bluuebunny/crossref_metadata_2025 huggingface dataset:
Robust secure beamforming algorithm for intelligent reflecting surface-assisted satellite-terrestrial integrated networks
Authors: Xiao Sheng-Jie , Lin Min , Zhao Bai , Lin Zhi , Cheng Ming ,   College of Telecommunications and Information Engineering, Nanjing University of Posts and Telecommunications, Nanjing 210003, China,   Institute of Electronic Countermeasure, National University of Defense Technology, Hefei 230037, China
Published: January 2022

For intelligent reflection surface (IRS) assisted satellite-terrestrial integrated network (STIN), a robust secure beamforming method based on the imperfect channel state information (CSI) of eavesdroppers is proposed. First of all, considering that the satellite uses spot beam technology to serve the earth station, while the ground base station (BS) serves multiple ground users through multicast technology, and in the case of frequency spectrum shared between the two networks, a joint optimization problem is formulated to minimize the total transmit power of STIN while satisfying the quality of service constraints of the BS users and the achievable secrecy rate constraints of the earth station. Secondly, in order to solve this non-convex problem, the upper bound and the lower bound of the eavesdroppers’ output signal-to-noise ratio under the condition of imperfect CSI are derived by employing triangle inequality together with Holder inequality. Then, a joint optimization scheme of robust BF and power control based on semi-positive definite programming and penalty function method is proposed to realize the secure and reliable transmission in STIN. Finally, the simulation results verify the effectiveness and superiority of the proposed algorithm.
The fabrication and physical properties of two-dimensional van der Waals heterostructures
Authors: Wu Yan-Fei , Zhu Meng-Yuan , Zhao Rui-Jie , Liu Xin-Jie , Zhao Yun-Chi , Wei Hong-Xiang , Zhang Jing-Yan , Zheng Xin-Qi , Shen Jian-Xin , Huang He , Wang Shou-Guo ,   Department of Materials Physics and Chemistry, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China,   Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
Published: January 2022

Two-dimensional van der Waals materials (2D materials for short) have developed into a novel material family that has attracted much attention, and thus the integration, performance and application of 2D van der Waals heterostructures has been one of the research hotspots in the field of condensed matter physics and materials science. The 2D van der Waals heterostructures provide a flexible and extensive platform for exploring diverse physical effects and novel physical phenomena, as well as for constructing novel spintronic devices. In this topical review article, starting with the transfer technology of 2D materials, we will introduce the construction, performance and application of 2D van der Waals heterostructures. Firstly, the preparation technology of 2D van der Waals heterostructures in detail will be presented according to the two classifications of wet transfer and dry transfer, including general equipment for transfer technology, the detailed steps of widely used transfer methods, a three-dimensional manipulating method for 2D materials, and hetero-interface cleaning methods. Then, we will introduce the performance and application of 2D van der Waals heterostructures, with a focus on 2D magnetic van der Waals heterostructures and their applications in the field of 2D van der Waals magnetic tunnel junctions and moiré superlattices. The development and optimization of 2D materials transfer technology will boost 2D van der Waals heterostructures to achieve breakthrough results in fundamental science research and practical application.
Evolution of quantum coherence of qutrit-qutrit system under correlated depolarizing channels
Authors: Dong Yao , Ji Ai-Ling , Zhang Guo-Feng ,   School of Physics, Beihang University, Beijing 100191, China,   School of Physics, University of Chinese Academy of Sciences, Beijing 100190, China
Published: January 2022

In order to study the decoherence process of quantum system and find the ways to delay it, in this paper we investigate the decoherence process under correlated depolarizing channels by calculating the evolution of norm coherence, relative entropy coherence and basis-independent coherence of the three initial states: special initial state, maximum coherent state and isotropic state. From the analytic results, numerical results and evolution images, it can be found that 1) completely correlated channels can suppress decoherence to a greatest extent,. 2) the time point at which maximum decoherence occurs is irrelevant to the degree of correlation, but system’s decoherence evolution behavior depends on it. 3)the correlation of depolarizing channels can reinforce the collective quantum coherence between subsystems, and an inequality relation of basis-independent coherence is proved in this system.
First-principles study on effect of alloying elements on heterogeneous nucleation of reverse austenite on Cu precipitation
Authors: Wu Di , Yang Yong , Zhang Xiao-Feng , Huang Zhen-Yi , Wang Zhao-Dong ,   Anhui Province Key Laboratory of Metallurgical Engineering & Resources Recycling, Anhui University of Technology, Ma’anshan 243002, China,   School of Metallurgical Engineering, Anhui University of Technology, Ma’anshan 243000, China,   State Key Laboratory of Rolling and Automation, Northeastern University, Shenyang 110819, China
Published: January 2022

The mechanical properties of ultra-high strength martensite steel strongly depend on the shape, size and content of the reversed austenite. In general, the plasticity and toughness of the materials can be improved effectively by increasing the content of the reversed austenite. After aging treatment of Cu-bearing as-quenched steel with martensitic microstructure, Cu particles precipitate at the boundary of martensitic structure and act as heterogeneous nucleation sites to promote the nucleation of reversed austenite. In order to explore the effects of different alloying elements on heterogeneous nucleation of reversed austenite on Cu particles, the effects of X (X = Cr, Al, Mo, W, Ni, Co, Mn) on the interfacial properties of Cu/γ-Fe are studied via first-principles method. The adhesion work, interfacial energy and electronic structure of the interfaces before and after the replacement of Cu and Fe atoms at Cu/γ-Fe boundaries are calculated. The results show that when the alloying elements replace Cu atoms at the Cu/γ-Fe interface, strong X—Fe covalent bond forms at the Cu/γ-Fe interface, the adhesion work increases and the interfacial energy decreases, and thus improve the heterogeneous nucleation capability of reverted γ-Fe on Cu particles. When Fe atoms at the interface are replaced, the stability of the interface changes little, and the bonding between the doped atoms and the neighboring atoms is weak.
Different segregation behavior of alloying elements Cu/Ti at L12-Al3Sc/Al interface
Authors: Yao Jian-Gang , Gong Yu-Xiang , Jiang Yong ,   School of Materials Science and Engineering, Yantai Nanshan University, Yantai 265713, China,   School of Materials Science and Engineering, Central South University, Changsha 410083, China
Published: January 2022

Thermal stabilities of L12-Al3Sc nano-precipitates are critical for the thermotolerance of Al-Sc based alloys. Previous experiments have suggested that different alloying elements may have different segregation behaviors at the L12-Al3Sc/Al interface, which can exert different influences on the thermal stability of L12-Al3Sc nano-precipitates. To clarify the responsible mechanism from a quantitative approach, first-principles calculations of energetics are performed in this work, to investigate the segregation behaviors of transition-metal elements Cu and Ti at the L12-Al3Sc/Al interface. The results suggest that both Cu and Ti can segregate to the interface, and substitute Al or Sc sites on its Al side with different thermodynamic driving forces. Given a temperature, segregation amount is largely determined by the initial elemental concentration in the Al matrix. The higher the segregation driving force and the initial matrix concentration are, the higher the equilibrium segregation amount (or the maximum interfacial coverage) could be. With an initial matrix atomic concentration of 1%, the maximum interfacial coverage of Ti can reach up to 80% (0.8 monolayer layer (ML)) while that of Cu is less than 4% (0.04 ML) at T = 600 K.
First-principles study of strain effect on magnetic and optical properties in (Ga, Mo)Sb
Authors: Pan Feng-Chun , Lin Xue-Ling , Wang Xu-Ming ,   School of Physics and Electronic-Electrical Engineering, Ningxia University, Yinchuan 750021, China
Published: January 2022

In recent decades, as a kind of critical material in spintronics field, the diluted magnetic semiconductor with high temperature and intrinsic ferromagnetism has attracted extensive attention. In order to explore the approach to enhancing Curie temperature (TC), the LDA+U method of the first-principles calculation is adopted to study the effect of strain on electronic structure, magnetic and optical properties in Mo doped GaSb system. The results indicate that the structure of GaSb is stable with strain in a range of –6%—2.5%. Plasticity and toughness of GaSb increase under compressive strains, which is conducive to the improvement of the mechanical properties. The strain affects the electronic structure of MoGa greatly. In a range from –3% to –1.2%, MoGa is in the low spin state (LSS) with a 1\begin{document}${\mu _{{\rm{B}}}}$\end{document}local magnetic moment, while in a range of –1.1%—2%, MoGa is in high spin state (HSS) with a 3\begin{document}${\mu _{{\rm{B}}}}$\end{document}moment. The magnetic interactions between MoGa and MoGa are all ferromagnetic for LSS and so is the case for HSS, although they are different in coupling intensity and mechanism. In particular, appropriate compressive strains can improve the strength of ferromagnetic coupling effectively and are favorable for the preparation of the GaSb-based diluted magnetic semiconductors with high Curie temperatures and inherent ferromagnetism. Moreover, we find that Mo can greatly improve the polarization capability of GaSb and play a vital role in forming and separating the electron-hole pairs, and thus further improving the photoelectric conversion capability for long wave photons. The energy required to absorb photons for inter-band transition of electrons decreases because of the impurity levels induced by Mo, which leads the absorption edge to be red-shifted. The optical properties of (Ga,Mo)Sb in infrared region are further enhanced by the tensile strain.
Dynamics of low energy electrons transmitting through straight glass capillary: Tilt angle dependence
Authors: Li Peng-Fei , Yuan Hua , Cheng Zi-Dong , Qian Li-Bing , Liu Zhong-Lin , Jin Bo , Ha Shuai , Zhang Hao-Wen , Wan Cheng-Liang , Cui Ying , Ma Yue , Yang Zhi-Hu , Lu Di , Reinhold Schuch , Li Ming , Zhang Hong-Qiang , Chen Xi-Meng ,   School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000, China,   School of Nuclear Technology and Chemistry & Biology, Hubei University of Science and Technology, Xianning 437100, China,   RIKEN Nishina Center, RIKEN, Wako, 351-0198, Japan,   Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000, China,   Department of Physics, University of Gothenburg, SE-41296 Gothenburg, Sweden,   Physics Department, Stockholm University, SE-10691 Stockholm, Sweden,   Institute of Electronic Engineering, China Academy of Engineering Physics, Mianyang 621900, China,   Frontiers Science Center for Rare Isotopes, Lanzhou University, Lanzhou 730000, China
Published: January 2022

It is a hot topic that using glass capillary to focus and shape the charged particle beam, for it is inexpensive and simple. There are the cases that single glass capillaries are used to make the microbeam of the positive ions. When it comes to electrons, their transmitting through insulating capillaries is complex and the attempt to use the glass capillary to produce electron beams in the size of micrometer needs further exploring.

In this paper, the charging-up process of the 900-eV electrons transmitting through a glass capillary with the grounded conductive-coated outer surface is reported. Two-dimensional angular distributions of the transmitted electrons and their time evolutions are measured for the cases of various tilt angles of glass tube. It is found that there are a considerable number of transmitted electrons at the tilt angle exceeding the geometrical opening angle (1°) of the glass tube. The intensity of transmitted electrons for large tilt angle (i.e. –1.15°) can be considered as first falling to zero, then keeping zero for a long time, finally rising to a certain stable value. Correspondingly, the angular distribution center experiences moving towards negative-positive-negative-settled. The energy losses are measured for various tilt angles. The larger the tilt angles, the larger the energy loss of transmitted electrons is. To better understand the physics behind the observed phenomena, the simulations of the energy loss for transmitted electrons at various tilt angles are performed by the Monte Carlo method. The comparation between the simulated energy losses and the measured energy losses shows that the experimental results are well explained by multiple deflections from the wall.
Spin transport characteristics and photoelectric properties of magnetic semiconductor NiBr2 monolayer
Authors: Wang He-Yan , Gao Yi-Fan , Liao Jia-Bao , Chen Jun-Cai , Li Yi-Lian , Wu Yi , Xu Guo-Liang , An Yi-Peng ,   School of Physics, Henan Normal University, Xinxiang 453007, China
Published: January 2022

Magnetic semiconductor materials have potential applications in spintronic devices. In this work, some nano-device structures based on the magnetic semiconductor NiBr2 monolayer (NiBr2-ML) are designed, their spin-resolved transport and photoelectric properties are studied by using density functional theory combined with non-equilibrium Green’s function method. The results show that both the NiBr2-ML PN-junction diodes and sub-3 nanometer PIN-junction field-effect transistors (FETs) exhibit the significant rectification and spin filtering effects in either the armchair or the zigzag direction. The gates can obviously tune the electron transmission of the PIN-junction FETs. The current is significantly suppressed with the increase of gate voltage. In addition, NiBr2-ML has a strong response to the blue and green light, thus its phototransistor can generate a strong photocurrent under the irradiation of blue and green light. The research results in this paper reveal the multifunctional characteristics of NiBr2-ML, which provides an important reference for the application of nickel-based dihalides in semiconductor spintronic devices and optoelectronic devices.
LRET-derived HADDOCK structural models describe the conformational heterogeneity required for DNA cleavage by the Mre11-Rad50 DNA damage repair complex
Authors: Canny Marella D , Latham Michael P
Published: January 2022

The Mre11-Rad50-Nbs1 protein complex is one of the first responders to DNA double-strand breaks. Studies have shown that the catalytic activities of the evolutionarily conserved Mre11-Rad50 (MR) core complex depend on an ATP-dependent global conformational change that takes the macromolecule from an open, extended structure in the absence of ATP to a closed, globular structure when ATP is bound. We have previously identified an additional ‘partially open’ conformation using luminescence resonance energy transfer (LRET) experiments. Here, a combination of LRET and the molecular docking program HADDOCK was used to further investigate this partially open state and identify three conformations of MR in solution: closed, partially open, and open, which are in addition to the extended, apo conformation. Mutants disrupting specific Mre11-Rad50 interactions within each conformation were used in nuclease activity assays on a variety of DNA substrates to help put the three states into a functional perspective. LRET data collected on MR bound to DNA demonstrate that the three conformations also exist when nuclease substrates are bound. These models were further supported with small-angle X-ray scattering data, which corroborate the presence of multiple states in solution. Together, the data suggest a mechanism for the nuclease activity of the MR complex along the DNA.
Elemental Analysis of Natal Teeth in a Monoidentical Twin using Scanning Electron Microscopy and Energy Dispersive X-ray Spectroscopy- A Case Report
Authors: Sadaksharam Jayachandran , Vimalesan Vetriselvi , Priya Sophia Jeba
Published: January 2022

Dental eruption is a normal physiological process that begins with eruption of primary lower central incisors when a child is six- month-old. Natal teeth are teeth present at birth while neonatal teeth are teeth that erupt within the first month of life. Primary teeth erupting prematurely are referred to as congenital teeth, predeciduous teeth, foetal teeth, and dentitia praecox. The exact aetiology is not known. Natal teeth are three times more common than neonatal teeth. However, natal or neonatal teeth is quite rare with incidence of 1:1000 to 1:30,000 which usually erupts during birth or within one month. This case reports a 24-day-old male neonate with two teeth in the mandibular alveolar region. Since one of the teeth were immature and hypermobile, it was planned for removal fearing aspiration. The extracted natal tooth was quantitatively and qualitatively assessed for the elements present in it by Energy Dispersive X-Ray Spectroscopy (EDX) and Scanning Electron Microscopy (SEM) at the level of middle third, both on the internal and external surfaces. Carbon and oxygen were predominantly present in natal teeth when compared to permanent teeth, which mainly composed of calcium and phosphorus. The natal tooth caused mild problem in feeding, as it was mobile. So, it was extracted to avoid aspiration. The aim of this case report is to discuss a rare case of occurrence of two natal teeth in one of the premature monoidentical twins (male babies) and also to analyse the elemental components present in the natal tooth using SEM and EDX.
The Impact of Financial Capability in Managing Income and Expenditure on Consumer Financial Satisfaction: Evidence from the USA
Authors: Chen Fuzhong , Cheng Zhang Danqing
Published: January 2022

Using the survey data of the National Financial Capability Study in 2018, this study aims to provide empirical insight into the impact of financial capability in managing income and expenditure (MIE) on consumer financial satisfaction. To produce more accurate results, the approach of the ordered logit regression is utilized. The results suggest a positive association between financial capability in MIE and consumer financial satisfaction, implying that consumers who can manage their spending within income tend to enjoy a higher level of satisfaction under current financial conditions. In addition, when an ordered probit regression is utilized, and the outliers of income and the heterogeneity of consumers’ annual income are taken into account, the results remain unchanged. Moreover, this study also verifies the role of perceived mathematical capability as a moderator. Hence, the findings enable policymakers and consumer educators to formulate effective measures to enhance consumer financial capability in MIE.
In vitro Anti-inflammatory Activity of Endemic Artocarpus nobilis Thw Found in Sri Lanka
Authors: Senadeera S. P. N. N. , Fernando K. S. K. , Wickramasekara W. L. L. N. , Fernando M. Y. S. , Ranaweera C. B. , Rajapaksha Weranga , Silva A. R. N.
Published: January 2022

Aims: To investigate in vitro anti-inflammatory activity of aqueous, methanol, dichloromethane, and hexane extracts of Artocarpus nobilis Thw. leaves and stem bark using heat-induced protein denaturation test (egg albumin denaturation).

Methodology: About 500 g of each matured, fully expanded leaves and stem bark of Artocarpus nobilis were collected, washed and air-dried. Leaves and stem bark parts were grounded to obtain a fine powder material. The extractions were obtained using the decoction extraction method. Anti-inflammatory activity was evaluated using the heat-induced egg albumin denaturation method. Diclofenac sodium was used as the positive control.

Results: Results showed that Diclofenac sodium exhibited an IC50 value of 243.4 µg/mL and methanolic stem bark extract had an IC50 Value of 249.8 µg/mL) for heat-induced egg albumin protein denaturation test. R² and P values for aqueous, methanol, dichloromethane, and hexane extracts indicated that there was a strong, statistically significant correlation (P<0.01) between concentration and percentage inhibition for all extracts of A. nobilis Thw. However, methanol stem bark extract demonstrated the highest efficacy and potency with similar activity observed for the positive control Diclofenac sodium.

Conclusion: Methanol stem bark extract of Artocarpus nobilis Thw. have marked in vitro anti-inflammatory activity. Further studies are necessary to determine the mechanism and the active constituents responsible for the anti-inflammatory activity of the plant parts of Artocarpus nobilis Thw.
Technical note: Evaluation of a silicone‐based custom bolus for radiation therapy of a superficial pelvic tumor
Authors: Wang Karissa M. , Rickards Amanda J. , Bingham Trevor , Tward Jonathan D. , Price Ryan G.
Published: January 2022

Purpose

Use of standard‐of‐care radiation therapy boluses may result in air‐gaps between the target surface and bolus, as they may not adequately conform to each patient's unique topography. Such air‐gaps can be particularly problematic in cases of superficial pelvic tumor radiation, as the density variation may result in the radiation delivered to the target site being inconsistent with the prescribed dose. To increase bolus fit and thereby dose predictability and homogeneity, we designed and produced a custom silicone bolus for evaluation against the clinical standard.

Methods

A custom bolus was created for the pelvic regions of both an anthropomorphic phantom and a pelvic patient with squamous cell carcinoma of the penile shaft. Molds were designed using computed tomography (CT) scans, then 3D‐printed and cast with silicone rubber to yield the boluses. Air‐gap measurements were performed on custom and standard‐of‐care Superflab gel sheet boluses by analyzing total volume between the bolus and target surface, as measured from CT scans. Therapeutic doses of radiation were delivered to both boluses. Radiation dose was measured and compared to the expected dose using nine optically stimulated luminescent dosimeters (OSLDs) placed on the phantom.

Results

Mean air‐gap volume between the bolus and phantom was decreased from 314 ± 141 cm3 with the standard bolus to 4.56 ± 1.59 cm3 using the custom device. In the case of the on‐treatment patient, air‐gap volume was reduced from 169 cm3 with the standard bolus to 46.1 cm3 with the custom. Dosimetry testing revealed that the mean absolute difference between expected and received doses was 5.69%±4.56% (15.1% maximum) for the standard bolus and 1.91%±1.31% (3.51% maximum) for the custom device. Areas of greater dose difference corresponded to areas of larger air‐gap.

Conclusions

The custom bolus reduced air‐gap and increased predictability of radiation dose delivered compared to the standard bolus. The custom bolus could increase the certainty of prescribed dose‐delivery of radiation therapy for superficial tumors.
Manipulation of New Married Edge‐Adjacent Fe2N5 Catalysts and Identification of Active Species for Oxygen Reduction in Wide pH Range
Authors: Wang Xingkun , Chen Zongkun , Han Zhongkang , Gai Huiyu , Zhou Jian , Wang Yurou , Cui Peixin , Ge Junjie , Xing Wei , Zheng Xusheng , Huang Minghua , Jiang Heqing
Published: January 2022

Transition metal‐nitrogen‐carbon‐based catalysts (M‐N‐C) serve as promising alternatives for oxygen reduction reaction (ORR). However, their synthesis generally involves complex pyrolysis reactions, resulting in their high structure heterogeneity and consequently making it difficult to distinguish the catalytic active sites. Herein, atomically dispersed Fe2 on the hollow carbon spheres are synthesized as the model for insight into the active sites at the atomic level. By virtue of the systematic SCN− poisoning experiments and theoretical calculations, the authors find that both edge‐adjacent Fe2N5 and graphitic N sites exhibit the pH‐dependent poisoning kinetics, beyond a simple and traditional “SCN− poisoning M‐Nx sites” notion, helping us to discriminate the edge‐adjacent Fe2N5 structure and graphitic N species as the bi‐active ORR sites in a wide pH range. Moreover, this is the first work to synthesize the new married edge‐adjacent Fe2N5 structure in an experimental aspect. The original work offers an important insight to pinpoint the active species in different pH media, which can broaden the fundamental understanding to design M‐N‐C and metal‐free‐carbon‐based catalysts for ORR.
Ultrathin DDR Films with Exceptionally High CO2 Flux and Uniformly Adjustable Orientations
Authors: Zhou Ming , Yu Liang , Hedlund Jonas
Published: January 2022

Thin and oriented zeolite films are important for advanced separations, catalysis, and sensing. Strategies for tailoring zeolites for applications include controlling their crystal size, shape, and orientation. Here, three siliceous DDR zeolite ultrathin films with different orientations achieved by homoepitaxial growth from 60 nm‐sized seed particles are reported. The 0.5 µm thick membrane shows a separation selectivity of 400 for CO2–CH4 mixtures and CO2 permeance of 25 × 10‐7 mol m‐2 s‐1 Pa‐1 at 20 °C and 1 bar, leading to a record‐high performance among all reported DDR membranes. Furthermore, the seed nanoparticles are grown into mono‐dispersed DDR sub‐micron crystals with trigonal and tabular habits. These crystals are assembled in monolayers for the growth of ultrathin and uniformly (h0h)‐oriented and c‐oriented films with maximum surface pore diameter of 0.365 and 0.263 nm, respectively, by using the 1‐adamantanamine template in fluoride medium. The novel strategy not only provides high‐performance membrane candidates for industrial CO2 separation, but also inspires interfacial engineering, pore size, and orientation controlling for other microporous crystals, and their membranes.
2D Functional Minerals as Sustainable Materials for Magneto‐Optics
Authors: Huang Ziyang , Lan Tianshu , Dai Lixin , Zhao Xueting , Wang Zhongyue , Zhang Zehao , Li Bing , Li Jialiang , Liu Jingao , Ding Baofu , Geim Andre K. , Cheng Hui‐Ming , Liu Bilu
Published: January 2022

Liquid crystal devices using organic molecules are nowadays widely used to modulate transmitted light, but this technology still suffers from relatively weak response, high cost, toxicity and environmental concerns, and cannot fully meet the demand of future sustainable society. Here, an alternative approach to color‐tunable optical devices, which is based on sustainable inorganic liquid crystals derived from 2D mineral materials abundant in nature, is described. The prototypical 2D mineral of vermiculite is massively produced by a green method, possessing size‐to‐thickness aspect ratios of >103, in‐plane magnetization of >10 emu g−1, and an optical bandgap of >3 eV. These characteristics endow 2D vermiculite with sensitive magneto‐birefringence response, been several orders of magnitude larger than organic counterparts, as well as capability of broad‐spectrum modulation. The finding consequently permits the fabrication of various magnetochromic or mechanochromic devices with low or even zero‐energy consumption during operation. This work creates opportunities for the application of sustainable materials in advanced optics.
Synthesis of C4‐Acyl‐tetrofuranosides and C5‐Acyl‐pentopyranosides Enabled by the Liebeskind‐Srogl Cross‐Coupling Reaction
Authors: Xu Linhua , Hou Zijiao , Ma Xian , Ma Yixuan , Wang Jianjun , Zhang Xinxin , Wang Peng , Li Ming
Published: January 2022

An efficient and versatile protocol for the synthesis of C4‐acyl‐tetrofuranosides and C5‐acyl‐pentopyranosides has been established via the Liebeskind‐Srogl cross‐coupling reaction of various uronic acid‐derived thioesters and a wide range of arylboronic acids. Distinctive features of this transformation include mild reaction conditions, broad substrate scopes, impressive compatibility with a wide array of functional groups, and retention of stereochemical configurations. Dapagliflozin‐derived thioester is also amenable to this transformation, demonstrating the potential of this strategy in the late‐stage modifications of the active pharmaceuticals.
Is amyloid involved in acute neuroinflammation? A CSF analysis in encephalitis
Authors: Padovani Alessandro , Canale Antonio , Schiavon Lorenzo , Masciocchi Stefano , Imarisio Alberto , Risi Barbara , Bonzi Giulio , De Giuli Valeria , Di Luca Monica , Ashton Nicholas J. , Blennow Kaj , Zetterberg Henrik , Pilotto Andrea
Published: January 2022

Introduction

Several investigations have argued for a strong relationship between neuroinflammation and amyloid metabolism but it is still unclear whether inflammation exerts a pro‐amyloidogenic effect, amplifies the neurotoxic effect of amyloid, or is protective.

Methods

Forty‐two patients with acute encephalitis (ENC) and 18 controls underwent an extended cerebrospinal fluid (CSF) panel of inflammatory, amyloid (Aβ40, 42, and 38, sAPP‐α, sAPP‐β), glial, and neuronal biomarkers. Linear and non‐linear correlations between CSF biomarkers were evaluated studying conditional independence relationships.

Results

CSF levels of inflammatory cytokines and neuronal/glial markers were higher in ENC compared to controls, whereas the levels of amyloid‐related markers did not differ. Inflammatory markers were not associated with amyloid markers but exhibited a correlation with glial and neuronal markers in conditional independence analysis.

Discussion

By an extensive CSF biomarkers analysis, this study showed that an acute neuroinflammation state, which is associated with glial activation and neuronal damage, does not influence amyloid homeostasis.
Preparation and examination of a scaffold based on hydroxylated polyphosphazene for tissue engineering: In vitro and in vivo studies
Authors: Gholivand Khodayar , Alavinasab Ardebili Seyed Alireza , Mohammadpour Mahnaz , Eshaghi Malekshah Rahime , Hasannia Sadegh , Onagh Bahman
Published: January 2022

In the current study, we introduced a new water‐soluble polyphosphazene containing hydroxyl groups, poly(propyleneglycol)phosphazene (PPGP). The PPGP is converted to PPGP‐TiO2 cross‐linked polymer via hydrothermal reaction with Ti(OBu)4. The properties of the obtained polymers were assessed by 1H‐NMR, 31P‐NMR, Fourier transform infrared spectroscopy (FTIR) and X‐ray diffraction (XRD) spectroscopic methods, thermal techniques (DSC‐TGA), FESEM–EDX investigations, cyclic voltammetry (CV) and Zeta potential measurements. In order to predict PPGP‐TiO2 cross‐linked polymer structure and obtain HOMO–LUMO maps and COMSO sigma profile, quantum calculations were used by DMol3 module based on Dispersion‐corrected density functional theory (DFT‐D) in Materials Studio Software2017. As a common bone substitute material, hydroxyapatite (HAp) was prepared using a modified method and closely characterized by appropriate analysis. The PPGP cytotoxicity was examined using C2C12 and L929 cell lines and Escherichia coli. The C2C12 differentiation using PPGP (as media supplement) was quantified by alkaline phosphatase activity assay. The biocompatibility of PPGP‐TiO2 was compared with HAp using mentioned cell lines and acute inflammatory testing. The results demonstrated that cell proliferation and osteoblastic differentiation increased in presence of PPGP. Both in vitro and in vivo evidence indicated that the novel scaffold had significant viability, exhibiting notable adaptability with its surrounding living tissue.
Preparation and characterization of damage indication and self‐healing microcapsules for surface micro‐cracks in mortar coating
Authors: Zhang Haohui , Wang Qing , Li Yao , Mao Junheng , Zheng Xu
Published: January 2022

A mortar coating with damage indication and self‐healing properties based on microcapsules was proposed. The self‐healing microcapsules were synthesized by in‐situ polymerization method using urea formaldehyde resin as wall material and epoxy resin as core material. The damage‐indicator microcapsules with leuco dye crystal violet lactone as core material and polymethyl methacrylate as wall material were fabricated by solvent evaporation method. It was confirmed that after the core material was encapsulated, the heat resistance was improved. Through the particle diameter analysis of the microcapsules fabricated at diverse emulsifier contents and stirring speeds, it can be found that the microcapsule particle size decreased with increasing the emulsifier content and stirring speed. When cracks on the surface of the mortar coating were artificially fabricated, the damage‐indicator microcapsules can effectively highlight the surface cracks in blue for further manual repairs. The cured epoxy resin was found through the scanning electron microscope observation and element detection of the crack section. This indicated that the self‐healing microcapsules can fill micro‐cracks, thereby slowing down the development speed of cement‐based material cracks. This study provides a new method to detect and self‐heal surface micro‐cracks in mortar coating.
Modulation of CD36‐mediated lipid accumulation and senescence by vitamin E analogs in monocytes and macrophages
Authors: Zingg Jean‐Marc , Stamatiou Christina , Montalto Giulia , Daunert Sylvia
Published: January 2022

The CD36/FAT scavenger receptor/fatty acids transporter regulates cellular lipid accumulation important for inflammation, atherosclerosis, lipotoxicity, and initiation of cellular senescence. Here we compared the regulatory effects of the vitamin E analogs alpha‐tocopherol (αT), alpha‐tocopheryl phosphate (αTP), and αTP/βCD (a nanocarrier complex between αTP and β‐cyclodextrin [βCD]) and investigated their regulatory effects on lipid accumulation, phagocytosis, and senescence in THP‐1 monocytes and macrophages. Both, αTP and αTP/βCD inhibited CD36 surface exposition stronger than αT leading to more pronounced CD36‐mediated events such as inhibition of DiI‐labeled oxLDL uptake, phagocytosis of fluorescent Staphylococcus aureus bioparticles, and cell proliferation. When compared to βCD, the complex of αTP/βCD extracted cholesterol from cellular membranes with higher efficiency and was associated with the delivery of αTP to the cells. Interestingly, both, αTP and more so αTP/βCD inhibited lysosomal senescence‐associated beta‐galactosidase (SA‐β‐gal) activity and increased lysosomal pH, suggesting CD36‐mediated uptake into the endo‐lysosomal phagocytic compartment. Accordingly, the observed pH increase was more pronounced with αTP/βCD in macrophages whereas no significant increase occurred with αT, alpha‐tocopheryl acetate (αTA) or βCD. In contrast to αT and αTA, the αTP molecule is di‐anionic at neutral pH, but upon moving into the acidic endo‐lysosomal compartment becomes protonated and thus is acting as a base. Moreover, it is expected to be retained in lysosomes since it still carries one negative charge, similar to lysosomotropic drugs. Thus, treatment with αTP or αTP/βCD and/or inhibition of conversion of αTP to αT as it occurs in aged cells may counteract CD36‐mediated overlapping inflammatory, senescent, and atherosclerotic events.
Pool size measurements improve precision of flux estimates but increase sensitivity to unmodeled reactions outside the core network in isotopically nonstationary metabolic flux analysis (INST‐MFA)
Authors: Zheng Amy O. , Sher Anna , Fridman Daniel , Musante Cynthia J. , Young Jamey D.
Published: January 2022

Metabolic flux analysis (MFA) involves model‐based estimation of metabolic reaction rates (i.e., fluxes) and, in some cases, metabolite content (i.e., pool sizes) from experimental measurements. Applying MFA to biological data helps determine the fate of substrates and the activity of specific pathways within metabolic networks. However, reliably estimating fluxes by using simplified “core” models to predict the dynamics of larger metabolic networks remains a challenge. One point of uncertainty relates to the advantages and potential pitfalls of including pool size measurements as experimental inputs for isotopically nonstationary MFA (INST‐MFA). Here, we directly assessed the role of pool sizes using various core models and simulated datasets. To investigate the effects of pool size measurements on INST‐MFA, we assessed the accuracy and precision of flux estimates obtained using different subsets of data (e.g., with or without pool size measurements) and simple network models that either matched or differed from the true network. The inclusion of pool size measurements provided incremental improvements to the precision of the flux estimates. However, adding pool size measurements increased the sensitivity of the flux solution to unmodeled reactions outside the core network. These results were confirmed using a large Escherichia coli model that is representative of realistic metabolic networks examined in MFA studies. Our findings indicate that accurate flux estimates can be obtained in the absence of pool size measurements, even when using core models that lack full network coverage. Addition of pool size measurements to INST‐MFA datasets may reveal the activity of non‐core reactions that influence the labeling dynamics and therefore necessitate network expansion in order to reconcile all available data to the model. Our findings also emphasize the key role that goodness‐of‐fit testing plays in assessing the quality of model fits obtained with INST‐MFA.
Friends or foes? A systematic literature review and meta‐analysis of the relationship between eco‐innovation and firm performance
Authors: Zheng Lu , Iatridis Konstantinos
Published: January 2022

Eco‐innovation has gained currency as an effective means of addressing corporate environmental impacts. Yet the literature is inconclusive as to how different types of eco‐innovation influence different types of firm performance. This is problematic, as practitioners and policymakers will not embrace eco‐innovation unless there is clear evidence that through its implementation companies can achieve returns, not only on their environmental performance but also on their economic, social and operational performance. This paper aims to improve our understanding of this relationship by conducting a meta‐analysis and drawing on a much broader sample than previous meta‐analytic efforts in this field. The paper analyses 569 effects based on 160 studies and more than 124,000 firms (
). Our results provide solid evidence of the positive impact eco‐innovation has on all types of firm performance but also highlight types of eco‐innovation that do not contribute to this relationship and the role moderators play in explaining discrepancies found in the literature.
Value creation in circular economy business for sustainability: A stakeholder relationship perspective
Authors: Tapaninaho Riikka , Heikkinen Anna
Published: January 2022

A circular economy (CE) requires companies to rethink their value creation and stakeholder relationships. While value creation in a CE business is typically understood from a company‐centric perspective, this article utilises stakeholder theory to conceptualise value creation as a relational, systemic activity involving multiple stakeholder relationships. We conduct a case study of the CE business development of a Finnish energy company and offer novel insights by identifying five joint value creation activities: sharing the CE story, co‐constructing knowledge for political decision‐making, developing the industry, creating local CE ecosystems and refining the business model. Additionally, we define the concept of multidimensional value, which acknowledges multifaceted, subjective stakeholder value expectations and enables the engagement of stakeholders in joint value creation activities. We conclude that the stakeholder relationship perspective on CE business value creation allows for the creation of the synergy necessary to advance CE business and sustainability.
Why are individuals over age 60 still committed as sexually violent persons?
Authors: Kahn Rachel E. , Ambroziak Gina , Mundt James C. , Keiser Kerry L. , Thornton David
Published: January 2022

Civilly committed sexually violent persons (SVPs) are a select group of individuals designated as high risk for future sexual violence. Despite risk reduction in older age, SVP programs are seeing aging client populations, with many individuals remaining committed after age 60 (60+). Recent research found a sexual recidivism rate of 7.5% for 60+ individuals released from an SVP civil commitment program. The current paper follows up by examining reasons why individuals remain committed after age 60. It compares SVPs discharged after age 60 to those who are 60+ but remain civilly committed. Results of bivariate analyses reveal older SVPs who remain committed have significantly higher actuarial risk scores and are more likely to be of minority race. Multivariate logistic regression analyses found actuarial risk scores (Static‐99R) predicted continued commitment, after controlling for other relevant variables. Barriers to community reintegration and suggestions for multi‐disciplinary case management for older SVPs are discussed.
Design, Synthesis, and Biological Activity of Chalcone Analogs Containing 4‐Phenylquinolin and Benzohydrazide
Authors: Tan Qiu‐Wan , He Li‐Ya , Zhang Shan‐Shan , He Zhi‐Wen , Liu Wei‐Hua , Zhang Li , Guan Li‐Ping , Wang Si‐Hong
Published: January 2022

A series of chalcone derivatives (3a–3m) containing 4‐phenylquinoline and benzohydrazide were designed and synthesized, and their anti‐inflammatory, analgesic, and antidepressant activities were evaluated. Using the classic antidepressant model, except for compounds 3a and 3d, 11 compounds all showed certain antidepressant activity at a dose of 100 mg/kg, among which compounds 3f, 3h, and 3m showed good antidepressant activity (inhibition rate, respectively 63.0 %, 73.2 %, and 76.4 %), which was equivalent to the positive control fluoxetine (inhibition rate of 70.0 %). Secondly, the inhibitory activity of these compounds on mouse MAOA was evaluated. At 10 mM, compounds 3f and 3j showed a certain selective inhibitory effect on mouse MAOA, while compounds 3b, 3d, 3g, 3i, and 3m had a good inhibitory effect on mouse MAOA (inhibition rate is 42.3–71.4 %). The mouse ear edema model was used to evaluate the anti‐inflammatory activity of compounds 3a–3m. At 30 mg/kg, compounds 3b, 3c, 3e, 3f, 3g, and 3m showed certain anti‐inflammatory effects (inhibition rate of 51.5–99.9 %), which was equivalent to the positive control indomethacin (inhibition rate of 69.7 %). Results of the acetic acid‐induced abdominal writhing test showed that, at 30 mg/kg, excepted for compounds 3a, 3b and 3d, all the other 10 compounds can show certain analgesic activity (inhibition rate 67–99.9 %). The use of Auto dock Vina (simina) to simulate molecular target docking shows that the development of quinoline and benzohydrazide groups is of great significance to MAOA inhibitors.
A New Lignan and C(6)‐Oxygenated Flavonoids from the Inflorescence of Ambrosia artemisiifolia
Authors: Zeng Zhi , Cheng Dan , Lai Meng‐Meng , He Hua‐Liang , Qiu Lin , Xue Jin , Li You‐Zhi , Ding Wen‐Bing
Published: January 2022

A new lignan (4,4′,5′‐trihydroxy‐5,3′‐dimethoxy‐3‐O‐9′,2‐(7′R)‐lignan, 1) and eight C(6)‐oxygenated flavonoids (2–9), including a newly identified flavonoid (7,3’,4’‐trihydroxy‐3,5,6‐trimethoxyflavone, 2), were isolated from the inflorescence of Ambrosia artemisiifolia L. The structures of these isolates were determined using extensive spectroscopic analyses and comparison with data previously reported in the literature. The absolute configuration of compound 1 was established using electronic circular dichroism (ECD) spectrum. All the flavonoids (2–9) showed inhibitory effects on LPS‐induced NO production in RAW264.7 cells, with the inhibition rate ranging from 24.51 % to 69.82 % at 50 μM. The in vitro cytotoxicity study showed that compounds 3–8 have a 60 % inhibition rate against SMMC‐7721 at a concentration of 40 μM, while compounds 5 and 8 also exhibited inhibitory activity against HL‐60 at 40 μM with the inhibition rate of 83.36 % and 52.01 %, respectively.
Engineering CYP153AM.aq to Oxyfunctionalize its Inhibitor Dodecylamine Using a LC/MS Based Rapid Flow Analysis Screening
Authors: Rapp Lea R. , Marques Sérgio M. , Nebel Bernd , Damborsky Jiri , Hauer Bernhard
Published: January 2022

The catalytic space of the P450 monooxygenase CYP153AM.aq was opened from a terminal (ω‐) fatty acid hydroxylase to a catalyst capable of performing ω‐hydroxylation of dodecylamine, which is a potent inhibitor for the wild‐type enzyme. A simple screening method named Rapid‐flow Analysis of Product Peaks (RAPP) was established and applied to measure saturation libraries directly from a 96‐deepwell plate in 36 seconds per sample. The obtained variants are less inhibited by the amine, although concurrently show less affinity towards the acid. Molecular modelling and molecular dynamics simulations showed significant effects of the mutations on the substrate tunnel architectures.
Towards a Local In situ X‐ray Nano Computed Tomography under Realistic Cycling Conditions for Battery Research
Authors: Su Zeliang , Nguyen Tuan‐Tu , Le Bourlot Christophe , Cadiou François , Jamali Arash , De Andrade Vincent , Franco Alejandro A. , Demortière Arnaud
Published: January 2022

Performing high resolution 3D imaging with transmission X‐ray microscopy (TXM) in an in situ battery system is extremely challenging. We show herein a method to conduct an in situ nano‐X ray Computed Tomography (nano‐XCT) experiment assisted by the in‐line phase contrast technique for low Z elements in batteries. A carbon‐based O2‐cathode of Li‐O2 battery was used for this investigation and the time‐resolved 3D volumes were obtained and successfully reconstructed. Our approach is to perform a nano‐XCT by zooming directly into a laser‐shaped area not larger than 50 μm in an in‐house in situ cell. The rotation axis of the tomography of this cell being parallel to the plan of the electrode, a specific method of preparing the electrode by laser is required. This method is essential in this approach, which allows to minimize the dead angles, align the beam and adjust the focus plan. We have demonstrated in situ observation of the difficult light species, lithium peroxide, in a lithium‐oxygen battery. The time‐resolved 3D volumes obtained showed a force pushing the analyzed area out of the field of view. This is due to the thickening of the lithium foil during the electrochemical process. Although X‐ray Computed‐Tomography (XCT) is often considered non‐invasive and beneficial for the development of an in situ experiment for battery research, here we discuss the effect of the focused beam at the nanoscale with a focusing X‐ray beam. The current contribution opens possibilities of characterization of battery materials by local in situ nano‐XCT under realistic cycling conditions.