bluuebunny/crossref_metadata_2025 huggingface dataset:
The role of pressure and defects in the wurtzite to rock salt transition in cadmium selenide
Authors: Lervik Anders , Svenum Ingeborg-Helene , Wang Zhaohui , Cabriolu Raffaela , Riccardi Enrico , Andersson Stefan , van Erp Titus S.
Published: March 2022

Using molecular dynamics and path sampling techniques we investigated the effect of pressure and defects in the wurtzite to rock salt transition in cadmium selenide (CdSe).
Structural and electronic properties for Be-doped Ptn (n = 1–12) clusters obtained by DFT calculations
Authors: Rodríguez-Kessler Peter L. , Rodríguez-Domínguez Adán R. , Alonso-Dávila Pedro , Navarro-Santos Pedro , Muñoz-Castro Alvaro
Published: March 2022

In this work, we have performed a computational study on the structure and electronic properties for Be-doped Ptn (n = 1–12) clusters in the framework of density functional theory (DFT).
FePd nanowires modified with cyclodextrin as improved catalysts: effect of the alloy composition on colloidal stability and catalytic capacity
Authors: Herrera Elisa , Riva Julieta , Aprea Soledad , Silva O. Fernando , Bercoff Paula G. , Granados Alejandro M.
Published: March 2022

FePd nanowires of different compositions are thoroughly characterized and assessed as catalysts for the reduction reaction of 4-nitrophenol to 4-aminophenol.
Transition-metal-free three-component coupling approach to QUINAP derivatives
Authors: Guo Xin-Wei , Quan Li-Xia , Zhu Xian-Hong , Chen Fa-Yun , Zhou An-Xi , Mao Liu-Liang , Wan Jie-Ping , Yang Shang-Dong
Published: March 2022

An efficient aluminum(iii) triflate catalyzed three-component coupling reaction of alkynes, amines and phosphorylated aryl aldehydes to access phosphoryl quinoline derivatives has been developed.
Palladium-catalyzed regioselective hydrosulfonylation of allenes with sulfinic acids
Authors: Li Luan-Ying , Leng Bo-Rong , Li Jia-Zhuo , Liu Qing-Quan , Yu Jianguang , Wei Ping , Wang De-Cai , Zhu Yi-Long
Published: March 2022

A simple palladium-based catalytic system for hydrosulfonylation of allenamides was established. Various nitrogen-containing linear allylic sulfones can be generated in moderate to excellent yield with E-selectivity and 100% atom utilization.
High performance flame-retardant organic–inorganic hybrid epoxy composites with POSS and DOPO-based co-curing agent
Authors: Xu Wei-Hua , Yan Shi-Jing , Zhao Jian-Qing
Published: March 2022

This paper introduces flame-retardant organic–inorganic hybrid epoxy composites possessing excellent comprehensive performance, which results from the phosphorus–silicon synergistic flame retardant effect of the glycidyl POSS and DOPO derivative.
In situ anchor of Na2Ti3O7 in nitrogen-rich carbon hollow red blood cell-like structure as a 0D-3D hierarchical electrode material for efficient electrochemical desalination
Authors: Zhang Yingying , Feng Xiaogeng , Wang Yuejiao , Shan Weijun , Lou Zhenning , Xiong Ying
Published: March 2022

Hollow red cell-like Na2Ti3O7/nitrogen-doped carbon are synthesized by a template-self strategy.
Algal biorefinery: a potential solution to the food–energy–water–environment nexus
Authors: Talebi Sina , Edalatpour Anis , Tavakoli Omid
Published: March 2022

An algal biorefinery solution is proposed to solve the challenges in the food–energy–water–environment nexus. The integration of algal biorefinery with the FEWE nexus is a sustainable and economically viable approach for microalgae cultivation scale-up.
Computational development of a phase-sensitive membrane raft probe
Authors: Winslow Max , Robinson David
Published: March 2022

A probe of membrane fluidity is explored and characterised computationally. The 2-methyl substitution of the common probe DPH is suggested as a novel probe of lipid membrane raft formation.
Investigation of deuterated FOX-7 – changes in structural behavior and energetic characteristics after deuteration under ambient conditions
Authors: Klapötke Thomas M. , Krumm Burkhard , Lechner Jasmin T. , Stierstorfer Jörg
Published: March 2022

For an investigation of the deuterium effect of N-deuterated compounds on the structural and thermal behavior, 1,1-diamino-2,2-dinitroethylene (FOX-7) was deuterated by deprotonation in heavy water and subsequent acidification with D2SO4.
MOF-supported crystalline ionic liquid: new type of solid electrolyte for enhanced and high ionic conductivity
Authors: Feng Li , Li Guo-Qiang , Li Yu-Kun , Gu Xiao-Ling , Hu Si-Yuan , Han Yu-Chen , Wang Yi-Fan , Zheng Ji-Ci , Deng Yu-Heng , Wan Chong-Qing
Published: March 2022

MOF supported crystalline ionic liquid EN-1@UiO-67-MIMS was achieved by use metal–organic framework (MOF) matrix, which showed a markedly improved high Na+ conductivity and a long-term durability even when heated at 150 °C for 30 days.
Electrophilic activation of alkynes promoted by a cationic alkylidene complex of Pt(ii)
Authors: Alcaide María M. , Sánchez Práxedes , Álvarez Eleuterio , Maya Celia , López-Serrano Joaquín , Peloso Riccardo
Published: March 2022

Pt(ii) alkylidene 1a has been reacted with terminal alkynes to afford ylide complexes 3a–d, resulting from electrophilic activation of the CC bond and its insertion into the platinacyclic fragment of 1a that contains the carbene functionality.
The Cloke–Wilson rearrangement of aroyl-substituted donor–acceptor cylopropanes containing arylethyl donors
Authors: Thangamalar Subaramaniam , Thangamani Murugesan , Srinivasan Kannupal
Published: March 2022

trans-2-Aroyl-3-arylethyl-cyclopropanes-1,1-dicarboxylates upon treatment with SnCl4 underwent the Cloke–Wilson rearrangement to give 3,4,5-trisubstituted γ-butyrolactones stereoselectively.
Pd–Pd/PdO as active sites on intercalated graphene oxide modified by diaminobenzene: fabrication, catalysis properties, synergistic effects, and catalytic mechanism
Authors: Li Zihan , Song Erran , Ren Ruirui , Zhao Wuduo , Li Tiesheng , Liu Minghua , Wu Yangjie
Published: March 2022

Pd(200) and the Pd(200)/PdO(102, 110) interface generatedin situparticipated in coupling reactionsviaa synergistic effect, boosting the catalytic activity to a high level.
RAFT-mediated polymerization-induced self-assembly (RAFT-PISA): current status and future directions
Authors: Wan Jing , Fan Bo , Thang San H.
Published: March 2022

A review that summarizes recent advances in the emerging field of polymerization-induced self-assembly. Topics ranging from initiation processes, morphologies and complex functional materials to applications and future directions are covered.
In situzinc cyanamide coordination induced highly N-rich graphene for efficient peroxymonosulfate activation
Authors: Zhang Junjie , Liu Hanwen , Gao Wenran , Cheng Dongfang , Tan Fatang , Wang Wei , Wang Xinyun , Qiao Xueliang , Wong Po Keung , Yao Yonggang
Published: March 2022

In situzinc cyanamide coordination induced one-step transformation of N-rich organics to N-rich graphene for efficient peroxymonosulfate activation with a turnover frequency of up to 5.50 g−1min−1.
A pseudo-boehmite AlOOH supported NGr composite-based air electrode for mechanically rechargeable Zn-air battery applications
Authors: Kharabe Geeta Pandurang , Manna Narugopal , Nadeema Ayasha , Singh Santosh K. , Mehta Shweta , Nair Aathira , Joshi Kavita , Kurungot Sreekumar
Published: March 2022

A Zn-air battery based on an AlOOH/NGr oxygen reduction electrocatalyst as the air electrode.
The ease and complexity of identifying and using specialized metabolites for crop engineering
Authors: Muhich Anna Jo , Agosto-Ramos Amanda , Kliebenstein Daniel J.
Published: March 2022

Plants produce a broad variety of specialized metabolites with distinct biological activities and potential applications. Despite this potential, most biosynthetic pathways governing specialized metabolite production remain largely unresolved across the plant kingdom. The rapid advancement of genetics and biochemical tools has enhanced our ability to identify plant specialized metabolic pathways. Further advancements in transgenic technology and synthetic biology approaches have extended this to a desire to design new pathways or move existing pathways into new systems to address long-running difficulties in crop systems. This includes improving abiotic and biotic stress resistance, boosting nutritional content, etc. In this review, we assess the potential and limitations for (1) identifying specialized metabolic pathways in plants with multi-omics tools and (2) using these enzymes in synthetic biology or crop engineering. The goal of these topics is to highlight areas of research that may need further investment to enhance the successful application of synthetic biology for exploiting the myriad of specialized metabolic pathways.
BEYONDPLANCK
Authors: Svalheim T. L. , Zonca A. , Andersen K. J. , Aurlien R. , Banerji R. , Bersanelli M. , Bertocco S. , Brilenkov M. , Carbone M. , Colombo L. P. L. , Eriksen H. K. , Foss M. K. , Franceschet C. , Fuskeland U. , Galeotta S. , Galloway M. , Gerakakis S. , Gjerløw E. , Hensley B. , Herman D. , Iacobellis M. , Ieronymaki M. , Ihle H. T. , Jewell J. B. , Karakci A. , Keihänen E. , Keskitalo R. , Maggio G. , Maino D. , Maris M. , Paradiso S. , Partridge B. , Reinecke M. , Suur-Uski A.-S. , Tavagnacco D. , Thommesen H. , Watts D. J. , Wehus I. K. , Zacchei A.
Published: March 2022

We discuss the treatment of bandpass and beam leakage corrections in the Bayesian BEYONDPLANCKcosmic microwave background (CMB) analysis pipeline as applied to thePlanckLFI measurements. As a preparatory step, we first applied three corrections to the nominal LFI bandpass profiles, including the removal of a known systematic effect in the ground measuring equipment at 61 GHz, along with a smoothing of standing wave ripples and edge regularization. The main net impact of these modifications is an overall shift in the 70 GHz bandpass of +0.6 GHz. We argue that any analysis of LFI data products, either fromPlanckor BEYONDPLANCK, should use these new bandpasses. In addition, we fit a single free bandpass parameter for each radiometer of the form Δi = Δ0 + δi, where Δ0represents an absolute frequency shift per frequency band andδiis a relative shift per detector. The absolute correction is only fitted at 30 GHz, with a fullχ2-based likelihood, resulting in a correction of Δ30 = 0.24 ± 0.03 GHz. The relative corrections were fitted using a spurious map approach that is fundamentally similar to the method pioneered by the WMAP team, but excluding the introduction of many additional degrees of freedom. All the bandpass parameters were sampled using a standard Metropolis sampler within the main BEYONDPLANCKGibbs chain and the bandpass uncertainties were thus propagated to all other data products in the analysis. In summary, we find that our bandpass model significantly reduces leakage effects. For beam leakage corrections, we adopted the officialPlanckLFI beam estimates without any additional degrees of freedom and we only marginalized over the underlying sky model. We note that this is the first time that leakage from beam mismatch has been included forPlanckLFI maps.
Interaction of coronal mass ejections and the solar wind
Authors: Talpeanu D.-C. , Poedts S. , D’Huys E. , Mierla M. , Richardson I. G.
Published: March 2022

Aims.Our goal is to thoroughly analyse the dynamics of single and multiple solar eruptions, as well as a stealth ejecta. The data were obtained through self-consistent numerical simulations performed in a previous study. We also assess the effect of a different background solar wind on the propagation of these ejecta to Earth.

Methods.We calculated all the components of the forces contributing to the evolution of the numerically modelled consecutive coronal mass ejections (CMEs) obtained with the 2.5D magnetohydrodynamics (MHD) module of the code MPI-AMRVAC. We analysed the thermal and magnetic pressure gradients and the magnetic tension dictating the formation of several flux ropes in different locations in the aftermath of the eruptions. These three components were tracked in the equatorial plane during the propagation of the CMEs to Earth. Their interaction with other CMEs and with the background solar wind was also studied.

Results.We explain the formation of the stealth ejecta and the plasma blobs (or plasmoids) occurring in the aftermath of solar eruptions. We also address the faster eruption of a CME in one case with a different background wind, even when the same triggering boundary motions were applied, and attribute this to the slightly different magnetic configuration and the large neighbouring arcade. The thermal pressure gradient revealed a shock in front of these slow eruptions, formed during their propagation to 1 AU. The double-peaked magnetic pressure gradient indicates that the triggering method affects the structure of the CMEs and that a part of the adjacent streamer is ejected along with the CME.
Apport d’une sismique en ondes S pour la recherche hydrogéologique dans un aquifère alluvial
Authors: Miquelis Florian , Hanot Franck , Gravelat Serge , Lafont Audrey
Published: March 2022

Dans le cadre de l’implantation de nouveaux forages en contexte de plaine alluvial dans le Bassin de Paris, une nouvelle méthode géophysique a été mise en œuvre afin d’imager proprement les alluvions et d’en préciser les séquences ainsi que leur géométrie et les épaisseurs. Cette méthodologie repose sur une acquisition et le traitement de lignes sismiques ultra haute résolution en ondes S, dont les vitesses très lentes permettent une haute définition de l’imagerie dans les premiers mètres. Un traitement sismique minutieux a permis de restituer des résultats très concluants. Ce type d’opération, permet d’offrir à des prix très compétitifs des résultats bien plus fiables que les méthodes électriques. La réussite de ce type de mise en œuvre reste cependant conditionnée aux choix des paramètres d’acquisition et surtout à un traitement sismique minutieux.
Adaptively switched time stepping scheme for direct aeroacoustic computations
Authors: Lu HsuehJui , Li ChungGang , Tsubokura Makoto
Published: March 2022

The physical variables involved in a flow field are of very different scales to those of the aeroacoustic field within the flow. Thus, direct aeroacoustic computations (DACs) require extremely small time steps to capture the fluctuations in the aeroacoustic field and stabilize the numerical scheme. As a result, the computation time for DACs can be very long. This paper describes an implicit Adaptively Switched Time Stepping (ASTS) scheme that enables the use of larger time steps when solving DAC problems. ASTS is based on the adaptive selection of the time stepping scheme according to the value of the residual. Early in the iteration process, an artificial time term is used to afford larger time steps while ensuring that the numerical scheme remains stable. Once the residual is less than some preset reference value, the artificial time term is removed, thus eliminating the Newton linearization error. Simulation results show that ASTS can reduce the computational cost of DACs by a factor of more than eight while maintaining the required level of accuracy.
Growth laws and self-similarity in the confined mixing zone of unstratified and strongly stably stratified isokinetic mixing-layers past a splitter plate
Authors: Kapulla R. , Doll U. , Kirkby E. , Paranjape S. , Paladino D.
Published: March 2022

The velocity U and the mixing scalar field Θ of turbulent wake flows developing downstream of a slender splitter plate were studied experimentally for unstratified and strongly stably stratified conditions in a square channel with water as fluid. The experimental program comprises five different Reynolds numbers spanning Re0=10 000–60 000 for u0=u1=u2 (isokinetic conditions) between the two planar, initially separated streams and five relative density stratifications from Δρ=0 to 10%, since mixing studies for these stratification strengths are rather limited. This full-channel Reynolds number uses the hydraulic diameter dh=50  mm of the mixing section as the characteristic length scale. These experiments challenge the corresponding numerical calculations based on Reynolds-averaged Navier–Stokes approaches relying on the Boussinesq approximations of the first and second kind. The development of the mixing scalar field Θ was measured by two fundamentally different approaches: laser induced fluorescence (LIF) in the downstream x–y mid-plane and wire-mesh sensors (WMSs) in discrete lateral y–z planes. This allows for a direct comparison of both sensing techniques at locations where both planes intersect. For the unstratified conditions, it is shown that the downstream developing wake velocity deficit decay agrees well with the theoretical approach. The concentration fields based on LIF and WMS profiles of the mean and fluctuating (root mean square, RMS) data confirm self-similarity by introducing a mixing scalar Θ for both techniques. In the approximate limit, it is shown that the mean concentration field can be well described by an error function and the corresponding RMS data by a Gaussian profile in self-similar coordinates. By using the momentum thickness θm at the splitter plate as the normalization parameter, the downstream developing width of the mixing zone δ(x) becomes independent for Re0≥30 000. The mean and the RMS values of the concentration field Θ for the stably stratified experiments show self-similarity in the core of the concentration field but also a departure from the error function and Gaussian profile in the outer parts. Introducing a local gradient Richardson number Rig, it is shown that both the growth and growth-suppression of the mixing zone are well described by the Miles–Howard criterion for all the stratified experiments considered, even though this criterion was originally developed for shear layers.
Oil-water separation in a cylindrical cyclone with vortex finder
Authors: Zhang Jian , He Yun-teng , Liu Shuo , Xu Jing-yu
Published: March 2022

Cylindrical cyclones are always used in the petroleum industry to separate the oil-water two-phase mixtures or treatment the waste water. Here, we use dimensional analysis and multiphase flow numerical simulation to analyze the separation process in a cylindrical cyclone with a vortex finder to better understand the theory and characteristics of separation. In the dimensional analysis, we consider all structural, flow, and operating parameters. A multiphase mixture model is used to simulate oil-water two-phase flow and separation in a cylindrical cyclone. There is a vortex in the core of the cylinder, and its structure is influenced by the diameter of the overflow pipe, the inlet velocity, and the flow split ratio. However, the influence of these three factors on the equivalent diameter of the vortex core can be ignored. Moreover, the inlet velocity has little influence on the equivalent length of the vortex core. Therefore, the structure of the vortex core can be calculated from the diameter and flow split ratio of the up-outlet of the cylindrical cyclone. Oil-water separation increases as the diameter of the oil droplet increases. The separation efficiency of the cylindrical cyclone with vortex can reach 80% if the inlet dispersion droplet diameter is larger than 1 mm. The oil volume fractions in the up- and down-outlets decrease as the overflow split ratio increases. The flow split ratio is the only operating parameter to consider to obtain the best separation results for a cylindrical cyclone with a fixed inlet oil-water mixture.
Effect of light and stocking density on performance, breast muscle yield and potential damage caused by feather pecking in two strains of commercial Pekin ducks
Authors: Downing J. A.
Published: March 2022

Context Minimal information is available as to the optimal stocking density and light intensity for best performance of commercial ducks. Aims To investigate the effects of stocking density and light intensity on commercial Pekin duck production. Methods Cherry Valley and Grimaud Freres Pekin ducks were housed at stocking densities of 4.4 (low), 5.2 (medium) and 6 (high) birds/m2 and from 8 to 41 days of age at 6 lux (low) and 45 lux (moderate) light intensities. On Days 14, 28, and 41 of age all ducks were individually weighed, and pen feed and water intakes recorded. On Day 41, one male and female from each pen was euthanised and breast muscle weight determined. At Weeks 3 and 4 all birds were individually examined, for extent of feather and skin damage. Key results In all weeks, the Grimaud Freres birds had higher liveweight than Cherry Valley birds. Only at Week 4, birds under low light had higher liveweight than those at moderate light intensity. At Week 4, birds at low densities had higher liveweight, while at Week 6 birds at low and medium stocking densities had higher liveweight than those at high stocking densities. At Week 4, the feed to gain ratio was poorer when birds were housed in moderate light intensity. The stocking density had no effect on the feed to gain ratio. Light and stocking density had no effect on any of the breast muscle measures. In Week 4, the birds housed at medium density had a higher feather and skin damage. At Week 3, more damage was directed to the wings than the thigh regions. There was a higher incidence of damage in some pens irrespective of treatments. Conclusions The medium stocking density supported performance equivalent to that at low density and better than at the high density. Ideally the density recommendation should be based on ‘weight density’ (kg/m2) and the current results indicate this was between 16.49 and 19.0 kg/m2. The birds performed similarly under both light intensities. Implications The suitable stocking density for efficient production is 16.5–19.0 kg/m2 and housing at 6 or 45 lux had no influence on performance. Best performance and breast muscle yield was from the Grimaud Freres strain.
Effects of phonological and talker familiarity on second language lexical development
Authors: Liu Jiang , Wiener Seth
Published: March 2022

Previous research has shown that second language (L2) learners of Mandarin learn new words more easily if the new word is homophonous with a word they already know (Liu and Wiener, 2020). That research involved word learning in which speech was produced by a single-talker with a specific pitch range. The present study examines whether the observed tonal homophone advantage is dependent on familiarity with the talker. Adult learners of Mandarin Chinese as an L2 were taught 20 new tonal words for three consecutive days. To manipulate phonological familiarity, 10 words had homophones already known to the learners and 10 words did not. To manipulate talker familiarity, participants were trained on a single talker but tested on 16 new talkers or trained and tested on 16 (multi)-talkers. Daily testing involved a 4-alternative-force-choice task. Both groups showed increased accuracy and faster response times on Day 2 compared to Day 1, but this learning was independent of homophone status or talker group. No other effects were found. These results suggest that the tonal homophone advantage in L2 word learning observed byLiu and Wiener (2020)may have been partially driven by an exceptionally high level of talker familiarity, since that study used a single speaker both for training and testing.
Modeling of fiber-coupled confocal and interferometric confocal distance sensors
Authors: Siebert Markus , Hagemeier Sebastian , Pahl Tobias , Serbes Hüseyin , Lehmann Peter
Published: March 2022

Laser distance sensors are a widespread, fast and contactless approach for distance and surface topography measurements. Main characteristics of those sensors are given by resolution, measurement speed and sensor geometry. With decreasing sensor size, the alignment of the optical components in sensor setup becomes more challenging. The depth response of optical profilers is analyzed to obtain characteristic parameters and, thus, to value the alignment and the transfer behavior of those sensors. We present a novel miniaturized sensor setup comprising of confocal and interferometric confocal signals within one sensor in order to compare both principles simply by obscuring the reference arm by an absorber. Further, we introduce a theoretical signal modeling in order to analyze influences such as spatial coherence, Gaussian beam characteristics and tilted reflectors on depth response signals. In addition to this, we show that the coherent superposition significantly reduces the axial resolution due to the confocal effect in interferometric signals compared to simple confocal signals in measurement and simulation results. Finally, an appropriate fit function is presented, in order to figure out characteristic sensor parameters from the obtained depth response signal. In this context, a good agreement to simulated and measured signals is achieved.
A computational framework for modeling and simulating vibrational mode dynamics
Authors: Rohskopf Andrew , Li Ruiyang , Luo Tengfei , Henry Asegun
Published: March 2022

Atomic vibrations influence a variety of phenomena in solids and molecules, ranging from thermal transport to chemical reactions. These vibrations can be decomposed into normal modes, often known as phonons, which are collective motions of atoms vibrating at certain frequencies; this provides a rigorous basis for understanding atomic motion and its effects on material phenomena, since phonons can be detected and excited experimentally. Unfortunately, traditional theories such as the phonon gas model do not allow for the general study of vibrational modes since they only apply to ideal crystals where modes have a wave-like characteristic. Traditional computational methods based on molecular dynamics (MD) simulations allow for the study of phonons in more general systems with disorder, where the modes are less wave-like, but traditional methods do not simulate mode interactions and energy transfer between modes. Here we present, for the first time, a theory and massively parallel open-source software for modeling vibrational modes and simulating their interactions, or energy transfers, in large systems (>103 atoms) using MD. This is achieved by rewriting the atomic equations of motion in mode coordinates, from which analytical expressions for anharmonic mode coupling constants arise. Hamiltonian mechanics then provides a simple expression for calculating power transfer between modes. As a simple application of this theory, we perform MD simulations of phonon-interface scattering in a silicon–germanium superlattice and show the various pathways of energy transfer that occur. We also highlight that while many interaction pathways exist, only a tiny fraction of these pathways transfer significant amounts of energy, which is surprising. The approach allows for the prediction and simulation of mode/phonon interactions, thus unveiling the real-time dynamics of phonon behavior and energy transport.
Computational study of oxide stoichiometry and variability in the Al/AlOx/Al tunnel junction
Authors: Lapham Paul , Georgiev Vihar P
Published: March 2022

Aluminium tunnel junctions are key components of a wide variety of electronic devices. These superconducting tunnel junctions, known as Josephson Junctions (JJ’s) are one of the main components of superconducting qubits, a favourite qubit technology in the race for working quantum computers. In this simulation study our JJ configurations are modelled as two aluminium electrodes which are separated by a thin layer of amorphous aluminium oxide. There is limited understanding of how the structure of the amorphous oxide barrier affects the performance and shortcomings of JJ systems. In this paper we present a computational study which combines molecular dynamics, atomistic semi-empirical methods (Density Functional Tight Binding) and non-equilibrium Green’s function to study the electronic structure and current flow of these junction devices. Our results suggest that the atomic nature of the amorphous barrier linked to aluminum-oxygen coordination sensitively affects the current–voltage (IV) characteristics, resistance and critical current. Oxide stoichiometry is an important parameter that can lead to variation in resistance and critical currents of several orders of magnitude. The simulations further illustrate the variability that arises due to small differences in atomic structure across amorphous barriers with the same stoichiometry, density and barrier length. Our results also confirm that the charge transport through the barrier is dominated by metallic conduction pathways.
Fluorescent sensitized irradiation sensing and recording hybrid quantum dot embedded polymer nanocomposites
Authors: S P Raju , Varma V Ramaraja , S N Chaitra , P Poornima , K Thirumalesh , Sanjeev Ganesh
Published: March 2022

This paper presents the preparation and characterisation studies of UV sensing films with a simple mathematical model for quantifying the lower UV irradiation duration/doses. To observe any appreciable changes in any properties of Poly-vinyl alcohol (PVA) films with UV irradiation, it has to be treated for few hours/days together. However, the technique presented here is an ultrasensitive method in which, the quantum dots (QDs) reinforced PVA film has become sensitive to UV radiations even for few seconds of exposure. To achieve this, Mercaptopropionic acid (MPA) capped CdTe QDs with superior fluorescence spectral properties grown in water medium were dispersed in PVA matrix to prepare QD-Polymer nanocomposites. Such fluorescence enriched films were stored in room temperature in ordinary environmental conditions for four years to check the degradability and viability. The stability of fluorescence and electrical properties of QDs inside PVA matrix was remarkable in this test period and were retained by the films even after such long duration. After that they were treated with UV radiation with the interval of few seconds to check the exposure recording ability of such films. The results are very promising in terms of sensitivity and the recording ability. Using the least square linear fit method a mathematical model was developed which would be useful in UV exposure sensing for smaller duration. This study also helps the concerned industries who would prepare film sensors for UV exposure quantification (like Litmus paper for pH sensing).
Exploring millicharged dark matter components from the shadows
Authors: Bhandari Lalit S. , Thalapillil Arun M.
Published: March 2022

Dark matter sectors with hidden interactions have been of much interest in recent years. These frameworks include models of millicharged particles as well as dark sector bound states, whose constituents have electromagnetic gauge interactions. These exotic, charged states could constitute a part of the total dark matter density. In this work, we explore in some detail the various effects, on the photon sphere and shadow of spherically symmetric black holes, due to dark matter plasmas furnished by such sectors. Estimating physically viable parameter spaces for the particle physics models and taking semi-realistic astrophysical scenarios that are amenable to theoretical analyses, we point out various modifications and characteristics that may be present. Many of these effects are unique and very distinct from analogous situations with conventional baryonic plasmas, or neutral perfect fluid dark matter surrounding black holes. While in many physically viable regions of the parameter space the effects on the near-horizon regions and black hole shadows are small, in many parts of the low particle mass regions the effects are significant, and potentially measurable by current and future telescopes. Such deviations, for instance, include characteristic changes in the photon sphere and black hole shadow radii, unique thresholds for the dark matter plasma dispersion where the photon sphere or black hole shadow vanishes, and where the dark matter plasma becomes opaque to electromagnetic waves. Alternatively, we point out that a non-observation of such deviations and characteristics, in future, could put constraints on interesting regions of the particle physics parameter space.
Two-parameter estimation with three-mode NOON state in a symmetric triple-well potential
Authors: Yao Fei , Du Yi-Mu , Xing Haijun , Fu Libin
Published: March 2022

We propose a scheme to realize two-parameter estimation via Bose–Einstein condensates confined in a symmetric triple-well potential. The three-mode NOON state is prepared adiabatically as the initial state. The two parameters to be estimated are the phase differences between the wells. The sensitivity of this estimation scheme is studied by comparing quantum and classical Fisher information matrices. As a result, we find an optimal particle number measurement method. Moreover, the precision of this estimation scheme means that the Heisenberg scaling behaves under the optimal measurement.
Precise machine learning models for fragment production in projectile fragmentation reactions using Bayesian neural networks *
Authors: Ma Chun-Wang , Wei Xiao-Bao , Chen Xi-Xi , Peng Dan , Wang Yu-Ting , Pu Jie , Cheng Kai-Xuan , Guo Ya-Fei , Wei Hui-Ling
Published: March 2022

Machine learning models are constructed to predict fragment production cross sections in projectile fragmentation (PF) reactions using Bayesian neural network (BNN) techniques. The massive learning for BNN models is based on 6393 fragments from 53 measured projectile fragmentation reactions. A direct BNN model and physical guiding BNN via FRACS parametrization (BNN + FRACS) model have been constructed to predict the fragment cross section in projectile fragmentation reactions. It is verified that the BNN and BNN + FRACS models can reproduce a wide range of fragment productions in PF reactions with incident energies from 40 MeV/u to 1 GeV/u, reaction systems with projectile nuclei from 40Ar to 208Pb, and various target nuclei. The high precision of the BNN and BNN + FRACS models makes them applicable for the low production rate of extremely rare isotopes in future PF reactions with large projectile nucleus asymmetry in the new generation of radioactive nuclear beam factories.
Structural, optical and antimicrobial properties of pure and Ag-doped ZnO nanostructures
Authors: Vikal Sagar , Gautam Yogendra K. , Ambedkar Anit K. , Gautam Durvesh , Singh Jyoti , Pratap Dharmendra , Kumar Ashwani , Kumar Sanjay , Gupta Meenal , Singh Beer Pal
Published: March 2022

In the present work, zinc oxide (ZnO) and silver (Ag) doped ZnO nanostructures are synthesized using a hydrothermal method. Structural quality of the products is attested using X-ray diffraction, which confirms the hexagonal wurtzite structure of pure ZnO and Ag-doped ZnO nanostructures. XRD further confirms the crystallite orientation along the c-axis, (101) plane. The field emission scanning electron microscope study reveals the change in shape of the synthesized ZnO particles from hexagonal nanoparticles to needle-shaped nanostructures for 3 wt% Ag-doped ZnO. The optical band gaps and lattice strain of nanostructures is increased significantly with the increase of doping concentration of Ag in ZnO nanostructure. The antimicrobial activity of synthesized nanostructures has been evaluated against the gram-positive human pathogenic bacteria, Staphylococcus aureus via an agarose gel diffusion test. The maximum value of zone of inhibition (22 mm) is achieved for 3 wt% Ag-doped ZnO nanostructure and it clearly demonstrates the remarkable antibacterial activity.
Ecotourism governance in sub-Saharan Africa: a systematic review
Authors: Forje Gadinga Walter , Awazi Nyong Princely , Kimengsi Jude Ndzifon
Published: March 2022

Ecotourism is gaining traction as a veritable approach to biodiversity conservation and livelihood sustenance in sub-Saharan Africa (SSA). The success of this approach rests in part, on the governance architecture of most states in SSA. However, empirical evidence on this subject is fragmented. This shades possibilities to frame conceptual and methodological questions to advance ecotourism governance literature. This study undertakes a review of the literature on ecotourism governance in SSA, using the PROFOR governance assessment framework as analytical lens. Content analysis, descriptive and inferential statistical methods were employed to analyse 54 published empirical articles on ecotourism governance. The results indicated that studies conducted in Southern Africa (38%) and East Africa (30%) account for close to 70% of the literature on ecotourism governance in SSA. Participation was the most studied ecotourism governance principle (96%), while efficiency was the least (15%). Kruskal-Wallis test statistic showed no significant variation in the study of ecotourism governance principles in the different sub regions of SSA. Methodologically, most of the studies have either employed qualitative (50%) or quantitative (33%) approaches, with few studies employing mixed methods (17%). Future studies need to prioritize mixed-method approaches to study principles such as efficiency and equity in the analysis of ecotourism governance. Equally more empirical research studies should be undertaken in the West and Central Africa sub-regions in order to paint a better picture of the state of ecotourism governance across sub-Saharan Africa in general.
Abnormal interfacial bonding mechanisms of multi-material additive-manufactured tungsten–stainless steel sandwich structure
Authors: Wei Chao , Gu Heng , Gu Yuchen , Liu Luchao , Huang Yihe , Cheng Dongxu , Li Zhaoqing , Li Lin
Published: March 2022

Tungsten (W) and stainless steel (SS) are well known for the high melting point and good corrosion resistance respectively. Bimetallic W–SS structures would offer potential applications in extreme environments. In this study, a SS→W→SS sandwich structure is fabricated via a special laser powder bed fusion (LPBF) method based on an ultrasonic-assisted powder deposition mechanism. Material characterization of the SS→W interface and W→SS interface was conducted, including microstructure, element distribution, phase distribution, and nano-hardness. A coupled modelling method, combining computational fluid dynamics modelling with discrete element method, simulated the melt pool dynamics and solidification at the material interfaces. The study shows that the interface bonding of SS→W (SS printed on W) is the combined effect of solid-state diffusion with different elemental diffusion rates and grain boundary diffusion. The keyhole mode of the melt pool at the W→SS (W printed on SS) interface makes the pre-printed SS layers repeatedly remelted, causing the liquid W to flow into the sub-surface of the pre-printed SS through the keyhole cavities realizing the bonding of the W→SS interface. The above interfacial bonding behaviours are significantly different from the previously reported bonding mechanism based on the melt pool convection during multiple material LPBF. The abnormal material interfacial bonding behaviours are reported for the first time.
Reasons for staying in hospital after video-assisted thoracoscopic surgery lobectomy
Authors: Huang Lin , Kehlet Henrik , Petersen René Horsleben
Published: March 2022

Background

Despite implementation of enhanced recovery after surgery (ERAS) in lung surgery, potential barriers for improvements should be identified. The aim of this single-centre, prospective ERAS cohort study was to explore reasons for delayed patient discharge after video-assisted thoracoscopic surgery (VATS) lobectomy with a median length of hospital stay (LOS) of 2 days.

Methods

Consecutive patients referred for VATS lobectomy were consulted twice daily by an investigator for the primary reasons for continued hospitalization. The secondary outcomes were risk factors for delayed recovery using univariate and multivariate regression analyses.

Results

A total of 147 patients were included (69 with LOS more than 2 days and 78 with LOS of 2 days or less) from April 2020 to December 2020. Air leak (27.7 per cent), pneumonia (20.2 per cent), pain (15.3 per cent), urinary/renal factors (11.0 per cent), atrial fibrillation (7.0 per cent), respiratory failure (4.5 per cent), cognitive factors/delirium (4.3 per cent), gastrointestinal factors (3.8 per cent), oxygen dependency (2.7 per cent), social factors (2.0 per cent), and pleural effusion (1.4 per cent) were important factors for discharge more than 2 days after surgery. The 30-day readmission rate after discharge was 21 per cent for LOS of 2 days or less and 22 per cent for LOS more than 2 days (P = 0.856). On a multivariate regression model, age (per 5-year increase, odds ratio (OR) 1.29, 95 per cent c.i. 1.01 to 1.66, P = 0.043) and forced expiratory volume in 1 s (FEV1) per cent (per 5 per cent increase, OR 0.89, 95 per cent c.i. 0.81 to 0.98, P = 0.021) were significantly related to discharge after more than 2 days.

Conclusion

Despite a short median LOS of 2 days, air leak, pneumonia, and pain remain the most important challenges for further improvement of the ERAS programme. Age and FEV1 per cent were statistically significant risk factors for LOS longer than 2 days.
Connectomic imaging to predict and prevent cognitive decline after subthalamic DBS: next steps
Authors: Kuhn Jens , Wong Joshua K. , Okun Michael S. , Baldermann Juan Carlos
Published: March 2022

This scientific commentary refers to ‘A brain network for deep brain stimulation induced cognitive decline in Parkinson’s disease’ by Reich et al. (https://doi.org/10.1093/brain/awac012).
Effectiveness and Durability of Ustekinumab Therapy With or Without Immunomodulators for Ulcerative Colitis Patients in Japan
Authors: Aoki Yasuhiro , Sujino Tomohisa , Kawaguchi Takaaki , Sugimoto Shinya , Shimada Fumie , Yoshimatsu Yusuke , Kiyohara Hiroki , Nanki Kosaku , Mikami Yohei , Takabayashi Kaoru , Hosoe Naoki , Ogata Haruhiko , Iwao Yasushi , Kanai Takanori
Published: March 2022

Background and Aims

The effectiveness and durability of ustekinumab therapy with or without thiopurine immunomodulators (IMs) for ulcerative colitis (UC) in real-world Asian, Japanese patients have not yet been elucidated.

Methods

To evaluate the additive effects of IMs on ustekinumab, a retrospective cohort study of UC patients receiving ustekinumab with or without thiopurine IMs, azathioprine or 6-mercaptopurine, was conducted from March 2020 to August 2021. The primary endpoint was clinical remission or response rate at week 8. The secondary endpoints were clinical remission or response rates at weeks 24 and 52, the durability of each treatment, and adverse events.

Results

Of the 50 patients with UC treated with ustekinumab, 42 were enrolled. Sixteen patients were treated with a combination of ustekinumab and an IM. The clinical response rates of all patients at weeks 8, 24, and 52 were 53.7%, 63.3%, and 42.9%, respectively. There was no significant difference in the clinical responses or remission rates between the combination therapy and monotherapy groups at weeks 8, 24, and 52. (50.0% vs. 56.0%, P = .757; 70.0% vs. 60.0%, P = .702; and 42.9% vs. 42.9%, P = 1.00, respectively). A Kaplan–Meier analysis showed no difference in IM use on the durability of ustekinumab treatment (log-rank test; P = .955).

Conclusions

The response rate for Japanese UC patients is similar to previous reports based on American and European UC patients. There was no significant difference between the ustekinumab monotherapy group and the ustekinumab and IM combination group in the real world.
On Trade Agreements and a Social Reproduction Approach to GVCs: A Reply to Donatella Alessandrini
Authors: Hoekman Bernard
Published: March 2022

The 15 years following the 2008–2009 global financial crisis witnessed increasing questioning in the global North of the distribution of the gains and costs of an open world economy and the multilateral rules-based trade order. Difficulties in (re-)negotiating trade agreements in the World Trade Organization led states to shift even more of their focus to reciprocal and bilateral trade agreements as these internalize benefits among partners by continuing to maintain trade barriers against non-signatories (mostly emerging economies). There is a vigorous debate across academic disciplines whether such agreements help to increase participation in global value chains (GVCs) by signatory nations and the magnitude and incidence of the associated economic, social and environmental impacts – positive or negative. These are questions calling for rigorous empirical research that assesses impacts against appropriate baselines and counterfactuals and investment in data collection, monitoring and evaluation by participating governments. Mischaracterizing both the extent to which trade agreements constrain the ability of states to regulate and reports published by international organizations on GVCs and trade agreements detracts from where the focus arguably should be: providing compelling empirical evidence that GVCs and trade agreements detrimentally affect social reproduction and specific suggestions on how the design of trade agreements should be changed to improve outcomes.
Genome-wide analysis of AAAG and ACGT cis-elements in Arabidopsis thaliana reveals their involvement with genes downregulated under jasmonic acid response in an orientation independent manner
Authors: Khan Zaiba H , Dang Siddhant , Memaya Mounil B , Bhadouriya Sneha L , Agarwal Swati , Mehrotra Sandhya , Gupta Divya , Mehrotra Rajesh
Published: March 2022

Cis-regulatory elements are regions of noncoding DNA that regulate the transcription of neighboring genes. The study of cis-element architecture that functions in transcription regulation are essential. AAAG and ACGT are a class of cis-regulatory elements, known to interact with Dof and bZIP transcription factors respectively, and are known to regulate the expression of auxin response, gibberellin response, floral development, light response, seed storage proteins genes, biotic and abiotic stress genes in plants. Analysis of the frequency of occurrence of AAAG and ACGT motifs from varying spacer lengths (0–30 base pair) between these 2 motifs in both possible orientations—AAAG (N) ACGT and ACGT (N) AAAG, in the promoters and genome of Arabidopsis thaliana which indicated preferred orientation of AAAG (N) ACGT over ACGT (N) AAAG across the genome and in promoters. Further, microarray analysis revealed the involvement of these motifs in the genes downregulated under jasmonic acid response in an orientation-independent manner. These results were further confirmed by the transient expression studies with promoter-reporter cassettes carrying AAAG and ACGT motifs in both orientations. Furthermore, cluster analysis on genes with AAAG (N) ACGT and ACGT (N) AAAG motifs orientations revealed clusters of genes to be involved in ABA signaling, transcriptional regulation, DNA binding, and metal ion binding. These findings can be utilized in designing synthetic promoters for the development of stress-tolerant transgenic plants and also provides an insight into the roles of these motifs in transcriptional regulation.