bluuebunny/crossref_metadata_2025 huggingface dataset:
Persulfate-based Advanced Oxidation Processes in Environmental Remediation: Theoretical Chemistry Study
Authors: Jing Binghua , Zhou Junhui , Ao Zhimin
Published: March 2022

Persulfate-based advanced oxidation processes (P-AOPs) utilizing strong reactive oxygen species (SO4˙−, ˙OH, or 1O2) from persulfate activation, could be used to degrade highly resistant and toxic organic contaminants. In order to investigate the performance and mechanism of persulfate activation for pollutant degradation on P-AOPs, various techniques have been utilized in experiments. However, it is challenging to elucidate the inner mechanism and explore the essential reasons at the electronic and atomic levels. Theoretical chemistry studies are an effective supplement to experimental results to manifest the reaction mechanism. In addition, they have an excellent ability to systematically predict the experimental results, and guide the design of catalysts. Currently, there are no systemic and comprehensive evaluation criteria on theoretical chemistry studies to guide and estimate the performance and mechanism of P-AOPs for environmental remediation. In this chapter, the evaluation criteria from the view of theoretical chemistry are summarized systematically in the following three areas: (1) the persulfate activation process; (2) pollutant degradation process; and (3) influencing factors. The criteria are guidable, comprehensive, and reasonable to evaluate the performance and understand the mechanism of P-AOPs at the electronic and atomic levels. This chapter has practical significance for the development and application of theoretical chemistry in environmental remediation.
Persulfate Application for Landfill Leachate Treatment: Current Status and Challenges
Authors: Ghanbari Farshid , Giannakis Stefanos , Samoili Sofia
Published: March 2022

Landfill Leachate (LL) is considered an important environmental burden, being a high-strength wastewater with high organic load, considerable toxicity, dark color, as well as high concentrations of ammonium and dissolved solids. These characteristics render LL a difficult effluent to treat. Nowadays, the application of persulfate, as a novel treatment strategy, is increasing in the treatment of contaminated waters. LL has recently received great attention from researchers as a challenge for the performance evaluation of persulfate-based processes. This chapter focuses on describing LL treatment by persulfate-based processes as a hazardous wastewater. LL characterization and persulfate chemistry are introduced in the current chapter. Several persulfate activation methods and their applications on LL treatment have been discussed in detail. The following sections present LL persulfate-mediated treatment by different activation methods. (I) Homogeneous persulfate activation by transition metals, (II) heterogeneous persulfate activation by transition metals, (III) persulfate activation by high energy input (microwaves, heat, ultraviolet, and ultrasound), and (IV) other persulfate activation methods. Furthermore, a reflection on the current status, literature, and challenges of persulfate application for LL treatment is included. The topics included in this chapter can serve as a comprehensive guide for environmental engineers, in the successful development of persulfate application for LL treatment.
Autocatalytic oncotherapy nanosystem with glucose depletion for the cascade amplification of hypoxia-activated chemotherapy and H2O2-dependent chemodynamic therapy
Authors: Hu Yao , Bai Song , Fan Xingyu , Zhou Fangfang , Chen Botao , Tan Songwen , Xu Hui , Pan Anqiang , Liang Shuquan , He Yongju
Published: March 2022

An autocatalytic nanosystem with glucose depletion for triple synergetic cancer starvation therapy, cascade amplified hypoxia-activated chemotherapy and enhanced H2O2-dependent chemodynamic therapy.
Dietary phenolic-type Nrf2-activators: implications in the control of toxin-induced hepatic disorders
Authors: Zhou Qian , Zhang Nana , Hu Tingyan , Xu Hui , Duan Xinxing , Liu Bin , Chen Feng , Wang Mingfu
Published: March 2022

Numerous studies have exemplified the importance of nuclear factor erythroid 2-related factor 2 (Nrf2) activation in the alleviation of toxin-induced hepatic disorders primarily through eliminating oxidative stress.
Ready-to-use binder-free Co(OH)2 plates@porous rGO layers/Ni foam electrode for high-performance supercapacitors
Authors: Aghazadeh Mustafa , Rad Hamzeh Forati , Cheraghali Ramin
Published: March 2022

Fabrication mechanism of a ready-to-use Co(OH)2@p-rGO/NF electrode: (a) base generation step, (b) electrophoretic deposition of rGO onto NF and (c) chemical formation of Co(OH)2 on rGO.
Pu(iii) and Cm(iii) in the presence of EDTA: aqueous speciation, redox behavior, and the impact of Ca(ii)
Authors: DiBlasi Nicole A. , Tasi Agost G. , Trumm Michael , Schnurr Andreas , Gaona Xavier , Fellhauer David , Dardenne Kathy , Rothe Jörg , Reed Donald T. , Hixon Amy E. , Altmaier Marcus
Published: March 2022

Combined advanced spectroscopy and solubility studies provide evidence for the formation of novel calcium-containing and hydrolyzed (Cm,Pu)(iii)–EDTA complex(es).
Recent advances in the 3D printing of electrically conductive hydrogels for flexible electronics
Authors: Yang Ruxue , Chen Xiyue , Zheng Yi , Chen Kaiqi , Zeng Weisheng , Wu Xin
Published: March 2022

This paper reviews the research progress of conductive hydrogel 3D printing for flexible electronics, with emphasis on 3D printing methods, classification and materials synthesis methods, and application fields.
Manganese-catalyzed transfer semihydrogenation of internal alkynes to E-alkenes with iPrOH as hydrogen source
Authors: Torres-Calis Antonio , García Juventino J.
Published: March 2022

The Mn-catalyzed transfer semihydrogenation of internal alkynes to E-alkenes is reported herein, along with Mn-catalyzed hydration of α-keto alkynes. Mechanistic studies displayed an asymmetrical Mn-hydride species performing the catalytic turnover.
Reversible mechanochromic studies on AIE-inspired smart materials and their applications in HCHO sensing
Authors: Li Huijun , Wang Yanan , Xu Zhouqing
Published: March 2022

A TPE-based smart material {[Zn4(TCPE)(HTCPE)(DMA)3(OH)(H2O)2]·2DMA·2H2O}n (HPU-21) was obtained, which showed responses to pressure, temperature, and solvents and could be applied to high-sensitivity formaldehyde sensing.
Comparison between DySc2N@C80 and Dy2ScN@C80 single-molecule magnetic metallofullerenes encapsulated in single-wall carbon nanotubes
Authors: Ito Satoshi , Nakanishi Ryo , Katoh Keiichi , Breedlove Brian K. , Sato Tetsu , Li Zhao-Yang , Horii Yoji , Wakizaka Masanori , Yamashita Masahiro
Published: March 2022

The quantum tunneling mechanism of DySc2N@C80 and Dy2ScN@C80 in single-walled carbon nanotubes was revealed to be tuned in opposite ways.
Small variations in reaction conditions tune carbon dot fluorescence
Authors: Garcia-Millan Teodoro , Swift Thomas A. , Morgan David J. , Harniman Robert L. , Masheder Benjamin , Hughes Stephen , Davis Sean A. , Oliver Thomas A. A. , Galan M. Carmen
Published: March 2022

Using the same starting materials but modifying the stoichiometry, we show that small variation in reaction conditions leads to changes in fluorescent behaviour of carbon dots, especially in the selective enhancement of overlapped fluorescence bands.
Catalytic rearrangements of onium ylides in aromatic systems
Authors: Nair Vaishnavi N. , Tambar Uttam K.
Published: March 2022

A review of recent advances in catalyst-controlled [2,3]- and [1,2]-rearrangements of onium ylides in aromatic systems.
Amide phosphonium salt catalyzed enantioselective Mannich addition of isoxazole-based nucleophiles to β,γ-alkynyl-α-ketimino esters
Authors: Gu Congzheng , Tian Guangzheng , Yin Qingyu , Wu Fan , Li Zhiming , Wu Xiaoyu
Published: March 2022

Using 5 mol% of a phosphonium salt catalyst derived from a chiral amino alcohol, the enantioselective Mannich addition of 3,5-disubstituted 4-nitroisoxazoles to β,γ-alkynyl-α-ketimino esters has been developed.
HOAc catalyzed three-component reaction for the synthesis of 3,3′-(arylmethylene)bis(1H-indoles)
Authors: Li Heng , Zhu Yan , Jiang Cong , Wei Jia , Liu Ping , Sun Peipei
Published: March 2022

3,3′-(Arylmethylene)bis(1H-indoles) were synthesized via a HOAc catalyzed three-component reaction of 2-(arylethynyl)anilines with arylaldehydes under transition-metal-free conditions.
Preparation and properties of a novel poly(lactic-acid)-based thermoplastic vulcanizate from both experiments and simulations
Authors: Li Xue , Kang Hailan , Luo Qiulan , Shen Jianxiang
Published: March 2022

A novel bio-based thermoplastic vulcanizate (TPV) material consisting of poly(lactic acid) (PLA) and a novel polymeric slide ring material (SeRM) was fabricated via isocyanate-induced dynamic vulcanization.
Experimental and theoretical study of ZrMo-KIT-6 solid acid catalyst with abundant Brønsted acid sites
Authors: Mu Jinglin , Liang Manfen , Huang Hong , Meng Jian , Xu Leilei , Song Zhiling , Wu Mei , Miao Zhichao , Zhuo Shuping , Zhou Jin
Published: March 2022

Synergistic effect of Zr and Mo species in the formation of Brønsted acid sites is investigated by experimental and theoretical study.
Towards sustainable electrochemical energy storage: solution-based processing of polyquinone composites
Authors: Illera-Perozo Danny , Gomez-Vega Humberto , Ram Manoj
Published: March 2022

A valid one-pot, low temperature and readily scalable aqueous processing route towards sustainable production of organic electrode-based battery/capacitive systems.
Highly efficient construction of an oxa-[3.2.1]octane-embedded 5–7–6 tricyclic carbon skeleton and ring-opening of the bridged ring via C–O bond cleavage
Authors: Cui Yi , Lv Jiayuan , Song Tianhang , Ren Jun , Wang Zhongwen
Published: March 2022

We reported a highly efficient construction of an oxa-[3.2.1]octane-embedded 5–7–6 tricyclic carbon skeleton with a full match of the substituents and stereochemistries on C-4/-6/-7/-10 with those in the rhamnofolane/tigliane/daphnane diterpenoids.
All-atom simulations of bent liquid crystal dimers: the twist-bend nematic phase and insights into conformational chirality
Authors: Yu Gary , Wilson Mark Richard
Published: March 2022

Atomistic simulations of the liquid crystal dimer, CB7CB, identify the twist-bend nematic phase, show phase transitions to the nematic and isotropic phases, and probe the molecular structure and conformational chirality of molecules in these phases.
Microbiota transplantation in portal hypertension: promises and pitfalls
Authors: Mitten Emilie K. , Baffy György
Published: March 2022

In this commentary, we discuss new findings indicating that microbiota transplantation has favorable impact on portal hypertension (PH) in the experimental model of cirrhosis induced by bile duct ligation (BDL) (Huang et al.; Clin Sci (Lond) (2021) 135(24): 2709–2728, doi: 10.1042/CS20210602). Sinusoidal PH is an ominous outcome of advanced chronic liver disease, characterized by increased intrahepatic vascular resistance (IHVR), splanchnic hyperemia, and the development of portosystemic collaterals. In the work of Huang et al., microbiota transplantation not only alleviated splanchnic hyperdynamic circulation by improving vascular responsiveness and decreasing mesenteric angiogenesis, but also reduced blood flow in portosystemic collaterals. Surprisingly, however, microbiota transplantation had no effect on intrahepatic vasoconstriction in this experimental model. We discuss these observations in the context of recent literature showing that manipulation of the gut microbiota (either by transplantation or through the use of probiotics) may improve IHVR, which is one of the earliest abnormalities in the pathogenesis of sinusoidal PH. Further research is needed to explore the specific molecular and cellular targets associated with the correction of dysbiosis in liver disease.
Survey of Orion Disks with ALMA (SODA)
Authors: van Terwisga S. E. , Hacar A. , van Dishoeck E. F. , Oonk R. , Portegies Zwart S.
Published: March 2022

Context. Surveys of protoplanetary disks in nearby star-forming regions (SFRs) have provided important information on their demographics. However, due to their sample sizes, these surveys cannot be used to study how disk properties vary with the environment.

Aims. We conduct a survey of the unresolved millimeter continuum emission of 873 protoplanetary disks identified by Spitzer in the L1641 and L1647 regions of the Orion A cloud. This is the largest such survey yet, allowing us to identify even weak trends in the median disk mass as a function of position in the cloud and cluster membership. The sample detection rates and median masses are also compared to those of nearby (<300 pc) SFRs.

Methods. The sample was observed with the Atacama Large Millimeter/submillimeter Array (ALMA) at 225 GHz, with a median rms of 0.08 mJy beam−1, or 1.5 M⊕. The data were reduced and imaged using an innovative parallel data processing approach.

Results. We detected 58% (502/873) of the observed disks. This includes 20 disks with dust masses >100 M⊕, and two objects associated with extended dust emission. By fitting a log-normal distribution to the data, we infer a median disk dust mass in the full sample of 2.2−0.2+0.2 M⊕. In L1641 and L1647, median dust masses are 2.1−0.2+0.2M⊕ and 2.6−0.5+0.4M⊕, respectively.

Conclusions. The disk mass distribution of the full sample is similar to that of nearby low-mass SFRs at similar ages of 1–3 Myr. We find only weak trends in disk (dust) masses with galactic longitude and between the Young Stellar Object (YSO) clusters identified in the sample, with median masses varying by ≲50%. Differences in age may explain the median disk mass variations in our subsamples. Apart from this, disk masses are essentially constant at scales of ~100 pc. This also suggests that the majority of disks, even in different SFRs, are formed with similar initial masses and evolve at similar rates, assuming no external irradiation, with disk mass loss rates of ~10−8 M⊙ yr−1.
Non-thermal emission in hyper-velocity and semi-relativistic stars
Authors: Martinez J. R. , del Palacio S. , Bosch-Ramon V. , Romero G. E.
Published: March 2022

Context.There is a population of runaway stars that move at extremely high speeds with respect to their surroundings. The fast motion and the stellar wind of these stars, plus the wind-medium interaction, can lead to particle acceleration and non-thermal radiation.

Aims.We characterise the interaction between the winds of fast runaway stars and their environment, in particular to establish their potential as cosmic-ray accelerators and non-thermal emitters.

Methods.We model the hydrodynamics of the interaction between the stellar wind and the surrounding material. We self-consistently calculate the injection and transport of relativistic particles in the bow shock using a multi-zone code, and compute their broadband emission from radio toγ-rays.

Results.Both the forward and reverse shocks are favourable sites for particle acceleration, although the radiative efficiency of particles is low and therefore the expected fluxes are in general rather faint.

Conclusions.We show that high-sensitivity observations in the radio band can be used to detect the non-thermal radiation associated with bow shocks from hyper-velocity and semi-relativistic stars. Hyper-velocity stars are expected to be modest sources of sub-TeV cosmic rays, accounting perhaps for ∼0.1% of that of galactic cosmic rays.
CRIRES high-resolution near-infrared spectroscopy of diffuse interstellar band profiles
Authors: Ebenbichler A. , Postel A. , Przybilla N. , Seifahrt A. , Weßmayer D. , Kausch W. , Firnstein M. , Butler K. , Kaufer A. , Linnartz H.
Published: March 2022

Aims. A high spectral resolution investigation of diffuse interstellar bands (DIBs) in the near-infrared (YJ band) is conducted to test new methods, to confirm and improve existing parameters, and to search for new DIBs.

Methods. The CRyogenic high-resolution InfraRed Echelle Spectrograph (CRIRES) on the European Southern Observatory's Very Large Telescope was employed to obtain spectra of four reddened background supergiant stars (HD 183143, HD 165784, HD 92207, HD 111613) and an unreddened comparison star (HD 87737) at the highest resolution of R ≈ 100 000 currently achievable at near-infrared wavelengths, more than twice as high as accomplished in previous near-infrared DIB studies. The correction for telluric absorption was performed by a modelling approach. Non-local thermodynamic equilibrium spectral modelling of available optical and the new near-infrared stellar spectra facilitated a comprehensive characterisation of the atmospheric properties of the background stars. As a consequence, a more precise and accurate determination of the reddening and the reddening law along the respective sight lines could be achieved than feasible before by comparison of the observed and model spectral energy distributions. For DIBs that overlap with stellar lines the DIB profile shapes could be recovered.

Results. Seventeen known near-infrared DIBs were confirmed, and 12 previously unknown and generally weaker DIBs were identified in the YJ band. Three DIBs that show uniform profiles along all sight lines were identified, possibly connected to transitions from a common lower state of the same carrier. The divergent extinction curve towards the frequently discussed DIB standard star HD 183143 could be reproduced for the first time, requiring extra absorption by ~3.5 mag due to polycyclic aromatic hydrocarbons (PAHs) to match the ultraviolet extinction bump. This extra absorption probably stems from a circumstellar bubble lying in front of the star which is intersected tangentially by the line of sight, making this particular sight line more peculiar than standard.
The ALMA-PILS survey: First tentative detection of 3-hydroxypropenal (HOCHCHCHO) in the interstellar medium and chemical modeling of the C3H4O2 isomers
Authors: Coutens A. , Loison J.-C. , Boulanger A. , Caux E. , Müller H. S. P. , Wakelam V. , Manigand S. , Jørgensen J. K.
Published: March 2022

Characterizing the molecular composition of solar-type protostars is useful for improving our understanding of the physico-chemical conditions under which the Sun and its planets formed. In this work, we analyzed the Atacama Large Millimeter/submillimeter Array (ALMA) data of the Protostellar Interferometric Line Survey (PILS), an unbiased spectral survey of the solar-type protostar IRAS 16293–2422, and we tentatively detected 3-hydroxypropenal (HOCHCHCHO) for the first time in the interstellar medium towards source B. Based on the observed line intensities and assuming local thermodynamic equilibrium, its column density is constrained to be ∼1015 cm−2, corresponding to an abundance of 10−4 relative to methanol, CH3OH. Additional spectroscopic studies are needed to constrain the excitation temperature of this molecule. We included HOCHCHCHO and five of its isomers in the chemical network presented in Manigand et al. (2021, A&A, 645, A53) and we predicted their chemical evolution with the Nautilus code. The model reproduces the abundance of HOCHCHCHO within the uncertainties. This species is mainly formed through the grain surface reaction CH2CHO + HCO → HCOCH2CHO, followed by the tautomerization of HCOCH2CHO into HOCHCHCHO. Two isomers, CH3COCHO and CH2COHCHO, are predicted to be even more abundant than HOCHCHCHO. Spectroscopic studies of these molecules are essential in searching for them in IRAS 16293–2422 and other astrophysical sources.
Distance to the Brick cloud using stellar kinematics
Authors: Martínez-Arranz Á. , Schödel R. , Nogueras-Lara F. , Shahzamanian B.
Published: March 2022

Context.The central molecular zone at the Galactic center is currently being studied intensively to understand how star formation proceeds under the extreme conditions of a galactic nucleus. Knowing the position of molecular clouds along the line of sight toward the Galactic center has had important implications in our understanding of the physics of the gas and star formation in the central molecular zone. It was recently claimed that the dense molecular cloud G0.253 + 0.016 (the Brick) has a distance of ∼7.20 kpc from the Sun. That would place it outside of the central molecular zone, and therefore of the nuclear stellar disk, but still inside the Bulge.

Aims.Theoretical considerations as well as observational studies show that stars that belong to the nuclear stellar disk have different kinematics from those that belong to the inner Bulge. Therefore, we aim to constrain the distance to the Brick by studying the proper motions of the stars in the area.

Methods.We used ESO HAWK-I/VLT imaging data from epochs 2015 and 2019 to compute proper motions on the Brick and in a nearby comparison field free of dark clouds.

Results.The stellar population seen toward the nuclear stellar disk shows the following three kinematic components: (1) Bulge stars with an isotropic velocity dispersion of ∼3.5 micro-arc second per year; (2) eastward moving stars on the near side of the nuclear stellar disk; and (3) westward moving stars on the far side of the nuclear stellar disk. We clearly see all three components toward the comparison field. However, toward the Brick, which blocks the light from stars behind it, we can only see kinematic components (1) and (2).

Conclusions.While the Brick blocks the light from stars on the far side of the nuclear stellar disk, the detection of a significant component of eastward streaming stars implies that the Brick must be located inside the nuclear stellar disk and, therefore, that it forms part of the central molecular zone.
Cloud-cloud collision as origin of the G31.41+0.31 massive protocluster
Authors: Beltrán M. T. , Rivilla V. M. , Kumar M. S. N. , Cesaroni R. , Galli D.
Published: March 2022

The G31.41+0.31 (G31) hot molecular core (HMC) is a high-mass protocluster showing accelerated infall and rotational spin-up that is well studied at high-angular resolution. To complement the accurate view of the small scale in G31, we traced the kinematics of the large-scale material by carrying out N2H+ (1–0) observations with the Institute de Radioastronomie Millimétrique 30m telescope of an area of ∼6 × 6 arcmin2 around the HMC. The N2H+ observations have revealed a large-scale (5 pc) hub-filament system (HFS) composed of at least four filamentary arms and a NNE–SSW velocity gradient (∼0.4 km s−1 pc−1) between the northern and southern filaments. The linewidth increases toward the hub at the center of the HFS reaching values of 2.5–3 km s−1 in the central 1 pc. The origin of the large-scale velocity gradient is likely a cloud-cloud collision. In this scenario, the filaments in G31 would have formed by compression resulting from the collision, and the rotation of the HMC observed at scales of 1000 au would have been induced by shear caused by the cloud-cloud collision at scales of a few parsecs. We conclude that G31 represents a HFS in a compressed layer with an orthogonal orientation to the plane of the sky, and it represents a benchmark for the filaments-to-clusters paradigm of star formation.
Consumer perceptions of edible packaging made of gelatin as chili powder packaging
Authors: Sevi Tesalonika , Jati Ignasius R. A. P. , Tristanto Nerissa A. , Ristiarini Susana
Published: March 2022

Edible packaging is a massive trend product which production will influence new perceptions about packaging. There has not been much research on consumers’ perceptions of edible films, so it is necessary to determine the acceptance. Chili powder packaging is one of the edible film applications in the food industry. Edible packaging applications replacing chili powder plastic packaging can reduce plastic consumption, increase the feasibility and maintain chili powder quality. However, certain materials utilization can affect the perception, such as gelatin. Unsavory perception about gelatin edible packaging, such as its halal legality, will detain its production and development. Thus, this research aimed to analyze consumers’ perception of edible packaging made of gelatin as chili powder packaging. This research was conducted using a survey method by Google Forms questionnaire working 215 respondents and organoleptic preference test employing randomly selected 101 untrained panelists. Based on observations, most respondents have positive knowledge and perception about edible packaging made of gelatin as chili powder packaging. The panelists accepted the product color, viscosity, aroma, and taste, respectively 87%, 77%, 72%, and 69%. Taken together, the findings highlight the perception and acceptance of gelatin edible packaging to replace chilli powder undegradable packaging.
Des pistes de réflexion pour la recherche sur l’endométriose en France
Authors: Rosenbaum Jean , Bourdel Nicolas , Khochbin Saadi , Kvaskoff Marina , Matsuzaki Sachiko , Mechta-Grigoriou Fatima , Pluchino Nicola , Sandra Olivier , Vaiman Daniel
Published: March 2022

L’endométriose est une maladie chronique dans laquelle des lésions ressemblant à du tissu endométrial se retrouvent hors de l’utérus, principalement dans la cavité abdomino-pelvienne. Cette maladie pourrait toucher 10 % des femmes en âge de procréer. Elle est à l’origine d’une importante altération de la qualité de vie et d’un coût majeur pour le système de santé. Peu d’équipes de recherche sont mobilisées sur ce sujet, et la physiopathologie de la maladie reste mal comprise. Nous proposons dans cet article des pistes de réflexion pour la recherche sur l’endométriose en France, fondées notamment sur la mobilisation de communautés scientifiques connexes (notamment celles impliquées dans la recherche sur le cancer, la biologie du développement, l’épigénétique, les neurosciences).
Hybrid matheuristics for the multi-capacitated clustering problem
Authors: de Araújo Kennedy Anderson Gumarães , Guedes Jedson Bernadino , Prata Bruno de Athayde
Published: March 2022

The capacitated clustering problem is a well-known and largely studied combinatorial optimization problem with several industrial applications. Although a great attention has been paid to this problem in the literature, the deeming of the problem with clusters centers with multiple types and a unique capacity per type is quite limited. We introduce a novel variant of capacitated clustering problems named multi-capacitated clustering problem (MCCP), a NP-hard optimization problem in which there are clients with different types and units of services to offer that must be grouped into given centers that demand with limited capacity per type the services. It is taken into account the distance between each one of these clients and the potential clusters to which they can be allocated, aiming to minimize the sum of such distances. It is presented an integer programming model for this problem, which it is shown to have limited application solving large-sized instances. As solution procedures, we present the following algorithms. We propose a greedy heuristic to generate a tentative feasible solution within a negligible computational effort. We adapt a size-reduction (SR) matheuristic to solve the problem under study. Furthermore, we introduce an innovative matheuristic that hybridizes the constructive phase of the well-known GRASP metaheuristic with the SR algorithm. Also, we develop a variable fixing (VF) heuristic. Finally, we propose a hybrid matheuristic based on the SR and VF algorithms. Computational results over a set of 100 randomly generated test instances point out the quality of the solutions found by the proposed algorithms. Besides, the results are statistically tested, and thus, our proposals are recommended to solve the problem under study.
Preparation and characterization of CL-20/NTO/Estane5703 composite microspheres by spray drying
Authors: Hou Conghua , Liu Mengya , Xu Cong , Ma Jingjing
Published: March 2022

CL-20/3-nitryl-1,2,4-triazole-5-one (NTO)/Estane5703 composite microspheres were prepared by a spray drying process using different processing parameters, which included the following four influencing factors: solvent type, inlet temperature, solution concentration, and flow rate of the feed solution. Scanning electron microscopy (SEM) was used to characterize the nanocomposites. The effects of the processing parameters on the morphology of the samples were investigated and discussed. X-ray diffraction (XRD) and differential scanning calorimetry were used to characterize the properties of the materials. The XRD results show that the diffraction peaks of the composite particle correspond to β-Cl-20 and NTO. The mechanical sensitivity of the microspheres was measured and analyzed. The SEM results indicated that optimal morphology was achieved when the dry gas inlet temperature, the solution concentration, and the flow rate of the feed solution were 80 °C, 10 mg ml−1, and 1.5 ml min−1, respectively, and the best solution is ethyl acetate. The thermal analysis exhibited the improved thermal stability of CL-20 in composite microspheres, whereas the impact sensitivity tests showed the enhancement of their mechanical properties. Therefore, the proposed method is an effective means of fabricating composite microspheres.
A simple scheme for the inversion of a Preisach like hysteresis operator in saturation conditions
Authors: Balato M. , Perna S. , Petrarca C. , Visone C.
Published: March 2022

A class of operators based on a Prandtl-Ishilinskii operator with inverse in a closed form is presented. Conversely to those considered in the past, they describe the B − H constitutive equation and not the usual J − H link. This allows its application in numerical schemes for the description of nonlinear dynamic circuits in transient conditions, with low formulation effort and computational weight, with respect to the standard inversion of the operator. The model has been implemented into a numerical scheme describing a RL nonlinear and hysteretic circuit, outlining the effects of residual magnetization and coercive field on the global current dynamics. The model performances are preliminary compared to numerical model based on the standard numerical inversion of the operator, along with the experimental results of transient current analysis.
Exploring seasonal variation in the faecal glucocorticoid concentrations of African elephants (
Authors: Troup Georgia , Heinsohn Robert , King Lucy E. , Edwards Katie L.
Published: March 2022

Context The wide-ranging movement of African elephants (Loxodonta africana) is largely driven by the spatio-temporal distribution of water and forage, and often leads to their travelling outside of formally protected areas. With an increase in drier periods predicted across Africa due to climate change, it is critically important to understand how elephants physiologically respond to alterations in the availability and distribution of resources. Aims We assessed variation in the adrenal activity of elephants living in Kenya’s Tsavo East National Park between wet and dry seasons, as well as among individuals found in Tsavo East National Park and privately protected Rukinga Wildlife Sanctuary (part of the Kasigau REDD+ wildlife corridor) in the dry season, when the area experiences an influx of elephants in search of alternative resources. Methods We opportunistically collected fresh elephant faecal samples across the two seasons and locations for analysis of faecal glucocorticoid metabolite (fGCM, a proxy for stress) and nitrogen (Nf, an indirect measure of diet quality) concentrations. The Normalised Difference Vegetation Index (NDVI) was employed as an additional indicator of habitat quality. Key results In Tsavo East N.P. Nf and NDVI were both significantly lower during the dry season, indicating poorer habitat quality compared with the wet season. Although elephant fGCM concentrations tended to be higher in the dry season than the wet, the differences were not significant. There was no difference between elephant fGCMs measured in Tsavo East N.P. and Rukinga W.S. during the dry season, nor in habitat quality between the two locations. Conclusions Elephants living in Tsavo may be physiologically unaffected by (or adapt to) typical seasonal changes in habitat quality that could lead to nutritional stress; however, whether this is the case during extended periods of severe drought requires further investigation. Rukinga W.S. provides a safe haven of sufficient habitat quality for elephants searching for alternative resources during this period. Implications Extended dry periods are likely to become increasingly common in semiarid savannahs, and implications for wildlife must be closely monitored. Privately protected land outside formally protected areas plays an important role in conservation efforts, which should be considered when making land management plans.
Structural determinants of dual incretin receptor agonism by tirzepatide
Authors: Sun Bingfa , Willard Francis S. , Feng Dan , Alsina-Fernandez Jorge , Chen Qi , Vieth Michal , Ho Joseph D. , Showalter Aaron D. , Stutsman Cynthia , Ding Liyun , Suter Todd M. , Dunbar James D. , Carpenter John W. , Mohammed Faiz Ahmad , Aihara Eitaro , Brown Robert A. , Bueno Ana B. , Emmerson Paul J. , Moyers Julie S. , Kobilka Tong Sun , Coghlan Matthew P. , Kobilka Brian K. , Sloop Kyle W.
Published: March 2022

Significance

Tirzepatide is a dual agonist of the glucose-dependent insulinotropic polypeptide receptor (GIPR) and the glucagon-like peptide-1 receptor (GLP-1R), which are incretin receptors that regulate carbohydrate metabolism. This investigational agent has proven superior to selective GLP-1R agonists in clinical trials in subjects with type 2 diabetes mellitus. Intriguingly, although tirzepatide closely resembles native GIP in how it activates the GIPR, it differs markedly from GLP-1 in its activation of the GLP-1R, resulting in less agonist-induced receptor desensitization. We report how cryogenic electron microscopy and molecular dynamics simulations inform the structural basis for the unique pharmacology of tirzepatide. These studies reveal the extent to which fatty acid modification, combined with amino acid sequence, determines the mode of action of a multireceptor agonist.
Culture and storytelling in literature
Authors: Wang Qi , Yang Jenny Chun-I
Published: March 2022

The present study compared ways of storytelling in Western and Asian literature. Content analysis was performed on Amazon.com and New York Times best-selling fictions and memoirs (N = 102) by Western and Asian authors. Although authors of the two cultural groups described similar numbers of event episodes per chapter, Western authors depicted the episodes in greater detail than Asian authors in both fictions and memoirs. Asian authors, on the other hand, described more frequently repeated events than Western authors in fictions. These findings highlight the important role of literature in reflecting as well as perpetuating cultural ways of storytelling.
Coherent Optical Frequency Transfer via a 490 km Noisy Fiber Link
Authors: Zhang Xiang , Deng Xue , Zang Qi , Jiao Dongdong , Gao Jing , Wang Dan , Zhou Qian , Liu Jie , Xu Guanjun , Dong Ruifang , Liu Tao , Zhang Shougang
Published: March 2022

We demonstrate the coherent transfer of an ultrastable optical frequency reference over a 490 km noisy field fiber link. The fiber-induced phase noise power spectrum density per-unit-length at 1 Hz offset frequency can reach up to 510 rad2⋅Hz−1⋅km−1, which is much higher than the fiber noise observed in previous reports. This extreme level of phase noise is mainly due to the fiber link laying underground along the highway. Appropriate phase-locked loop parameters are chosen to complete the active compensation of fiber noise by measuring the intensity fluctuation of additional phase noise and designing a homemade digital frequency division phase discriminator with a large phase detection range of 212
π rad. Finally, a noise suppression intensity of approximately 40 dB at 1 Hz is obtained, with fractional frequency instability of 1.1 × 10−14 at 1 s averaging time, and 3.7 × 10−19 at 10000 s. The transfer system will be used for remote atomic clock comparisons and optical frequency distribution over a long-distance communication network established in China.
A New Superconductor Parent Compound NaMn6Bi5 with Quasi-One-Dimensional Structure and Lower Antiferromagnetic-Like Transition Temperatures
Authors: Zhou Ying , Chen Long , Wang Gang , Wang Yu-Xin , Wang Zhi-Chuan , Chai Cong-Cong , Guo Zhong-Nan , Hu Jiang-Ping , Chen Xiao-Long
Published: March 2022

Mn-based superconductors are very rare and their superconductivity has only been reported in three-dimensional MnP and quasi-one-dimensional KMn6Bi5 and RbMn6Bi5 with [Mn6Bi5]− columns under high pressures. Here we report the synthesis, magnetism, electrical resistivity, and specific heat capacity of the newly discovered quasi-one-dimensional NaMn6Bi5. Compared with other AMn6Bi5 (A = K, Rb, and Cs), NaMn6Bi5 has abnormal Bi-Bi bond lengths and two antiferromagnetic-like transitions at 47.3 K and 51.8 K. Anisotropic resistivity and low-temperature non-Fermi liquid behavior are observed. Heat capacity measurement reveals that the Sommerfeld coefficient for NaMn6Bi5 is unusually large. Using first-principles calculations, an unusual enhancement of density of states near the Fermi level is demonstrated for NaMn6Bi5. The features make NaMn6Bi5 a more suitable platform to explore the interplay of magnetism and superconductivity.
Screening Promising CsV3Sb5-Like Kagome Materials from Systematic First-Principles Evaluation
Authors: Jiang Yutao , Yu Ze , Wang Yuxin , Lu Tenglong , Meng Sheng , Jiang Kun , Liu Miao
Published: March 2022

The CsV3Sb5 kagome lattice holds the promise for manifesting electron correlation, topology and superconductivity. However, by far only three CsV3Sb5-like kagome materials have been experimentally spotted. We enlarge this family of materials to 1386 compounds via element species substitution, and the further screening process suggests that 28 promising candidates have superior thermodynamic stability, hence they are highly likely to be synthesizable. Moreover, these compounds possess several unique electronic structures, and can be categorized into five non-magnetic and three magnetic groups accordingly. It is our hope that this work can greatly expand the viable phase space of the CsV3Sb5-like materials for investigating or tuning the novel quantum phenomena in kagome lattice.
Topological Hall effect in SrRuO3 thin films and heterostructures
Authors: Niu Xu , Chen Bin-Bin , Zhong Ni , Xiang Ping-Hua , Duan Chun-Gang
Published: March 2022

Transition metal oxides hold a wide spectrum of fascinating properties endowed by the strong electron correlations. In 4d and 5d oxides, exotic phases can be realized with the involvement of strong spin–orbit coupling (SOC), such as unconventional magnetism and topological superconductivity. Recently, topological Hall effects (THEs) and magnetic skyrmions have been uncovered in SrRuO3 thin films and heterostructures, where the presence of SOC and inversion symmetry breaking at the interface are believed to play a key role. Realization of magnetic skyrmions in oxides not only offers a platform to study topological physics with correlated electrons, but also opens up new possibilities for magnetic oxides using in the low-power spintronic devices. In this review, we discuss recent observations of THE and skyrmions in the SRO film interfaced with various materials, with a focus on the electric tuning of THE. We conclude with a discussion on the directions of future research in this field.
Competing effects of rotational diffusivity and activity on finite-sized clusters
Authors: Pilla Ravi Thej , Mani Ethayaraja
Published: March 2022

Colloidal particles interacting via short-range attraction and long-range repulsion are known to stabilize finite-sized clusters under equilibrium conditions. In this work, the effect of self-propulsion speed (activity) and rotational diffusivity (D
r) on the phase behavior of such particles is investigated using Brownian dynamics simulations. The system exhibits rich phase behavior consisting of clusters of different kinds. The cluster size varies non-monotonically with activity: increasing first and decreasing at higher activity, thus driving cluster-to-fluid phase transition. Rotational diffusivity also facilitates the formation of clusters. Larger clusters could be stabilized at low D
r values while at high D
r values, clusters are stable even at higher activities. The analysis of the static structure factor of the system confirms that rotational diffusivity delays the cluster-to-fluid transition driven by activity.
Fault diagnosis and accommodation for multi-actuator faults of a fixed-wing unmanned aerial vehicle
Authors: Liu Zhenbao , Wang Lina , Song Yuecheng , Dang Qingqing , Ma Bodi
Published: March 2022

This study proposes a system design scheme of fault detection, isolation, and accommodation algorithms for the actuator fault of a fixed-wing unmanned aerial vehicle (FW-UAV) by considering system nonlinearity, external disturbance, and multi-actuator faults. The fault diagnosis scheme consists of a comprehensive observer and a bank of fault isolation estimators designed based on the actuator of the FW-UAV. In the diagnosis module, the system model is transformed into two systems by introducing a transformation matrix, so that both the actuator faults and the system disturbance are separated. Then, the concept of equivalent output injection is applied to construct a comprehensive observer to detect the actuator fault and estimate the unknown system disturbance. In the isolation estimation module, a set of sliding mode observers (SMOs) is constructed to isolate the multi-actuator faults, which reveals the fault source precisely. The stability analysis of the proposed SMOs was derived from the solution of linear matrix inequalities. In the event of a fault, the fault estimation provided by the fault diagnosis solution is used to accommodate the fault effects, while maintaining good attitude control and position tracking performance of the FW-UAV. The effectiveness of the proposed scheme is verified by the simulation model of de Havilland DHC-2 ‘Beaver’ aircraft in different fault cases.
Combination of NO
x
mode and O3 mode air discharges for water activation to produce a potent disinfectant
Authors: Wang Zifeng , Liu Linbo , Liu Dingxin , Zhu Mengying , Chen Jinkun , Zhang Jingye , Zhang Fugao , Jiang Jianan , Guo Li , Wang Xiaohua , Rong Mingzhe
Published: March 2022

Air plasma is commonly used to treat water for activation or purification, and plasma-activated water (PAW) is a promising green disinfectant that has attracted much attention in recent years. However, either the O3 discharge mode or the NO
x
discharge mode of air plasma lacks efficiency for water activation, mainly due to the low solubility of O3, NO and NO2. The transition process between those two modes could produce high-valence NO
x
such as N2O5 which should be more efficient for water activation, but this process is not easily controlled and water activation by N2O5 has rarely been reported before. In this letter, N2O5 is found to be produced effectively and stably by mixing the effluent gases of a NO
x
mode air plasma, produced by gliding arc discharge, and an O3 mode air plasma, produced by dielectric barrier discharge. The mixed gas rich in N2O5 is found to be very efficient for water activation. A colony-forming unit reduction of nearly 6 logs was achieved for a methicillin-resistant Staphylococcus aureus suspension by using PAW treated by the mixed gas, and the high bactericidal effect of the PAW could persist for more than 1 h after the plasma activation. The main reactive species for the bactericidal effect in the PAW are discussed, and the chemical pathways for N2O5 production and its usage for water activation are illustrated.
Assessing the analog/RF and linearity performances of FinFET using high threshold voltage techniques
Authors: Jaisawal Rajeewa Kumar , Rathore Sunil , Kondekar Pravin N , Yadav Sameer , Awadhiya Bhaskar , Upadhyay Pranshoo , Bagga Navjeet
Published: March 2022

One of the severe issues of the downscaling of semiconductor devices is the threshold voltage reduction which significantly increases the leakage current. Thus, high threshold voltage (HVT) techniques are required to bring down the leakage hike for improved performances. In this paper, for the first time, we investigate the analog/radio frequency (RF) and linearity performances of silicon (Si) FinFET by employing HVT techniques. Using well-calibrated technology computer aided design models, to mitigate the leakage current, we analyzed the following approach to get HVT: (a) increasing channel doping (N
ch′); (b) making drain-side underlap (L
dsu); (c) increasing gate length (L
g′). Two flavors of fin field effect transistors (FinFETs) viz bulk and silicon-on-insulator (SOI) are suitably compared over their baseline counterpart, i.e. without HVTs. A thorough investigation of analog/RF metrics such as transconductance, output resistance, gate capacitance, cut-off frequency, gain-bandwidth, and transconductance-frequency product proves the eminence of bulk-FinFET over its peer SOI-FinFET. In contrast, SOI-FinFET shows merits in intrinsic gain and linearity such as g
m2, g
m3, VIP2, VIP3, IIP3, IMD3, and 1 dB compression point. Thus, HVT techniques are worth analyzing for a FinFET architecture employed in analog/RF applications.
Optical properties of mist CVD grown κ-Ga2O3
Authors: Muazzam Usman Ul , Chavan Prasad S , Muralidharan Rangarajan , Raghavan Srinivasan , Nath Digbijoy N
Published: March 2022

We report on the growth of crystalline κ-Ga2O3 using mist-chemical vapor deposition (CVD) on (0001) sapphire. The κ-phase was confirmed using high-resolution x-ray diffraction (XRD) θ-2θ scan and pole figure-scan of (122) reflex, respectively, while an on-axis full width at half maximum (FWHM) of 104 arcsec was measured in symmetric rocking curve scan. Further, the heteroepitaxial film was analyzed using a mosaic crystal model employing reciprocal space maps (RSM) and a series of asymmetric rocking curve scans. A bandgap of 5.1 eV and excitonic binding energy of 85 meV were estimated from absorption measurements. Built-in field, depletion width, and doping density level were extracted from parabolic WKB model fit. Cathodoluminescence (CL) spectroscopy revealed a defect peak at 329 nm, which was found to be blue-shift with increasing excitation energy, indicating a possible donor-acceptor pair (DAP) transition. Temperature-dependent Current–voltage (I–V) study was performed to extract Schottky barrier height (

Φ

B

) and ideality factor (η), which were found to be correlated with temperature. Photodetectors fabricated on the sample exhibited pure solar-blind characteristics.