark argue that newer Bayesian model‐assisted designs such as the BOIN design should become the go to designs for statisticians for MTD finding. This short communication goes one stage further and argues that Bayesian model‐assisted designs such as the BOIN12 which balances risk‐benefit should be included as one of the go to designs for early phase oncology trials, depending on the study objectives. Identifying the optimal biological dose for future research for many modern targeted drugs, immunotherapies, cell therapies and vaccine therapies can save significant time and resources.
A stochastic Petri Net‐based approach for operational performance estimation of quay cranes
Authors: Jalal Mohd Rajali , Kader Ab Saman Abd , Hamid Mohd Foad Abdul , Kang Hooi Siang 
Published: January 2023

AbstractReliability, availability, and maintainability (RAM) of quay cranes (QCs) are essential for an effective port operation. This study estimates operational RAM of QCs using the Stochastic Petri Net (SPN) modelling. Asset Performance Assessment (APA) was performed to conduct the study by a SPN model. Based on the operation and maintenance data, probability distributions of Mean Time Between Failure (MTBF) and Mean Time to Repair (MTTR) is determined by Goodness of Fit Test of Anderson Darling. Subsequently, these distributions are applied in APA to determine the frequencies of failure/breakdowns, duration of downtimes, availability, and reliability with the assistance of the SPN model and Monte Carlo Simulation. The availability of the analysed QC is 0.97 or 97%. The results of this work are verified by the comparison with historical data. The outcomes of this paper contribute to reliability, availability, maintainability, and risk management of QCs.
Rapid and simple determination of average molecular weight and composition of synthetic polymers via electrospray ionization‐mass spectrometry and a Bayesian universal charge deconvolution
Authors: Keating Addie R. , Wesdemiotis Chrys 
Published: January 2023

RationaleSimple, affordable, and rapid methods for identifying the molecular weight (MW) distribution and macromolecular composition of polymeric materials are limited. Current tools require extensive solvent consumption, linear calibrations, and expensive consumables. A simple method for the determination of average MW (Mn, Mw) and chain end groups is demonstrated for synthetic homopolymer standards using direct injection electrospray ionization‐mass spectrometry (ESI‐MS) and an open‐sourced charge deconvolution (CDC) algorithm.MethodsFive homopolymer standards in the 1–7 kDa MW range were analyzed using direct‐injection ESI‐MS on a quadrupole/time‐of‐flight mass spectrometer. The samples investigated, viz. two poly(ethylene oxide) (PEO) and two poly(styrene sulfonic acid) (PSS) standards with narrow polydispersity and one poly(d,l‐alanine) (pAla) standard with undefined polydispersity, were chosen to illustrate challenges with ESI‐MS quantitation. Using the UniDec program, weight average MWs (Mw) obtained from the charge‐deconvoluted spectra were compared to the reported Mw data of the standards from size exclusion chromatography (SEC) measurements.ResultsThe MW data derived for the PSS, PEO, and pAla standards agreed well with the corresponding reported Mw or MW range values. The method was able to provide MW, degree of polymerization (DP), and polydispersity index (PDI) information for polymers with narrow (PSS, PEO) as well as broader (pAla) molecular weight distribution; this feature provides an advantage over MW analysis via matrix‐assisted laser desorption/ionization (MALDI) for ESI‐compatible materials. PSS standards differing in average MW by only a few repeat units could be confidently distinguished. Additionally, the oligomeric resolution observed for all samples studied unveiled chain‐end information not available through chromatographic analysis.ConclusionsOverall, the free and easy‐to‐use UniDec CDC algorithm provides a simple, alternative method to measuring MW and DP for polymeric materials without high solvent consumption, expensive ionization sources, or calibration curves. Information about the masses of individual oligomers and the possibility to further characterize these oligomers using tandem mass spectrometry and/or ion mobility techniques constitutes additional benefits of this approach vis‐à‐vis traditional MW and PDI elucidation through SEC.
Integrated guidance and control of hypersonic flight vehicle with coordinated mission requirement and input constraint
Authors: Shou Yingxin , Yan Tian , Xu Bin , Sun Fuchun 
Published: January 2023

AbstractAn integrated adaptive guidance and control algorithm is investigated for the hypersonic flight vehicle (HFV) under the objection of coordinated for mission requirement and control capability. The design pressure to avoid input saturation is placed in the guidance loop by analyzing the hard restriction on the fuel‐air equivalence ratio (FER) and the acceleration mission objective. Using the concept of model self‐shaping, a loss function is established to achieve the self‐optimization of the reference model bandwidth. The reference trajectory of the velocity slows down as the FER approaches its maximum value and becomes faster as the FER demand decreases. The backstepping frame is applied in the attitude control system, and the dynamics uncertainty with the unknown aerodynamic parameters is constructed using neural network. The Karush–Kuhn–Tucker multiplier is used as a link parameter of the guidance and control integrated framework and is introduced into the adaptive update law. An adaptive algorithm is proposed with the estimating evaluation derived from the serial‐parallel estimation model. A HFV simulation test with FER constraint shows that the adaptive integrated guidance and control can follow the desired trajectory with high tracking accuracy, and the control input can be kept within a feasible value.
Dynamic event‐triggered consensus of multi‐agent systems under directed topology
Authors: Liu Kaien , Ji Zhijian 
Published: January 2023

SummaryEvent‐triggered consensus of multi‐agent systems (MASs) under directed topology is investigated in this paper. First, one shortcoming about the event‐trigger conditions in some recent results is pointed out through a counterexample. Then, two reasonable event‐trigger conditions are proposed and analyzed. Meanwhile, a novel dynamic event‐trigger strategy is applied in the two designed event‐trigger conditions, in which an auxiliary term is introduced for each agent to regulate its threshold dynamically. It is proved that the dynamic term plays an essential role in excluding Zeno behavior. The case of strongly connected topology is first investigated. Then, the results are extended to the more general topology containing a spanning tree. Numerical example is provided to illustrate the effectiveness of the designed event‐trigger conditions.
Intergenerational externalities and corporate green innovation
Authors: Jiang Wenbing , Wang Xuejun , Du Lei 
Published: January 2023

AbstractBased on the intergenerational externalities views, this paper builds the link between ecological damage claim policy and firms' green innovation. Making polluters bear intergenerational responsibility is considered to be a key move to break intergenerational externalities and effectively address the problem of multiple environmental failures. The ecological damage claim policy makes the environmental rights of future generations being remedied through judicial procedures, and can clarify pollution responsibility to push firms to choose long‐term environmental solutions for achieving intergenerational sustainability and maintaining intergenerational justice. Using longitudinal data (2012–2017) covering 4992 Chinese firm‐year observations in high‐pollution industries, we find that ecological damage claim policy promotes firms' green innovation. This positive effect is stronger when the firm is located in a region with stronger environmental enforcement and more environmental organizations.
Second Near‐Infrared (NIR‐II) Window for Imaging‐Navigated Modulation of Brain Structure and Function
Authors: Zhang Ke , Chen Fu‐Rong , Wang Lidai , Hu Jinlian 
Published: January 2023

AbstractFor a long time, optical imaging of the deep brain with high resolution has been a challenge. Recently, with the advance in second near‐infrared (NIR‐II) bioimaging techniques and imaging contrast agents, NIR‐II window bioimaging has attracted great attention to monitoring deeper biological or pathophysiological processes with high signal‐to‐noise ratio (SNR) and spatiotemporal resolution. Assisted with NIR‐II bioimaging, the modulation of structure and function of brain is promising to be noninvasive and more precise. Herein, in this review, first the advantage of NIR‐II light in brain imaging from the interaction between NIR‐II and tissue is elaborated. Then, several specific NIR‐II bioimaging technologies are introduced, including NIR‐II fluorescence imaging, multiphoton fluorescence imaging, and photoacoustic imaging. Furthermore, the corresponding contrast agents are summarized. Next, the application of various NIR‐II bioimaging technologies in visualizing the characteristics of cerebrovascular network and monitoring the changes of the pathology signals will be presented. After that, the modulation of brain structure and function based on NIR‐II bioimaging will be discussed, including treatment of glioblastoma, guidance of cell transplantation, and neuromodulation. In the end, future perspectives that would help improve the clinical translation of NIR‐II light are proposed.
Water‐in‐Water Emulsions Stabilized by Silica Janus Nanosheets
Authors: Hu Bintao , Zhao Yongliang , Ye Zhangfan , Wang Haitao 
Published: January 2023

AbstractWater‐in‐water (w/w) emulsions have been recognized for their broad applications in foods, cosmetics, and biomedical engineering. In this work, silica Janus nanosheets (JNs) with polyacrylic acid (PAA) chains grafted on one surface via crushing functional silica foams, and used silica JNs as Pickering stabilizer to produce stable water‐in‐water (w/w) emulsions from the aqueous two‐phase system (ATPS) containing methacrylic acid (MAA) and NaCl are prepared. The interfacial area of w/w emulsions increases linearly with the concentration of silica JNs, and the interfacial coverage of nanosheets is calculated to be about 98%. After polymerizing w/w emulsions prepared from MAA/NaCl ATPS, it is found that silica JNs are entrapped at the interface of w/w emulsions with the smooth PAA‐grafted surface located toward MAA‐rich phase due to their specific interaction. These results show that functional silica JNs can be used as a promising amphiphilic Pickering stabilizer to produce well‐defined w/w emulsions for numerous application fields.
Nanoscale Borate Coating Network Stabilized Iron Oxide Anode for High‐Energy‐Density Bipolar Lithium‐Ion Batteries
Authors: Dong Wujie , Zhao Yantao , Cai Mingzhi , Dong Chenlong , Ma Wenqin , Pan Jun , Lv Zhuoran , Dong Hang , Dong Yanhao , Tang Yufeng , Huang Fuqiang 
Published: January 2023

AbstractHigh‐capacity metal oxides based on non‐toxic earth‐abundant elements offer unique opportunities as advanced anodes for lithium‐ion batteries (LIBs). But they often suffer from large volumetric expansion, particle pulverization, extensive side reactions, and fast degradations during cycling. Here, an easy synthesis method is reported to construct amorphous borate coating network, which stabilizes conversion‐type iron oxide anode for the high‐energy‐density semi‐solid‐state bipolar LIBs. The nano‐borate coated iron oxide anode has high tap density (1.6 g cm−3), high capacity (710 mAh g−1 between 0.5 – 3.0 V, vs Li/Li+), good rate performance (200 mAh g−1 at 50 C), and excellent cycling stability (≈100% capacity resention over 1,000 cycles at 5 A g−1). When paired with high‐voltage cathode LiCoO2, it enables Cu current collector‐free pouch‐type classic and bipolar full cells with high voltage (7.6 V with two stack layers), achieving high energy density (≈350 Wh kg−1), outstanding power density (≈6,700 W kg−1), and extended cycle life (75% capacity retention after 2,000 cycles at 2 C), superior to the state‐of‐the‐art high‐power LIBs using Li4Ti5O12 anode. The design and methodology of the nanoscale polyanion‐like coating can be applied to other metal oxides electrode materials, as well as other electrochemical materials and devices.
Improved Cycling of Li||NMC811 Batteries under Practical Conditions by a Localized High‐Concentration Electrolyte
Authors: Guo Feng , Chen Xi , Hou Yuhan , Wei Wenshuo , Wang Zhicheng , Yu Hao , Xu Jingjing 
Published: January 2023

AbstractLi||NMC811 battery, with lithium‐metal (high specific capacity and low redox potential) as anode and LiNi0.8Co0.1Mn0.1O2 (NMC811) as cathode, has been widely accepted to be a good candidate as one of the high‐energy‐density batteries. However, its cyclability needs improvement to fulfill the requirement for its future commercial use, especially under practical conditions. Electrolyte plays a key role in improving the cycling performance of Li||NMC811 batteries, where a high voltage/electrochemical window and good stability with the electrodes of the electrolyte are required. Herein, a localized high‐concentration electrolyte with an additive of lithium difluoro(oxalate)borate (LiDFOB) is reported that improves the cycling performance of Li||NMC811 cells under crucial conditions with Li foil thickness of 50 µm, cathode areal loading of 4 mAh cm−2, the areal capacity ratio between the negative and positive electrodes (N/P ratio) of 2.6 and the electrolyte/cell capacity ratio (E/C ratio) of 3.0 g (Ah)−1. These cells can maintain 80% of the capacity after 195 cycles.