bluuebunny/crossref_metadata_2025 huggingface dataset:
Modulating anionic activities in layered Li-rich cathode materials with inverse spinel MnFe2O4 coating
Authors: Bao Liying , Zhu Xinyu , Li Ning , Li Yongjian , Xu Lifeng , Chen Lai , Cao Duanyun , Lu Yun , Su Yuefeng , Fang Youyou , Yang Chenxing , An Ran
Published: May 2022

Layered Li-rich cathode oxides can provide high specific capacity due to oxygen anion redox involving in charge compensation process during cycling, but there is a severe structural transition from layered to spinel accompanying with irreversible oxygen loss during cycling, which lead to electrochemical degradation. The current researches show that the irreversible oxygen evolution reaction of layered lithiumrich materials in the first cycle mainly comes from the surface lattice oxygen, so the surface modification by the materials with more stable structure is one of the effective ways to improve the electrochemical performance of layered lithium-rich materials. In this paper, we report a modified layered lithium-rich cathode material by surface coating of inverse spinel MnFe2O4. The inverse spinel has strong polarization effect on anion migration due to its different atoms occupying octahedral sites from layered structure and it can also modulate the Fermi level and stretching the O-O bond, thereby increasing the energy barrier for surface oxygen oxidization. Furthermore, the three-dimensional connected tunnel structure of the inverse spinel also makes the surface layer of the material have a faster lithium ion transferring rate, and a large number of lithium storable vacancies inside of it improved the Li+ intercalation efficiency, initial coulombic efficiency and rate performance. Compared with the unmodified sample, the modified material coated with 2% MnFe2O4 has superior cycle stability and outstanding rate performance. It is hoped our work would provide the knowledge for the future development of high-performance cathode materials for Li-ion batteries.
Preparation and Properties of Sn-TiO2 nanocomposite coatings
Authors: Zhang Shengping
Published: May 2022

Sn-TiO2 nanocomposite coatings were prepared by sol-gel enhanced electrodeposition technique and the effect of c concentration on the performance of the composite coatings was investigated by adding different volumes of TiO2 sol to the electrolyte. The microscopic morphology and corrosion resistance of the coatings were characterized by XRD tests, SEM tests, hardness tests and a series of electrochemical tests. From the test results, it was found that the coating had the highest hardness value and the best corrosion resistance when the TiO2 sol was added at 15 mL/L; however, when the TiO2 sol concentration was too large, the corrosion resistance and hardness value of the Sn-TiO2 composite coating decreased significantly due to the destruction of the crystal structure and coating structure by the agglomerated TiO2 nanoparticles in the coating.
Experimental and Simulation Research of Belt Extrusion Process Based on Simplified Chip Model
Authors: Liu Qi , Wang Yuwei , Zhao Na , Zhu Wenfang
Published: May 2022

The projectile extrusion process is an extremely important part of the initial trajectory of the artillery launch. The differentiation of the extrusion process brings about the stability problem of the extrusion process, which directly affects the stability and safety of the artillery, ballistic and projectile launching process. sex. Since the simplified chip intrusion resistance model does not pay attention to the projectile movement process and the formation process of the elastic belt groove, and only studies the change law of the intrusion resistance, the model is relatively simple and the parameters are easy to determine. In this paper, a quasi-static test device for the extrusion process of the elastic belt is established. The model is calibrated with the simplified chip resistance model with the intrusion process. Finally, the model is used to calculate the resistance along the process of a large-caliber howitzer projectile extrusion process, and it is compared with the embedded resistance test results of a large-caliber howitzer., the results show that in the whole process of extrusion, the relative error between the calculated value of the total extrusion resistance and the experimental value is basically below 10%, and the maximum relative error is 10.98%, which verifies the accuracy of the model.
Experimental and Simulation Research on the Quasi-dynamic Extrusion Process of the Belt
Authors: Liu Qi , Wang Yuwei , Zh Wenfang , Zhao Na
Published: May 2022

The extrusion process of the elastic belt is a process in which the elastic belt and the inner bore of the barrel undergo complex contact and collision, and the rifling gradually penetrates the elastic belt, so that the material of the elastic belt continues to fail and destroy. It has high instantaneous, strong impact, high temperature, high-speed change There is a big gap between the existing theory and the actual squeeze-in process, and it is urgent to carry out research work on this problem. In this paper, a quasi-dynamic test device for the extrusion process of the elastic belt is established. On this basis, the extrusion history of a small-caliber projectile under different belt materials, different extrusion speeds, different extrusion force loading rates and different chamber pressure loading rates is established. The experimental comparison research was carried out. Based on the experimental data, the model calibration was carried out for the simplified chip resistance model of the belt extrusion process, and the calibration model was used to test the extrusion resistance of a newly designed large-caliber and howitzer belt extrusion process. The prediction research is carried out, which provides a reference for the optimal design of internal ballistics and charges, projectiles and barrels, and the coupling design of projectiles, guns and charges in a system.
Study on Recrystallization Process of Poly(DL-lactide)/Poly(ethylene glycol) Diblock Copolymer
Authors: Chen Xiaoqi , Bai Lu , Li Chengyu , Tian Jia , Zhou Haijun , Zhou Mengmeng , Xiao Jijun , Li Yantao
Published: May 2022

Poly (DL-lactide)/Poly (ethylene glycol) diblock copolymer is successfully synthesized with mPEG and DL-LA as main raw materials, and the residual monomers of the polymer were removed by recrystallization. FT-IR is used to characterize the structure of the polymer. Gas chromatography is used to determine the residual monomers and residual solvent of the polymer. The solubility of polymer in different solvents was determined, and the effect of different solvent systems on the removal of residual monomers in copolymer were discussed. The results showed that the Poly(DL-lactide)/Poly(ethylene glycol) diblock copolymer was recrystallized with acetone/ isopropyl ether solvent system has the best ability to remove residual monomers, and the residual monomers of the obtained polymer are less than 0.01 wt%, the total residual solvent is only 0.24 wt%, and the productivity is as high as 95.5 wt%.
Synthesis of a copolymerization and the anti-high temperature property in oil well cement slurry fluid
Authors: Wang Wenbin , Wan Xiangchen , Tang Kai
Published: May 2022

Four monomers including AMPS, acrylic acid (AA), N,N-dimethylacrylamide (DMAA), and sodium allylsulfonate (AS) were used to synthesize quaternary fluid loss reducer (FRW) through copolymerization. The optimal reaction conditions were optimized by orthogonal experiment method, and the water loss reduction performance of FRW was evaluated. The results show that the optimal synthesis conditions for FRW are that the molar ratio of AMPS:AA:DMAA:AS is 4.2:1.8:3.5:0.5, the amount of initiator added is 0.3% of the total monomer mass, the monomer mass percentage is 40%, The reaction temperature was 50°C, and the pH was 7. The performance evaluation results show that FRW has good fluid loss control ability. Under the condition of adding 2%, the fluid loss is 141mL when the temperature is 220°C, which has no negative impact on the comprehensive performance of cement slurry and has strong practicability.
Molecular Dynamics Study on the Effect of Doping Defects on the Properties of CL-20/HMX Co-crystal Explosive
Authors: Yang Jiahao , Wang Yuling , Wang Chengzhou
Published: May 2022

In order to explore the influence of doping defects on the properties of CL-20 / HMX eutectic explosive, the models with different doping rates were calculated by molecular dynamics method. The results show that compared with the non-doped crystal model, the binding energy in the doped model is reduced by 0.332%~11.805%; The initiation bond length increased by 0.9%~4.6%; The binding diatomic interaction energy is reduced by 2.31%~15.46%; The cohesive energy density decreased by 19.75%~50.39%; The decreasing range of density is 0.697%~4.450%; The reduction range of detonation velocity is 0.744%~5.449%; The reduction range of explosion pressure is 1.864%~12.841%; The bulk modulus decreased by 0.4844~6.7461GPa, the shear modulus decreased by 0.9442~5.2329GPa, and the tensile modulus decreased by 2.0431~12.5374GPa. It shows that doping defects will reduce the stability, safety and detonation performance of explosives, and make the hardness, fracture resistance and rigid strength of explosives worse.
Microwave-assisted Synthesis of Greigite Fe3S4nanosheets wrapped in an rGO Matrix as anode material for Sodium-ion batteries
Authors: Choi Ikhwan , Liu Bolin , Zhu Youqi , Cao Chuanbao
Published: May 2022

Greigite (Fe3S4), which have ferromagnetic in inverse thiospinel (AB2S4), is widely researched to use an adsorbent and biomedical field because non-toxicity and abundant in nature. Iron-based materials are known to have a high theoretical capacity because of their multivalent state including redox pairs, but still suffer from collapse and aggregate during the charge/discharge process. Here, the synthesized Fe3S4nanosheet structure materials wrapped with reduced graphene oxide (Fe3S4NSs@rGO) were used as an anode electrode material for sodium-ion batteries (SIBs). The nano-sheet structure facilitates ion diffusion through expanded surface area, and rGO can effectively improve electrochemical conductivity and structure stability. As-prepared Fe3S4NSs@rGO were used as a host material to insert Na-ion via a conversion process, and the stabilized structure maintains the high capacity and long cycle performance. Thus, the Fe3S4NSs@rGO deliver a reversible capacity of 950 mAh g−1after 200 cycles at a current density of 1A g−1and 524 mAh g−1after 400 cycles at a current density of 2A g−1, which is much higher than reported materials.
Recent Advances in Enantioselective Organocatalytic Reactions Enabled by N-Heterocyclic Carbenes (NHCs) Containing Triazolium Motifs
Authors: Dhayalan Vasudevan , Dandela Rambabu , Sharma Deepika , Chatterjee Rana
Published: May 2022

N-Heterocyclic carbenes (NHCs) containing triazolium motifs have emerged as a powerful tool in organocatalysis. Recently, various NHC-catalyst-mediated organic transformations have been developed. This review aims to compile the current state of knowledge on enantioselective NHC-triazolium-catalyzed named reactions as well as introduce newly developed catalytic methods. Furthermore, this review article framework provides an excellent opportunity to highlight some of the unique applications of these catalytic procedures in the synthesis of natural products and biologically active compounds, notably the extensive processes for the preparation of substituted chiral alcohols and their derivatives. This review also provides an overview of the synthesis of chiral NHC-triazolium-catalyst libraries and their applications in catalytic enantioselective reactions.

1 Introduction

2 Synthesis of N‑Heterocyclic Carbenes Containing Triazolium Motifs

2.1 Pyrrolidine-Based Triazoliums NHCs: Px

2.2 Morpholine-Based Triazoliums NHCs: Mx

2.3 Aminoindane-Based Triazoliums NHCs: AMx

2.4 Oxazolidine-Based Heteroazoliums NHCs: Ox

2.5. Acyclic Triazoliums NHCs: Ax

3 Enantioselective Organocatalytic Reactions

3.1 Enantioselective Benzoin Reactions

3.1.1 Aldehyde–Aldehyde Homo-Benzoin Reactions

3.1.2 Aldehyde–Aldehyde Cross-Benzoin Reactions

3.1.3 Aldehyde–Ketone Cross-Benzoin Reactions

3.1.4 Aldehyde–Imine Cross-Benzoin Reactions

3.1.5 Aza-Benzoin Reactions

3.2 Enantioselective Stetter Reactions

3.2.1 Intramolecular Stetter Reactions

3.2.2 Intermolecular Stetter Reactions

3.3 Enantioselective Diels–Alder Reactions

3.4 Enantioselective Michael Additions

3.5 Enantioselective Rauhut–Currier Reactions

3.6 Enantioselective Cycloadditions

3.7 Enantioselective Michael–Stetter Cascade Reactions

3.8 Enantioselective Annulation Reactions

3.9 Synthesis of Spiro Compounds

3.10 Heterocycle Synthesis

3.11 Carbocycle Synthesis

3.12 Asymmetric Steglich Rearrangement Reactions

3.13 NHC-Mediated Asymmetric Acylation/Hydroacylation Reactions

3.14 Enantioselective α-Fluorination of Aliphatic Aldehydes

3.15 Functionalization of Carboxylic Anhydrides by NHC Catalysis

3.16 Asymmetric β-Boration of Acyclic Enones

3.17 Synthesis of Tropane Derivatives via Organocatalysis

3.18 Dynamic Kinetic Resolution of Pyranones via NHC Catalysis

3.19 Enantioselective Umpolung Reactions

3.20 Enantioselective Esterification of Ketenes

3.21 Asymmetric Synthesis of trans-γ-Lactams

3.22 Oxy-Cope Rearrangements

3.23 Claisen Rearrangements

3.24 Enantioselective Synthesis of Complex Heterocycles

3.25 Atroposelective Synthesis of N-Aryl Succinimides

3.26 Asymmetric α-Fluorination via Cascade Reactions

4 Conclusion
Syntheses of Aristotelia Alkaloids: Reflections in the Chiral Pool
Authors: Riley Andrew P. , Argade Malaika D.
Published: May 2022

The Aristotelia alkaloids are a family of monoterpene indole alkaloids possessing a characteristic azabicyclononane scaffold, which has been assembled by several synthetic methods. Herein we review those approaches that have adopted a biomimetic approach to unite heterocyclic synthons with chiral-pool monoterpenes. Throughout this discussion, the tendency of monoterpenes like α-pinene and limonene to undergo racemization is highlighted, revealing the challenges in developing stereospecific syntheses of these alkaloids. Finally, we provide a brief discussion of how these synthetic efforts have enabled the structural confirmation and elucidation of the Aristotelia alkaloids’ absolute configurations, including our own recent efforts to employ bioactivity data to deduce the naturally occurring configuration of the quinoline alkaloid aristoquinoline.

1 Introduction

2 Mercury-Mediated Ritter-Like Reactions

3 Brønsted Acid Mediated Ritter-Like Reactions

4 Synthesis of Aristoquinoline: Ritter-Like Reaction Approach

5 Aza-Prins-Type Reaction in the Synthesis of Aristotelia Alkaloids

6 Determination of Naturally Occurring Absolute Stereochemistry

7 Conclusions
Bronchial Artery Embolization for Life-Threatening Hemoptysis in COVID-19 Patients
Authors: Keshmiri Mohammad Sadegh , Aghdasi Sina , Noorali Sima , Shafaghi Shadi , Serati Alireza , Naghashzadeh Farah , Movahed Mohammad Reza , Shadanfar Sharare , Hajimoradi Maryam , Kashani Babak Sharif
Published: May 2022

After the outbreak of the novel coronavirus at the end of December 2019 in China, it has become a global pandemic. Clinical manifestation of coronavirus disease 2019 (COVID-19) has a wide range of presentations from asymptomatic to severe multi-organ involvement. Hemoptysis appears to be one of the major manifestations of severe acute respiratory syndrome that is related to COVID-19 infection. The occurrence of hemoptysis is multifactorial. However, massive hemoptysis is usually related to pulmonary aspergillosis or severe bronchiectasis due to corticosteroid pulse therapy that can be life-threatening. This manuscript presents five cases of successful life-saving bronchial artery embolization in patients with COVID-19 infection who were suffering from massive hemoptysis that was mostly related to aspergillosis and bronchiectasis. These cases are followed by a review of the literature.
Phase shifting profilometry based on Hilbert transform: An efficient phase unwrapping algorithm
Authors: Meng Xianglin , Wang Fei , Liu Junyan , Chen Mingjun , Wang Yang
Published: May 2022

Digital fringe projection profilometry based on phase-shifting technology is a reliable method for complex shape measurement, and the phase is one of the most important factors affecting measurement accuracy. The calculation of the absolute phase depends on the calculation of the wrapped phase and encoding technology. In this paper, a technique of obtaining the absolute phase of multi-frequency heterodyne fringe images using the Hilbert transform is presented. Since the wrapped phase can be calculated from only one fringe image of each frequency, the method does not need phase-shifting. The absolute phase can be obtained from the wrapped phase by applying the heterodyne method. The measurement time and computational complexity are dramatically reduced, the measurement efficiency is greatly improved, and this benefit from the number of images is greatly reduced. The experimental results show that the method presented in this paper performs well in the application, and the accuracy is no different from that of the phase-shifting method while the efficiency is greatly improved.
Microrheology of a thermosensitive gelling polymer for cell culture
Authors: Buzzaccaro Stefano , Ruzzi Vincenzo , Faleo Tommaso , Piazza Roberto
Published: May 2022

We investigate the rheo-mechanical properties of Mebiol Gel®, a thermosensitive gel-forming polymer extensively used as a medium for cellular culture, using passive microrheology made either by standard dynamic light scattering or by photon correlation imaging. In the dilute limit, Mebiol displays a Newtonian behavior with an effective viscosity that decreases with temperature, consistent with a peculiar aggregation mechanism characterized by an increase of the molecular weight with a simultaneous reduction of the aggregate size. By increasing concentration and approaching gelation, both the storage and loss moduli show a nonmonotonic dependence with temperature, with a pronounced maximum around Tm ≃ 28–30 °C, the value above which, in the dilute limit, the individual Mebiol chains are fully compacted. Such a distinctive trend of the elastic and viscous properties persists within the gel, which, therefore, becomes “softer” above Tm. Although when temperature changes are performed adiabatically, the transition from the fluid to the gel phase takes place without any apparent discontinuity, a rapid T-jump leads to the formation of a hard gel at a concentration where a low heating rate conversely yields a fluid phase. This is a visible manifestation of the nonequilibrium nature of these physical gels.
Modeling colloidal interactions that predict equilibrium and non-equilibrium states
Authors: Ryu Brian K. , Fenton Scott M. , Nguyen Tuan T. D. , Helgeson Matthew E. , Zia Roseanna N.
Published: May 2022

Modulating the interaction potential between colloids suspended in a fluid can trigger equilibrium phase transitions as well as the formation of non-equilibrium “arrested states,” such as gels and glasses. Faithful representation of such interactions is essential for using simulation to interrogate the microscopic details of non-equilibrium behavior and for extrapolating observations to new regions of phase space that are difficult to explore in experiments. Although the extended law of corresponding states predicts equilibrium phases for systems with short-ranged interactions, it proves inadequate for equilibrium predictions of systems with longer-ranged interactions and for predicting non-equilibrium phenomena in systems with either short- or long-ranged interactions. These shortcomings highlight the need for new approaches to represent and disambiguate interaction potentials that replicate both equilibrium and non-equilibrium phase behavior. In this work, we use experiments and simulations to study a system with long-ranged thermoresponsive colloidal interactions and explore whether a resolution to this challenge can be found in regions of the phase diagram where temporal effects influence material state. We demonstrate that the conditions for non-equilibrium arrest by colloidal gelation are sensitive to both the shape of the interaction potential and the thermal quench rate. We exploit this sensitivity to propose a kinetics-based algorithm to extract distinct arrest conditions for candidate potentials that accurately selects between potentials that differ in shape but share the same predicted equilibrium structure. The algorithm selects the candidate that best matches the non-equilibrium behavior between simulation and experiments. Because non-equilibrium behavior in simulation is encoded entirely by the interparticle potential, the results are agnostic to the particular mechanism(s) by which arrest occurs, and so we expect our method to apply to a range of arrested states, including gels and glasses. Beyond its utility in constructing models, the method reveals that each potential has a quantitatively distinct arrest line, providing insight into how the shape of longer-ranged potentials influences the conditions for colloidal gelation.
The temperatures of ejecta transporting in vacuum and gases
Authors: Hartsfield T. M. , Schulze R. K. , La Lone B. M. , Charonko J. J. , Hammerberg J. E. , Regele J. D. , Schauer M. M. , Schwarzkopf J. D. , Sheppard D. G. , Stevens G. D. , Cooley J. C. , Donovan P. M. , Manzanares R. , Martinez J. I. , Schmidt D. W. , Staska M. D. , Valencia R. J. , Turley W. D. , Buttler W. T.
Published: May 2022

In this work, we measure continuous thermal radiance from evolving clouds of liquid metal fragments ejected into vacuum, nonreactive, and reactive gas. We implement a model for the thermalization of the ejecta and gas and use this to constrain the absolute temperature of the ejecta cloud. This model enables further analyses of ejecta thermal behavior under a variety of conditions.
Melting curve of magnesium up to 460 GPa from ab initio molecular dynamics simulations
Authors: Cui Chengfeng , Xian Jiawei , Liu Haifeng , Tian Fuyang , Gao Xingyu , Song Haifeng
Published: May 2022

Based on ab initio molecular dynamics simulations, we determined the melting curve of magnesium (Mg) up to ∼460 GPa using the solid–liquid coexistence method. Between ∼30 and 100 GPa, our melting curve is noticeably lower than those from static experiments but is in good agreement with recent shock experiments. Up to ∼450 GPa, our melting curve is generally consistent with the melting points from first-principles calculations using the small-cell coexistence method. We found that, at high pressures of a few hundred GPa, due to the strong softening of interatomic interactions in the liquid phase, solid–liquid coexistence simulations of Mg show some characteristics distinctively different from other metal systems, such as aluminum. For example, at a given volume, the pressure and temperature range for maintaining a stable solid–liquid coexistence state can be very small. The strong softening in the liquid phase also causes the unusual behavior of reentrant melting to occur at very high pressures. The onset of reentrant melting is predicted at ∼305 GPa, close to that at ∼300 GPa from the small-cell coexistence method. We show that the calculated melting points, considering reentrant melting, can be excellently fitted to a low-order Kechin equation, thereby making it possible for us to obtain a first-principles melting curve of Mg at pressures above 50 GPa for the first time. Similar characteristics in solid–liquid coexistence simulations, as well as reentrant melting, are also expected for other systems with strong softening in the liquid phase at high pressures.
Intricate interplay between superconductivity and topological surface states of c axis oriented MoTe2
Authors: Afzal Hasan , Patidar Manju Mishra , Saravanan M. P. , Venkatesh R. , Ganesan V.
Published: May 2022

The interaction between superconductivity and spin-polarized surface states of topological materials provides an exciting platform for the research and development of proximity induced coupling effects, Majorana fermions, spin valves, spintronics, etc. and so on. In this work, the inverse proximity effect observed exactly at the super conducting transition temperature of indium (3.5 K) demonstrates the complex interplay between robust 2D spin-polarized surface states observed in our (002n) oriented MoTe2 nanolayer sheets with that of superconducting states. Interestingly, our phenomenological model based on the Werthamer-Helfand-Hohenberg (WHH) model and Ginzburg–Landau formalism, invoked to validate the experimental observations, indicates a competition between superconductivity and topological order, marked by a close correspondence between the temperature of crossover (Tcr = 2.45 K) of their respective length scales, ξ and Lφ, and the saturation temperature in resistivity.
Supersonic–subsonic transition region in radiative heat flow via self-similar solutions
Authors: Malka Elad , Heizler Shay I.
Published: May 2022

We study the radiative hydrodynamics flow of radiation-driven heat waves in hot dense plasmas, using approximate self-similar solutions. Specifically, we have focused on the intermediate regime between the pure radiative supersonic flow and the pure subsonic regime. These two regimes were investigated using both exact self-similar solutions and numerical simulations; however, most of the study used numerical simulations, mainly because the radiative heat wave and the shock regions are not self-similar altogether. In a milestone work [Garnier et al., “Self-similar solutions for a nonlinear radiation diffusion equation,” Phys. Plasmas 13, 092703 (2006)], it was found that for a specific power law dependency temperature profile, a unique exact self-similar solution exists that is valid for all physical regimes. In this work, we approximate Garnier's exact solution for a general power-law temperature-dependency, using simple analytical considerations. This approximate solution yields a good agreement compared to numerical simulations for the different thermodynamic profiles within the expected range of validity. In addition, we offer an approximate solution for the energies absorbed in the matter, again, for a general power-law temperature profile. Our approximate self-similar solution for the energy yields very good results compared to exact numerical simulations for both gold and Ta2O5. We also set a comparison of our self-similar solutions with the results of an experiment for radiation temperature measurement in a Hohlraum in low-density foams that is addressed directly to the intermediate regime, yielding a good agreement and similar trends. The different models as well as the numerical simulations are powerful tools to analyze the supersonic–subsonic transition region.
Interpreting ion-energy distributions using charge exchange emitted from deeply kinetic field-reversed-configuration plasmas
Authors: Glasser A. H. , Cohen S. A.
Published: May 2022

Energy resolving the atomic hydrogen outflux created within plasmas by charge exchange (CX) of hot plasma ions with cooler hydrogen neutrals is used to infer the ion energy distribution within the plasma, IEDp. In high-β plasma with field nulls and ion gyro-radii comparable to the plasma size, the measured ion energy distribution (IEDm) of the CX outflux will depend on the viewing angle and position of the detector. We describe the physics for this, results from a synthetic diagnostic code that contrasts the IEDm to the IEDp within relatively small and hot field-reversed-configuration plasmas, and how these data can show the presence of magnetic nulls and different orbit classes in the plasma.
Complex network growth model: Possible isomorphism between nonextensive statistical mechanics and random geometry
Authors: Tsallis Constantino , Oliveira Rute
Published: May 2022

In the realm of Boltzmann–Gibbs statistical mechanics, there are three well known isomorphic connections with random geometry, namely, (i) the Kasteleyn–Fortuin theorem, which connects the λ→1 limit of the λ-state Potts ferromagnet with bond percolation, (ii) the isomorphism, which connects the λ→0 limit of the λ-state Potts ferromagnet with random resistor networks, and (iii) the de Gennes isomorphism, which connects the n→0 limit of the n-vector ferromagnet with self-avoiding random walk in linear polymers. We provide here strong numerical evidence that a similar isomorphism appears to emerge connecting the energy q-exponential distribution ∝eq−βqε (with q=4/3 and βqω0=10/3) optimizing, under simple constraints, the nonadditive entropy Sq with a specific geographic growth random model based on preferential attachment through exponentially distributed weighted links, ω0 being the characteristic weight.
Construction of the miRNA–mRNA regulatory networks for both the cartilage formation and remodel zones in the antler tip in sika deer (
Authors: Wang Ke , Zhao Ye , Cong Lele , Sun Hongyan , Ba Hengxing , Li Chunyi , Wang Yimin , Cong Xianling
Published: May 2022

Context Deer antlers offer a premium model for investigating the mechanisms underlying arguably the most rapid cartilage formation and remodelling system. Although the cartilage formation process in the antler has been relatively intensively studied, thus far, at a molecular level, the cartilage remodelling has essentially been untouched. Aims To construct miRNA–mRNA regulatory networks for both the cartilage formation and remodel zones in the antler tip. Methods The tissues from both the cartilage formation zone (FZ) and remodel zone (RZ) in rapid growing antlers of sika deer were sampled, profiles of both mRNA and miRNA from these samples were sequenced and analysed, miRNA–mRNA regulatory networks for these two zones were constructed, and their encoded/targeted differentially expressed genes (DEGs) were identified through bioinformatics analysis. Key results In total, 3703 DEGs in the FZ over the RZ were identified, with 1615 being upregulated and 2088 downregulated. The upregulated DEGs in the FZ were found to be mainly enriched in cell proliferation and chondrogenesis/osteogenesis, whereas those in the RZ were enriched in the formation of chondroclasts and osteoclasts. In total, 308 unique mature miRNAs were detected including 110 significantly differentially expressed miRNAs. These miRNAs are predicted to target extracellular matrix proteins, growth factors and receptors, and transcriptional factors, all related to cartilage formation and remodelling. To verify the reliability of our datasets, we successfully tested the regulatory function of one of the top 10 hub miRNAs, miR-155, in vitro. Conclusions The miRNA–mRNA regulatory networks for cartilage formation zone (FZ) in relation to cartilage remodel zone (RZ) were successfully constructed, and validated, which has laid the foundation for the identification of potent growth factors and novel regulation system in bone formation through endochondral ossification. Implications We believe that our datasets are reliable for further mining potent growth factors and novel regulation systems for rapid cartilage formation, remodelling and bone fracture repair by using this unique model, the deer antler.
Impact of litter quality on the stability and storage of soil carbon in flooded wetlands
Authors: Liu Xin , Liu Yajun , Ma Yantian , Mou Xiaozhen , Wu Lan
Published: May 2022

Context High inputs of plant litters and slow decomposition of soil organic carbon (SOC) influence the biogeochemical cycling of soil carbon in flooded wetlands. Aims To investigate the effects of different quality litter inputs on SOC stability and storage in flooded wetlands. Methods A 180-day microcosmic experiment to investigated the decomposition of litters of two dominant plants (Carex cinerascens Kukenth., CC; Cyperaceae family) and Triarrhena lutarioriparia L. Liu, TL; Poaceae family), in Poyang Lake Wetlands. Key results CC litters (high-quality, low lignin/N mass ratio) reduced gross content of SOC, but increased labile carbon and labile index (LI) of soils. In contrast, inputs of TL litters (low-quality, high lignin/N mass ratio) increased SOC gross content and recalcitrant carbon fractions of soils, but reduced soil labile carbons and LI. Significant effects of litters on SOC were not observed until ∼30 days indicating that the effects of litter inputs on soil carbon pools in flooded wetlands need time to be activated. CC and TL litters both increased the soil microbial biomass carbon (MBC) content. Soil MBC in CC treatments was significantly affected by the litter ash-free dry mass, while that in TL treatments was significantly affected by mass loss. Conclusions Litter quality may regulate the growth of soil MBC via different microbial growth strategies. Implications Our results suggest that inputs of high-quality litters can yield a high amount of labile carbon through stimulated microbial decomposition, leading to an overall loss of carbon. In contrast, inputs of low-quality litters can promote the microbial production of more recalcitrant carbons and increase soil carbon stability and carbon sequestration.
Altered CXCR4 dynamics at the cell membrane impairs directed cell migration in WHIM syndrome patients
Authors: García-Cuesta Eva M. , Rodríguez-Frade José Miguel , Gardeta Sofía R. , D’Agostino Gianluca , Martínez Pablo , Soler Palacios Blanca , Cascio Graciela , Wolf Tobias , Mateos Nicolas , Ayala-Bueno Rosa , Santiago César A. , Lucas Pilar , Llorente Lucia , Allende Luis M. , González-Granado Luis Ignacio , Martín-Cófreces Noa , Roda-Navarro Pedro , Sallusto Federica , Sánchez-Madrid Francisco , García-Parajo María F. , Martínez-Muñoz Laura , Mellado Mario
Published: May 2022

Significance

New imaging-based approaches are incorporating new concepts to our knowledge of biological processes. The analysis of receptor dynamics involved in cell movement using single-particle tracking demonstrates that cells require chemokine-mediated receptor clustering to sense appropriately chemoattractant gradients. Here, we report that this process does not occur in T cells expressing CXCR4
R334X
, a mutant form of CXCR4 linked to WHIM syndrome (warts, hypogammaglobulinemia, infections, myelokathexis). The underlaying molecular mechanism involves inappropriate actin cytoskeleton remodeling due to the inadequate β-arrestin1 activation by CXCR4
R334X
, which alters its lateral mobility and spatial organization. These defects, associated to CXCR4
R334X
expression, contribute to the retention of hematopoietic precursors in bone marrow niches and explain the severe immunological symptoms associated with WHIM syndrome.
Indentation creep behaviour of the magnesium AZ61–0.7Si–xBi cast alloys
Authors: Sadeghi H. , Geranmayeh A. R.
Published: May 2022

Creep behaviour of the AZ61–0.7Si–xBi cast magnesium alloys were studied by Vickers indentation testing under constant load of 5 N in the temperature range of 423–523 K. The results indicate that increasing Bi content improved the creep resistance at all test temperatures. This was caused by the higher volume fraction of the thermally stable Mg3Bi2 intermetallic particles, as the principal strengthening cause, which compensated the possible effects of the lower amount of the Mg2Si particles. According to the obtained stress exponents of about 6.7 and activation energies in the range of 84.6–88.1 kJ mol−1, dislocation pipe diffusion was suggested as the dominant creep mechanism.
Crumbs complex–directed apical membrane dynamics in epithelial cell ingression
Authors: Simões Sérgio , Lerchbaumer Gerald , Pellikka Milena , Giannatou Paraskevi , Lam Thomas , Kim Dohyun , Yu Jessica , ter Stal David , Al Kakouni Kenana , Fernandez-Gonzalez Rodrigo , Tepass Ulrich
Published: May 2022

Epithelial cells often leave their tissue context and ingress to form new cell types or acquire migratory ability to move to distant sites during development and tumor progression. Cells lose their apical membrane and epithelial adherens junctions during ingression. However, how factors that organize apical–basal polarity contribute to ingression is unknown. Here, we show that the dynamic regulation of the apical Crumbs polarity complex is crucial for normal neural stem cell ingression. Crumbs endocytosis and recycling allow ingression to occur in a normal timeframe. During early ingression, Crumbs and its complex partner the RhoGEF Cysts support myosin and apical constriction to ensure robust ingression dynamics. During late ingression, the E3-ubiquitin ligase Neuralized facilitates the disassembly of the Crumbs complex and the rapid endocytic removal of the apical cell domain. Our findings reveal a mechanism integrating cell fate, apical polarity, endocytosis, vesicle trafficking, and actomyosin contractility to promote cell ingression, a fundamental morphogenetic process observed in animal development and cancer.
Interleukin-4 receptor signaling modulates neuronal network activity
Authors: Hanuscheck Nicholas , Thalman Carine , Domingues Micaela , Schmaul Samantha , Muthuraman Muthuraman , Hetsch Florian , Ecker Manuela , Endle Heiko , Oshaghi Mohammadsaleh , Martino Gianvito , Kuhlmann Tanja , Bozek Katarzyna , van Beers Tim , Bittner Stefan , von Engelhardt Jakob , Vogt Johannes , Vogelaar Christina Francisca , Zipp Frauke
Published: May 2022

Evidence is emerging that immune responses not only play a part in the central nervous system (CNS) in diseases but may also be relevant for healthy conditions. We discovered a major role for the interleukin-4 (IL-4)/IL-4 receptor alpha (IL-4Rα) signaling pathway in synaptic processes, as indicated by transcriptome analysis in IL-4Rα–deficient mice and human neurons with/without IL-4 treatment. Moreover, IL-4Rα is expressed presynaptically, and locally available IL-4 regulates synaptic transmission. We found reduced synaptic vesicle pools, altered postsynaptic currents, and a higher excitatory drive in cortical networks of IL-4Rα–deficient neurons. Acute effects of IL-4 treatment on postsynaptic currents in wild-type neurons were mediated via PKCγ signaling release and led to increased inhibitory activity supporting the findings in IL-4Rα–deficient neurons. In fact, the deficiency of IL-4Rα resulted in increased network activity in vivo, accompanied by altered exploration and anxiety-related learning behavior; general learning and memory was unchanged. In conclusion, neuronal IL-4Rα and its presynaptic prevalence appear relevant for maintaining homeostasis of CNS synaptic function.
Photonic bandgap engineering in (VO2)
n
/(WSe2)
n
photonic superlattice for versatile near- and mid-infrared phase transition applications
Authors: Basyooni Mohamed A , Zaki Shrouk E , Tihtih Mohammed , Eker Yasin Ramazan , Ateş Şule
Published: May 2022

The application of the photonic superlattice in advanced photonics has become a demanding field, especially for two-dimensional and strongly correlated oxides. Because it experiences an abrupt metal–insulator transition near ambient temperature, where the electrical resistivity varies by orders of magnitude, vanadium oxide (VO2) shows potential as a building block for infrared switching and sensing devices. We reported a first principle study of superlattice structures of VO2 as a strongly correlated phase transition material and tungsten diselenide (WSe2) as a two-dimensional transition metal dichalcogenide layer. Based on first-principles calculations, we exploit the effect of semiconductor monoclinic and metallic tetragonal state of VO2 with WSe2 in a photonic superlattices structure through the near and mid-infrared (NIR–MIR) thermochromic phase transition regions. By increasing the thickness of the VO2 layer, the photonic bandgap (PhB) gets red-shifted. We observed linear dependence of the PhB width on the VO2 thickness. For the monoclinic case of VO2, the number of the forbidden bands increase with the number of layers of WSe2. New forbidden gaps are preferred to appear at a slight angle of incidence, and the wider one can predominate at larger angles. We presented an efficient way to control the flow of the NIR–MIR in both summer and winter environments for phase transition and photonic thermochromic applications. This study’s findings may help understand vanadium oxide’s role in tunable photonic superlattice for infrared switchable devices and optical filters.
Radiomics evaluates the EGFR mutation status from the brain metastasis: a multi-center study
Authors: Cao Ran , Pang Ziyan , Wang Xiaoyu , Du Zhe , Chen Huanhuan , Liu Jiani , Yue Zhibin , Wang Huan , Luo Yahong , Jiang Xiran
Published: May 2022

Objective. To develop and externally validate habitat-based MRI radiomics for preoperative prediction of the EGFR mutation status based on brain metastasis (BM) from primary lung adenocarcinoma (LA). Approach. We retrospectively reviewed 150 and 38 patients from hospital 1 and hospital 2 between January 2017 and December 2021 to form a primary and an external validation cohort, respectively. Radiomics features were calculated from the whole tumor (W), tumor active area (TAA) and peritumoral oedema area (POA) in the contrast-enhanced T1-weighted (T1CE) and T2-weighted (T2W) MRI image. The least absolute shrinkage and selection operator was applied to select the most important features and to develop radiomics signatures (RSs) based on W (RS-W), TAA (RS-TAA), POA (RS-POA) and in combination (RS-Com). The area under receiver operating characteristic curve (AUC) and accuracy analysis were performed to assess the performance of radiomics models. Main results. RS-TAA and RS-POA outperformed RS-W in terms of AUC, ACC and sensitivity. The multi-region combined RS-Com showed the best prediction performance in the primary validation (AUCs, RS-Com versus RS-W versus RS-TAA versus RS-POA, 0.901 versus 0.699 versus 0.812 versus 0.883) and external validation (AUCs, RS-Com versus RS-W versus RS-TAA versus RS-POA, 0.900 versus 0.637 versus 0.814 versus 0.842) cohort. Significance. The developed habitat-based radiomics models can accurately detect the EGFR mutation in patients with BM from primary LA, and may provide a preoperative basis for personal treatment planning.
RA V-Net: deep learning network for automated liver segmentation
Authors: Lee ZhiQi , Qi SuMin , Fan ChongChong , Xie ZiWei , Meng Jing
Published: May 2022

Objective. Segmenting liver from CT images is the first step for doctors to diagnose a patient’s disease. Processing medical images with deep learning models has become a current research trend. Although it can automate segmenting region of interest of medical images, the inability to achieve the required segmentation accuracy is an urgent problem to be solved. Approach. Residual Attention V-Net (RA V-Net) based on U-Net is proposed to improve the performance of medical image segmentation. Composite Original Feature Residual Module is proposed to achieve a higher level of image feature extraction capability and prevent gradient disappearance or explosion. Attention Recovery Module is proposed to add spatial attention to the model. Channel Attention Module is introduced to extract relevant channels with dependencies and strengthen them by matrix dot product. Main results. Through test, evaluation index has improved significantly. Lits2017 and 3Dircadb are chosen as our experimental datasets. On the Dice Similarity Coefficient, RA V-Net exceeds U-Net 0.1107 in Lits2017, and 0.0754 in 3Dircadb. On the Jaccard Similarity Coefficient, RA V-Net exceeds U-Net 0.1214 in Lits2017, and 0.13 in 3Dircadb. Significance. Combined with all the innovations, the model performs brightly in liver segmentation without clear over-segmentation and under-segmentation. The edges of organs are sharpened considerably with high precision. The model we proposed provides a reliable basis for the surgeon to design the surgical plans.
A novel reversible fluorescent probe for Cu2+ and S2− ions and imaging in living cells
Authors: Cheng Shuaici , Sun Ran , Wu Zhuozhao , Mei Huihui , Yang Haocheng , Kong Qingqing , Xu Kuoxi
Published: May 2022

A novel fluorescent probe TSOC (thiazole salicylaldehyde oxazole chlorinated) was synthesized based on benzothiazole conjugated olefinic bonds with salicylicaldehyde unit as fluorophore and a phenyl oxazole unit as bonding unit. The probe could reversibly detect of Cu2+ and S2− over other common ions with longer emission and large stokes shift in an aqueous solution at pH 7.3 (DMSO-Hepes, v/v, 5:1, 10 mM). The bonding mechanism was supported through the titration experiment of fluorescence and absorption spectroscopy, 1H-NMR titration, HR-MS and DFT calculations. Moreover, the probe further exhibited good cell permeability and were successfully used to visualize Cu2+ and S2− in living cells.
Prediction of high-temperature flow stress of HMn64–8–5–1.5 manganese brass alloy based on modified Zerilli-Armstrong, Arrhenius and GWO-BPNN model
Authors: Liang Qiang , Zhang Xianming , Liu Xin , Li Yongliang
Published: May 2022

An accurate constitutive model is essential for designing the process of hot precision forging and numerical simulation. Based on the isothermal compression tests of as-extruded HMn64–8–5–15 manganese brass alloy at the deformation temperature of 873–1073 K and strain rate of 001–10 s−1, the effect of the friction and deformation temperature rise on the flow stress during the hot compression process was analyzed, and the flow stress curves were corrected. Three constitutive models based on the modified Zerilli-Armstrong, Arrhenius, and a back-propagation neural network (BPNN) optimized by the grey wolf optimization (GWO) algorithm (GWO-BPNN) models were established to describe the high-temperature flow stress of this alloy. Meanwhile, the prediction ability of the three models was evaluated by the calculated values of mean absolute percentage error (MAPE) and root mean square error (RMSE). The values of MAPE for the modified Zerilli-Armstrong, Arrhenius, and GWO-BPNN models were computed to be, 3139 %, 2448 % and 1265 %, and the values of RMSE were calculated to be 1804, 1482 and 0467 MPa, respectively. The GWO-BPNN model was with the greatest prediction ability for the flow stress among these models. The GWO algorithm was introduced to optimize the initial weights and thresholds of the BPNN model, and it has good prediction accuracy and better stability. It can better describe the high-temperature flow behavior of HMn64–8–5–15 alloy.
Molecularly imprinted polymer on roll-to-roll printed electrodes as a single use sensor for monitoring of cortisol in sweat
Authors: Gillan Liam , Jansson Elina
Published: May 2022

Cortisol is involved in regulating many human physiological functions, with cortisol imbalance capable of causing adverse mental and physical health conditions. Existing tools for monitoring of cortisol can assist in alerting the need for mediation strategies, but these typically require time consuming processes such as sample preparation followed by laboratory analysis. This work demonstrates a miniature flexible sensor patch incorporating electrode structures produced by high throughput roll-to-roll rotary screen-printing process, which are subsequently functionalized by electropolymerization of a polypyrrole/Prussian blue molecularly imprinted polymer for measuring cortisol by chronoamperometry. The developed single use sensor patch provides acceptable selectivity for cortisol and operates in artificial eccrine perspiration across a broad concentration range of 0.1–10 000 ng ml−1 (R
2 = 0.916). In the application of measuring thermally induced sweat, the sensor provided results in agreement with the natural circadian rhythm of fluctuating cortisol.