bluuebunny/crossref_metadata_2025 huggingface dataset:
A Multidimensional Approach for School-Aged Children who Stutter
Authors: Caughter Sarah , Kelman Elaine , Delpeche Sarah
Published: June 2022

Therapy for school-aged children who stutter (CWS) and their parents should be holistic, individualized, and multidimensional, considering the child within their real-life context and using a solution rather than problem-focused approach; highlighting and drawing on the strengths, resources, values; and coping skills that each family brings. Therapy at the Michael Palin Centre draws on a number of psychological approaches, including solution-focused brief therapy, cognitive behavior therapy, acceptance and commitment therapy, and compassion-focused therapy. Aspects of these approaches are discussed in this article to describe the therapeutic intervention for two school-aged CWS (aged 8 and 15 years). The Palin Model (2019) is used to conceptualize the factors that influence stuttering, as well as the different components of therapy that may be relevant for each individual family. The overarching aim of therapy, for children to become competent and effective communicators, whether they stutter or not, is described through a range of practical therapeutic activities, including exploring communication skills, openness and desensitization, exploring thoughts and feelings around stuttering, building confidence, expanding comfort zones, and developing self-efficacy. Qualitative and quantitative outcomes are presented for each clinical case.
Lexipontix Program: Facilitating Change toward “Best Hopes” of the School-Age Child Who Stutters and the Family
Authors: Fourlas George , Ntourou Katerina , Marousos Dimitris
Published: June 2022

Lexipontix is a structured therapy program for school-age children who stutter. It is based on theoretical principles and clinical practices of cognitive behavioral therapy, parent–child interaction therapy, solution-focused brief therapy, fluency shaping, and stuttering modification. A case example of a school-age child who stutters and his family who participated in the Lexipontix program is illustrated to highlight the theoretical principles, structure, content, and clinical tools of the assessment and therapy process of the program. The Lexipontix program addresses the stuttering experience of the child and family in a holistic way. The child and family are assisted in facilitating changes in all components of the International Classification of Functioning, Disability, and Health model (i.e., body function, personal factors, activity and participation, environmental factors), which help them move toward their “best hopes” (i.e., personally meaningful change) from therapy. The role of the clinician in facilitating change is also considered. Therapy outcomes for the specific case example are presented and discussed in relation to data from a retrospective chart review. The mechanisms underlying the effectiveness of the program are explored and discussed.
IT Department Demand Governance in Health Care: Reflections on a Case Series
Authors: Leu Michael G. , Ize-Ludlow Diego , Landman Adam B. , Abbaszadegan Hamed , Monsen Craig B.
Published: June 2022

Background Little is written on how best to structure IT governance in health care organizations. Governance is challenging because these groups may contain administrators, clinicians, and staff in addition to IT employees; projects may be complex and have significant impact on the teams that provide patient care.

Methods Peer organizations in health care were purposefully selected and C-suite executives were interviewed about their IT governance. Notes taken from these conversations were analyzed for guiding principles.

Results We interviewed leaders from five peer organizations. Consensus principles included: (1) minimize unwarranted variation; (2) evolve governance with the organization but independently of projects; (3) govern all clinical applications; (4) be flexible with intake, yet clear on decision-making; (5) have a tiered approach to governance; and (6) be multidisciplinary. Emerging principles included: (1) assign an IT business relationship manager to each high priority initiative, (2) have a clear escalation path to a small number of decision-makers, (3) include analytics to inform governance, (4) leverage Informatics expertise, and (5) use structured tools to streamline the process.

Conclusion While IT governance is very different across distinct health care organizations, there are some general principles that many share.
Treatment Algorithm of Postsurgical Fat Necrosis of the Breast—Revisited
Authors: Haran Oriana , Legarda Carolina , Gofstein Dina , Adelson Dana , Singolda Roei , Madah Ehab , Arad Ehud , Grush Andrew E. , Barnea Yoav
Published: June 2022

Fat necrosis is a common complication of breast surgery, with the potential to cause both functional and aesthetic repercussions that can affect patient satisfaction. Although several fat necrosis classification systems have been proposed, fat necrosis management varies widely across institutions, requiring revisiting of existing treatment protocols. We evaluated the postoperative outcomes on 335 breasts following either breast reduction or reconstruction with deep inferior epigastric perforator (DIEP) flaps at our institution between 2016 and 2020, with particular attention to the development of fat necrosis and the need for subsequent surgical intervention. Fat necrosis was diagnosed in 36 (10.74%) breasts, of which 16 (44.4%) were surgically removed and 20 (55.5%) were conservatively managed. Time of fat necrosis diagnosis: early (≤one-month after breast surgery) or late (>1 month) was the only variable associated with surgical intervention. Fat necrosis management should be approached on a case-by-case basis. Whenever possible, conservative management with regular clinical and radiological follow-up, and patient reassurance, should be pursued even for large masses, in the absence of concomitant complications.
Multipoint gas–liquid phase detection method based on a thin-film optical waveguide
Authors: Miyachi Yoshia , Furuichi Hajime , Sanada Toshiyuki , Mizushima Yuki
Published: June 2022

Gas–liquid phase detection is an important technique applied in a wide range of industries. In this study, we developed a phase detection method using a film-based optical waveguide. The optical waveguide is a thin and flexible film with multi-light paths that uses multi-microsensors for gas–liquid phase detection. The intensity of the reflected light generated by different refractive indices between gas and liquid aids in distinguishing the phase. Additionally, the sensing principle is identical to that of the typical optical fiber probing technique. In this study, we investigated the detection process considering the impact of a single droplet on waveguide sensors. Furthermore, we analyzed a droplet evaporation phenomenon and a thin-film liquid flow accompanied by a high-speed airflow on the sensors. Based on the obtained results, we determined that the proposed method can effectively measure the simultaneous local multipoint and high temporal resolution phase detection on a smooth surface. Therefore, we believe that our original sensor can diagnose such a dispersed two-phase flow near the wall inside of machines or curved tubes where the high-speed visualization is hard to be applied.
Optimization of molecular beam epitaxial film thickness uniformity using Monte Carlo simulations and an artificial neural network
Authors: Liang Kang , Zhang Zhao , Wu Gai , Gan Zhiyin , Liu Sheng
Published: June 2022

The thickness uniformity of the molecular beam epitaxial film is one of the most important factors affecting the quality of the film, and it is mainly influenced by the angular distribution of the molecular source, which is mainly determined by the inner wall shape of the crucible. In this paper, an optimization method based on particle swarm optimization, Monte Carlo simulations, and an artificial neural network is proposed, aiming at optimizing the epitaxial film uniformity in the molecular beam epitaxy process. The optimum angular distribution of an effusion source is obtained by using the method of particle swarm optimization for a given geometric configuration. The Monte Carlo method is used to simulate the particle evaporation process to obtain the relationship between the shape parameters of the crucible inner wall and the particle angular distribution. The optimum crucible shape parameters are subsequently obtained under a particular apparatus geometric configuration by using the artificial neural network according to the above relationship and the desired optimum angular distribution. Finally, the optimized results are compared by experiments.
Optical trapping and manipulation for single-particle spectroscopy and microscopy
Authors: Chen Zhenzhen , Cai Zhewei , Liu Wenbo , Yan Zijie
Published: June 2022

Optical tweezers can control the position and orientation of individual colloidal particles in solution. Such control is often desirable but challenging for single-particle spectroscopy and microscopy, especially at the nanoscale. Functional nanoparticles that are optically trapped and manipulated in a three-dimensional (3D) space can serve as freestanding nanoprobes, which provide unique prospects for sensing and mapping the surrounding environment of the nanoparticles and studying their interactions with biological systems. In this perspective, we will first describe the optical forces underlying the optical trapping and manipulation of microscopic particles, then review the combinations and applications of different spectroscopy and microscopy techniques with optical tweezers. Finally, we will discuss the challenges of performing spectroscopy and microscopy on single nanoparticles with optical tweezers, the possible routes to address these challenges, and the new opportunities that will arise.
Capacitance–voltage characteristics of perovskite light-emitting diodes: Modeling and implementing on the analysis of carrier behaviors
Authors: Xiao Xiangtian , Ye Taikang , Sun Jiayun , Qu Xiangwei , Ren Zhenwei , Wu Dan , Ding Shihao , Sun Xiao Wei , Choy Wallace C. H. , Wang Kai
Published: June 2022

Analyzing and optimizing carrier behaviors are essential to achieve high electroluminescence performance in perovskite light-emitting diodes (PeLEDs). In this work, a capacitance–voltage (C–V) model for PeLEDs is established to describe carrier behaviors. Four distinct regions in this typical C–V model, including a neutrality region, a barrier region, a carrier diffusion region, and a carrier recombination region, were analyzed. Importantly, the C–V model is implemented to guide the electroluminescence (EL) performance improvement in PeLEDs. By studying the measured C–V characteristics of a typical PeLED, issues of a high hole injection barrier and insufficient recombination are revealed. To address them, one MoO3 interface layer with deep conduction band minimum is designed between a hole transport layer and a hole injection layer to enhance the hole injection. The C–V characteristics for the optimized PeLED confirm the reduced injection barrier and strengthened recombination rate. The optimized PeLED shows an improved external quantum efficiency from 8.34% to 15.82%. The C–V model helps us to quantitatively understand the essential carrier behaviors in PeLEDs and can serve as an efficient method to improve the EL performance of PeLEDs.
Recent advances in acoustic microfluidics and its exemplary applications
Authors: Li Yue , Cai Shuxiang , Shen Honglin , Chen Yibao , Ge Zhixing , Yang Wenguang
Published: June 2022

Acoustic-based microfluidics has been widely used in recent years for fundamental research due to its simple device design, biocompatibility, and contactless operation. In this article, the basic theory, typical devices, and technical applications of acoustic microfluidics technology are summarized. First, the theory of acoustic microfluidics is introduced from the classification of acoustic waves, acoustic radiation force, and streaming flow. Then, various applications of acoustic microfluidics including sorting, mixing, atomization, trapping, patterning, and acoustothermal heating are reviewed. Finally, the development trends of acoustic microfluidics in the future were summarized and looked forward to.
Movie-mode visualization of terahertz fields inside subwavelength metallic structures using ultrashort relativistic electrons
Authors: Wang Zhe , Zhao Lingrong , Cheng Yun , Ma Zhuoran , Qi Fengfeng , Jiang Tao , Zou Xiao , Xiang Dao
Published: June 2022

Strong terahertz (THz) fields enhanced by subwavelength structures have great potential in manipulating the 6D phase space distribution of free electrons. Accurate measurement of the spatiotemporal distribution of the THz field inside the subwavelength structure is essential for understanding the physics behind such THz manipulation. Here, we demonstrate a method to directly probe the enhanced THz field inside subwavelength metallic structures in movie mode with ultrashort relativistic electrons. Information about the enhanced THz field is encoded into the deflected electron beam distribution at various time delays. Using rectangular slits as representative examples, we show that the spatiotemporal distribution of the THz field can be accurately retrieved. Furthermore, the measurement of the beam deflection demonstrates that the field can be enhanced by a factor of 20 in a rectangular slit by synthesis of a pulse train. We anticipate that this noninvasive way of probing electromagnetic fields with ultrashort electrons can find wide applications in many areas of research.
Denoising and feature extraction in photoemission spectra with variational auto-encoder neural networks
Authors: Restrepo Francisco , Zhao Junjing , Chatterjee Utpal
Published: June 2022

In recent years, distinct machine learning (ML) models have been separately used for feature extraction and noise reduction from energy–momentum dispersion intensity maps obtained from raw angle-resolved photoemission spectroscopy (ARPES) data. In this work, we employ a shallow variational auto-encoder neural network to demonstrate the prospect of using ML for both denoising of as well as feature extraction from ARPES dispersion maps.
Oxygen controlled perpendicular magnetic anisotropy in LaCoO3−δ/La0.7Sr0.3MnO3/LaCoO3−δ heterostructures
Authors: Liu Qi , Li Xiaowen , Zhu Yuanmin , Jin Cai , Han Wenqiao , Hu Sixia , Ji Yanjiang , Xu Zedong , Hu Songbai , Ye Mao , Chen Lang
Published: June 2022

Large data storage at reduced dimension is of a great deal of interest in spintronic devices in which magnetic oxide films lead for realizing the modulation of perpendicular magnetic anisotropy (PMA). Herein, we report the modulation of PMA in oxide heterostructures composed of one manganite layer sandwiched between two cobaltite layers, i.e., LaCoO3−δ/La0.7Sr0.3MnO3/LaCoO3−δ via oxygen vacancies. The PMA is originated by the orbital reconstruction and ferromagnetic exchange interaction at the interface between the CoO6 and MnO6 octahedra layers. The modulation ratio up to a significant value ∼200% of PMA can be realized through the phase transition of LaCoO3−δ layers between perovskite and brownmillerite via deprivation or replenishment of oxygen sites. The antiferromagnetic superexchange interaction at the interface between the oxygen-deficient CoO4 tetrahedra layer and the adjacent MnO6 octahedral layer with lattice distortion may suppress the magnetization and PMA. This work ensures promising outcomes in situ modulation of PMA in oxide films such as ferroelectric polarization or ionic liquid gating via the transport of oxygen vacancies.
Dynamic modeling of stack giant magnetostrictive actuator with magnetic equivalent network considering eddy current effect
Authors: Chen Zekun , Yang Xin , Li Shuxun , Zhang Zhihe , Chen Yukai
Published: June 2022

Stack giant magnetostrictive actuators (SGMAs) are widely used in various fields for its merits such as saving the space and improving the evenness of the bias magnetic field provided for the giant magnetostrictive material (GMM). In this paper, based on the flow path of the magnetic flux in SGMA, a magnetic equivalent network corresponding to quasistatic conditions is proposed taking flux leakage and fringing effect into account. Meanwhile, complex reluctances of the GMM rods are introduced to describe the decrease and phase shift of magnetic field intensities caused by eddy current under high-frequency excitation signals. Furthermore, the magnetic equivalent network, determining the relationship between excitation signals and magnetic field intensities, is combined with the Jiles–Atherton model, nonlinear constitutive theory of GMM concerning multi-field coupling, and structural dynamics of SGMA so as to derive a multi-field coupling model predicting the tracking behaviors of SGMA to the excitation signals. Moreover, a finite element method is conducted, an SGMA prototype is fabricated, and an experimental platform is set up to verify the proposed model. Comparison between results derived from the magnetic equivalent network and those calculated by the finite element method indicates that the proposed network is able to predict the magnetic field distribution inside the SGMA prototype in quasistatic conditions; further comparison between results obtained from the proposed multi-field coupling model and those from experiments indicates that the model can accurately predict tracking behaviors of the SGMA prototype to the excitation signals.
Flow and heat transfer characteristics of staggered mixed circular and drop-shaped tube bundle
Authors: Deeb Rawad
Published: June 2022

The purpose of this study is to clarify heat transfer and fluid flow behavior across six-row mixed tube bundles. The tube bundle consists of circular and drop-shaped cross sections in a staggered arrangement. The Reynolds number Re for the flow is varied from 1.78 × 103 to 18.72 × 103. Six cases of the mixed tube bundle were considered. The results of the mixed tube bundles were compared with those of the circular (case I) and drop-shaped ones (case II). The Ansys Fluent software package was utilized to predict the flow pattern over the tube bundles. The results of the numerical simulation showed that the cross-sectional shape of the tubes and their location in the bundle significantly affect the heat transfer and pressure drop in the bundle. Case IV (circular tubes in the first, third, and fifth rows and drop-shaped tubes in the second, fourth, and sixth rows) increases the average Nusselt number Nu¯ by about 1.11%–8.10% and 47.86%–49.04% compared to that of the circular and drop-shaped tube bundles, respectively. Case VII (drop-shaped tubes in the first, second, fourth, and sixth rows and circular tubes in the third and fourth rows) has the lowest friction factor f compared to the other cases of circular and mixed tube bundles. Moreover, the maximum values of the thermal–hydraulic performance ε were achieved for case IV at Re = 1.78 × 103 and the case VII at Re >1.78 × 103, which were about 14.55% and (2.08–4.49)%, respectively, higher than those obtained for the drop-shaped tube bundle. Generalized correlations of Nu¯, f, and ε for the studied mixed tube bundles were predicted.
Spectroscopic trace gas detection in air-based gas mixtures: Some methods and applications for breath analysis and environmental monitoring
Authors: Xia Jinbao , Zhu Feng , Bounds James , Aluauee Eshtar , Kolomenskii Alexandre , Dong Qian , He Jingliang , Meadows Cain , Zhang Sasa , Schuessler Hans
Published: June 2022

Laser absorption spectroscopy as a powerful tool for detecting trace gases has been widely used in the monitoring of atmospheric greenhouse gases, pollutions, and respiration processes, including human breath analysis. The detection is based on the light absorption when it propagates through a medium. Most inorganic and organic molecules have characteristic absorption lines in the mid-infrared (mid-IR), which correspond to fundamental vibrational modes and in the near-IR (first overtones) presenting their absorption fingerprints. Here, we summarize the recent developments of the three techniques, namely, wavelength modulation spectroscopy (WMS), cavity ringdown spectroscopy (CRDS), and frequency comb spectroscopy (FCS), and describe their main features as well as possible applications, illustrated by recent experimental results. Emphasis is made on methane detection as applied to breath analysis and atmospheric monitoring. For the WMS technique, we consider local measurements with a multipass cell and also kilometer long open-path configurations for the near-IR and mid-IR spectral regions. The results of measurements of methane in exhaled breath with the CRDS technique in the near-IR are presented for a group of subjects of different ages. We consider various schemes of the FCS that enable fast broadband detection, including direct spectroscopy, dual FCS, and Vernier FCS, and review numerous applications of this approach that revolutionized the field of absorption spectroscopy. The current trends and possible future developments and applications are also discussed.
Analysis and modeling of laser-driven ion-beam trace probe diagnostics of poloidal magnetic fields in field-reversed configurations
Authors: Xu Tianchao , Yang Xiaoyi , Xiao Chijie , Deng B. H. , He Renchuan , Zhang Zuyu
Published: June 2022

The field-reversed configuration (FRC) is a promising magnetic confinement fusion concept [M. Tuszewski, Nucl. Fusion 28, 2033 (1988)] and is often chosen as the target plasma for magneto inertial fusion [S. A. Slutz and M. R. Gomez, Phys. Plasmas 28, 042707 (2021)]. In FRCs, the toroidal magnetic field is essentially zero, and the poloidal magnetic field (Bp) pressure is comparable with the plasma pressure. Applying the traditional Bp diagnostics to FRCs is a major challenge because Bp is small, and reversal occurs across the core region of FRCs. The laser-driven ion-beam trace probe (LITP) is a newly developing diagnostic method to measure Bp and the radial electric field (Er) in tokamak. Here, the principles of using LITP to diagnose Bp in FRCs are proposed, verified, and numerically implemented using an iterative method to reconstruct the Bp profile. Least square tomography employing a dissipative term is used to solve the nonlinear tomography problem, which arises when applying LITP to the unique FRC magnetic topology. Numerical modeling results show that the relative errors of the reconstruction are mostly below 10%, verifying the feasibility of LITP diagnostics for FRC internal magnetic field measurements. Ion beam orbits and detector arrangements are optimized to meet the experimental requirements of FRCs. LITP can still be applied to diagnose Bp in FRCs when there is 5% measurement errors.
Reprogrammable shape transformation of magnetic soft robots enabled by magnetothermal effect
Authors: Tang Jingda , Sun Bonan
Published: June 2022

Magnetic soft robots are promising for diverse applications, since they can achieve multimodal locomotion through programming magnetization. However, reprogrammable magnetization of soft robots remains a challenge. Here, we prepare a magnetic elastomer containing both Fe3O4 and CrO2 particles, where Fe3O4 nanoparticles can be heated through the magnetothermal effect. Once the temperature exceeds the Curie point of CrO2 particles, the original magnetization profiles of the elastomer can be erased and re-written. We tune the magnetization profile of a one-dimensional magnetic strip to realize three shape transformation modes, and the reprogrammed magnetization profiles are validated experimentally. The magnetothermal heating process is simulated. We also demonstrate reprogrammable shape transformation of two-dimensional magnetic soft structures. Finally, a reprogrammable hand-shaped soft robot is designed and used as a magnetic switch in a LED circuit.
Efficient and controlled manipulation of the spin Hall angle in Pt–Ag interface
Authors: Abrão J. E. , Carlini G. , Mendes J. B. S. , Azevedo A.
Published: June 2022

The spin Hall angle (θSH) is a measure of efficiency of the spin-to-charge conversion process. In this paper, we report that it is possible to control the θSH by engineering an array of Ag microdisks by direct write laser lithography in multilayers formed by Pt/Ag/Pt/Py (Ni20Fe80) grown on Si/SiO2 substrates. The investigation of the spin-to-charge conversion was made using spin pumping measurements, and it was shown that as the number of disks increases, the current generated by the spin pumping also increases. This result demonstrates that it is possible to tune the spin Hall angle by changing the number of the Ag microdisks while keeping their size and shape fixed.
Method-of-characteristics model for a low-enthalpy, detonation-driven shock tube
Authors: Jayamani Ananthkumar , Lu Frank K.
Published: June 2022

A reduced-order model for a detonation-driven shock tube was developed using the method of characteristics (MoC). The scope of this work was limited to calorically perfect slugs of gases. Effects of momentum and heat losses were included. The governing equations for inviscid, one-dimensional flow of a calorically perfect gas were simplified using MoC. These simplified equations represented and resolved various gasdynamic phenomena such as weak compressions, rarefactions, shocks, and contact surfaces. The momentum losses in the governing equations were estimated using established friction factors. Various empirical methods were explored to determine an appropriate heat-transfer model. Based on the expected ideal wave processes in a detonation-driven shock tube, MoC subroutines were assembled into a global algorithm representing detonation tube operation. To validate the results from the reduced-order model, experiments were carried out in a small-scale detonation tube. The experiments used nitrogen as the high-pressure driver gas, stoichiometric oxyhydrogen as the detonation driver gas, and nitrogen or helium as the driven gas. Comparison with experiments showed that the detonation tube model reasonably replicated detonation tube operation for all the experimental cases. Specifically, the decaying incident shock trajectory in the driven section was replicated well, and so was the peak pressure at the driven end wall. The quasisteady plateau pressure in the detonation driver was replicated reasonably, with experimental pressure traces showing earlier decay than MoC pressure traces. The wave system produced by the reflected shock wave–contact surface interaction in the driven section was also predicted accurately by the MoC model.
Cavity dynamics of water entry for a head-ventilated cylinder
Authors: Sun Tiezhi , Wang Shisheng , Bai Pengying , Ren Weichun
Published: June 2022

This paper describes the flow field and impact load characteristics of a ventilated cylinder upon vertical and angled water entry. A high-speed camera is used to record the evolution of the cavity, and a pressure sensor placed on the head of the cylinder records the impact load. The results show that head ventilation produces an initial cavity before the cylinder enters the water. This changes the evolution of the cavity, reduces the volume of the cavity, and modifies the cavity closure mechanism. As the ventilation rate increases, the impact load decreases rapidly at first and then stabilizes at a certain level. The angle of attack also changes the flow field and impact load characteristics. In the case of angled water entry, an obvious asymmetric cavity is formed, and then cavity separation occurs. An increase in the angle of attack or the ventilation rate strengthens the cavity separation. The impact load decreases with increasing angle of attack at low ventilation rates but is independent of the angle of attack at high ventilation rates.
Fano–Feshbach formalism applied to the calculation of autoionization widths through analytic continuation
Authors: Oliveira A. P. , Jalbert Ginette , Rocha A. B.
Published: June 2022

A method to calculate the autoionization width from a discretized pseudo-spectrum is proposed. This method relies on an analytic continuation of Green’s function within the Fano–Feshbach formalism. The pseudo-spectrum is obtained at the multireference configuration interaction level in a square-integrable basis set, commonly found in quantum chemistry software. Few states around the desired resonance are needed to perform the analytic continuation. This method was applied to atomic (He and Ne) and molecular (HF and benzene) systems, and the results for the autoionization width show good agreement with the available theoretical and experimental values.
Photoionization spectroscopy of the SiH free radical in the vacuum-ultraviolet range
Authors: Chen Ning L. , Gans Bérenger , Hartweg Sebastian , Garcia Gustavo A. , Boyé-Péronne Séverine , Loison Jean-Christophe
Published: June 2022

The first measurement of the photoelectron spectrum of the silylidyne free radical, SiH, is reported between 7 and 10.5 eV. Two main photoionizing transitions involving the neutral ground state, X+1Σ+ ← X2Π and a+3Π ← X2Π, are assigned by using ab initio calculations. The corresponding adiabatic ionization energies are derived, IEad(X+1Σ+) = 7.934(5) eV and IEad(a+3Π) = 10.205(5) eV, in good agreement with our calculated values and the previous determination by Berkowitz et al. [J. Chem. Phys. 86, 1235 (1987)] from a photoionization mass spectrometric study. The photoion yield of SiH recorded in this work exhibits a dense autoionization landscape similar to that observed in the case of the CH free radical [Gans et al., J. Chem. Phys. 144, 204307 (2016)].
Benchmarking CASPT3 vertical excitation energies
Authors: Boggio-Pasqua Martial , Jacquemin Denis , Loos Pierre-François
Published: June 2022

Based on 280 reference vertical transition energies of various excited states (singlet, triplet, valence, Rydberg, n → π*, π → π*, and double excitations) extracted from the QUEST database, we assess the accuracy of complete-active-space third-order perturbation theory (CASPT3), in the context of molecular excited states. When one applies the disputable ionization-potential-electron-affinity (IPEA) shift, we show that CASPT3 provides a similar accuracy as its second-order counterpart, CASPT2, with the same mean absolute error of 0.11 eV. However, as already reported, we also observe that the accuracy of CASPT3 is almost insensitive to the IPEA shift, irrespective of the transition type and system size, with a small reduction in the mean absolute error to 0.09 eV when the IPEA shift is switched off.
All-magnonic Stern–Gerlach effect in antiferromagnets
Authors: Wang Zhenyu , Bao Weiwei , Cao Yunshan , Yan Peng
Published: June 2022

The Stern–Gerlach (SG) effect is well known as the spin-dependent splitting of a beam of atoms carrying magnetic moments by a magnetic-field gradient, leading to the concept of electron spin. Antiferromagnets can accommodate two magnon modes with opposite spin polarizations, which is equivalent to the spin property of electrons. Here, we propose an all-magnonic SG effect in an antiferromagnetic magnonic system, where a linearly polarized spin-wave beam is deflected by a straight Dzyaloshinskii–Moriya interaction (DMI) interface into two opposite polarized spin-wave beams propagating in two discrete directions. Moreover, we observe bi-focusing of antiferromagnetic spin waves induced by a curved DMI interface, which can also spatially separate thermal magnons with opposite polarizations. Our findings provide a unique perspective to understand the rich phenomena associated with antiferromagnetic magnon spin and would be helpful for polarization-dependent application of antiferromagnetic spintronic devices.
Velocity perturbations and Reynolds stresses in Holmboe instabilities
Authors: Yang Adam J. K. , Tedford E. W. , Olsthoorn J. , Lefauve A. , Lawrence G. A.
Published: June 2022

The velocity perturbations and Reynolds stresses associated with finite-amplitude Holmboe instabilities are investigated using linear stability analysis, numerical simulations, and laboratory experiments. The rightward and leftward propagating Holmboe instabilities are separated, allowing for a direct comparison of the perturbation fields between the numerical simulations and the linear stability analysis. The decomposition and superposition of the perturbation fields provide insights into the structure and origin of Reynolds stresses in Holmboe instabilities. Shear instabilities in stratified flows introduce a directional preference (anisotropy) in velocity perturbation fields, thereby generating Reynolds stresses. Here, we investigate this anisotropy by comparing pairs of horizontal and vertical velocity perturbations (u′,w′), obtained from the simulations and the laboratory experiment, with predictions from linear stability analysis. For an individual Holmboe mode, both the simulations and linear theory yield elliptical (u′,w′)-pairs that are oriented toward the second and fourth quadrants (u′w′<0), corresponding to the tilted elliptical trajectories of particle movement. Combining the leftward and rightward Holmboe modes yields (u′,w′) ellipses whose orientation and aspect ratio are phase-dependent. When averaged over a full cycle, the joint probability density functions of (u′,w′) in the linear theory and single wavelength simulations exhibit “steering wheel” structures. This steering wheel is smeared out in multiple wavelength simulations and the laboratory experiment due to varying wavelengths, resulting in an elliptical cloud. All of the approaches adopted in the present study yield Reynolds stresses that are comparable to those reported in previous laboratory and field investigations.
Anomalous Hall effect and perpendicular magnetic anisotropy in ultrathin ferrimagnetic NiCo2O4 films
Authors: Chen Xuegang , Wu Qiuchen , Zhang Le , Hao Yifei , Han Myung-Geun , Zhu Yimei , Hong Xia
Published: June 2022

The inverse spinel ferrimagnetic NiCo2O4 possesses high magnetic Curie temperature TC, high spin polarization, and strain-tunable magnetic anisotropy. Understanding the thickness scaling limit of these intriguing magnetic properties in NiCo2O4 thin films is critical for their implementation in nanoscale spintronic applications. In this work, we report the unconventional magnetotransport properties of epitaxial (001) NiCo2O4 films on MgAl2O4 substrates in the ultrathin limit. Anomalous Hall effect measurements reveal strong perpendicular magnetic anisotropy for films down to 1.5 unit cell (1.2 nm), while TC for 3 unit cell and thicker films remains above 300 K. The sign change in the anomalous Hall conductivity (σxy) and its scaling relation with the longitudinal conductivity (σxx) can be attributed to the competing effects between impurity scattering and band intrinsic Berry curvature, with the latter vanishing upon the thickness driven metal–insulator transition. Our study reveals the critical role of film thickness in tuning the relative strength of charge correlation, Berry phase effect, spin–orbit interaction, and impurity scattering, providing important material information for designing scalable epitaxial magnetic tunnel junctions and sensing devices using NiCo2O4.
Spectroscopic valuation of phonon lifetime and surface characteristics of Zn0.96Mg0.04S thin film
Authors: Krishna V S Ganesha , Mahesha M. G.
Published: June 2022

The anharmonic properties of the longitudinal optical (LO) phonon mode of Mg-doped ZnS (Zn0.96 Mg0.04S) are investigated using the Balkanski and Klemens models on the temperature-dependent Raman spectra. The variation in the position of the Raman line, peak width, and phonon lifetime with temperature was fitted using three and four phonon decay mechanisms. The values of the anharmonic fitting parameters indicated low anharmonicity. A lifetime of ∼0.17 ps at 90 K indicated a fast phonon decay. In addition, the thin film is analyzed to evaluate its surface characteristics using Raman mapping that showed chemical homogeneity over a large area of the film. Furthermore, we analyzed spatial variations of Raman line intensity, peak area, linewidth, and line position of the LO phonon mode. Raman analysis helped in understanding the phonon–phonon interaction mechanism in Zn0.96 Mg0.04S thin films.
Heteronuclear decoupling with rotor-synchronized phase-alternated cycles
Authors: Simion Andrea , Schubeis Tobias , Le Marchand Tanguy , Vasilescu Mihai , Pintacuda Guido , Lesage Anne , Filip Claudiu
Published: June 2022

A new heteronuclear decoupling pulse sequence is introduced, dubbed ROtor-Synchronized Phase-Alternated Cycles (ROSPAC). It is based on a partial refocusing of the coherences (spin operator products or cross-terms) [Filip et al., J. Mag. Reson. 176, 2 (2005)] responsible for transverse spin-polarization dephasing, on the irradiation of a large pattern of radio-frequencies, and on a significant minimization of the cross-effects implying 1H chemical-shift anisotropy. Decoupling efficiency is analyzed by numerical simulations and experiments and compared to that of established decoupling sequences [swept-frequency two-pulse phase-modulated (TPPM), TPPM, small phase incremental alternation (SPINAL), refocused Continuous-wave (CWApa), and Rotor-Synchronized Hahn-Echo pulse train (RS-HEPT)]. It was found that ROSPAC offers good 1H offset robustness for a large range of chemical shifts and low radio-frequency (RF) powers, and performs very well in the ultra-fast magic-angle spinning (MAS) regime, where it is almost independent from RF power and permits it to avoid rotary-resonance recoupling conditions (v1 = nvr, n = 1, 2). It has the advantage that only the pulse lengths require optimization and has a low duty cycle in the pulsed decoupling regime. The efficiency of the decoupling sequence is demonstrated on a model microcrystalline sample of the model protein domain GB1 at 100 kHz MAS at 18.8 T.
Recent advances in avermectin chemistry
Authors: Menchikov L. G. , Dzhafarov M. Kh. , Zavarzin I. V.
Published: June 2022

One half of the 2015 Nobel Prize in Physiology or Medicine was awarded to Satoshi Omura and William Campbell for the discovery of natural avermectins in 1976, which has revolutionized the treatment of endo- and ectoparasitic diseases. The published reviews on avermectins are primarily concerned with their biological activity and applications. This is the first review that analyzes the main advances and trends in the development of avermectin chemistry. The strategies for the total synthesis of natural avermectins are described. Considerable attention is given to the methods of chemical modification of avermectins giving new semisynthetic derivatives. The established structure–biological activity relationships for the products are discussed. The review considers the optimal strategies for chemical modification of avermectins in order to increase their biological activity and stability, reduce toxicity for warm-blooded animals and expand their field of application.
The bibliography includes 241 references.
Salicylic acid mitigates the effects of mild drought stress on radish (
Authors: Henschel Juliane Maciel , Dantas Estephanni Fernanda Oliveira , Soares Vanessa de Azevedo , Santos Sabrina Kelly dos , Santos Letícia Waléria Oliveira dos , Dias Thiago Jardelino , Batista Diego Silva
Published: June 2022

Water deficit is the most critical factor limiting plant growth and production and salicylic acid (SA) has potential for stress mitigation in plants; therefore, we evaluated the effect of SA on radish (Raphanus sativus L.) growth and ecophysiology under water deficit. Plants were sprayed with SA (100 μM) or water (control), and irrigated at 80% (W80), 60% (W60), 40% (W40), and 20% (W20) of field capacity. The SA treatments and drought stress started 7 days after sowing and lasted until the end of the cycle (30 days after sowing). The morphophysiological analyses showed that radish plants had impaired growth at the lower water supply levels, but the treatment with SA reversed these growth restraints under moderate stress, leading to increases in shoot mass at W40 and storage root mass at W60 and W40. SA treatment also reversed the reduction of storage root volume at W60. The tendency of water deficit to increase FO and reduce FV/FM suggests possible damage to the photosystem II of drought-stressed plants. The parameters of gas exchange and photosynthetic pigments showed maintained photosynthetic efficiency, but total photosynthesis decreased due the lower shoot dry mass. Overall, exogenously applied SA reversed the growth restraints at W60 and W40, which revealed that SA was effective in mitigating the effects of moderate water deficit on biomass accumulation and partitioning in radish plants.
Male mastodon landscape use changed with maturation (late Pleistocene, North America)
Authors: Miller Joshua H. , Fisher Daniel C. , Crowley Brooke E. , Secord Ross , Konomi Bledar A.
Published: June 2022

Under harsh Pleistocene climates, migration and other forms of seasonally patterned landscape use were likely critical for reproductive success of mastodons (Mammut americanum) and other megafauna. However, little is known about how their geographic ranges and mobility fluctuated seasonally or changed with sexual maturity. We used a spatially explicit movement model that coupled strontium and oxygen isotopes from two serially sampled intervals (5+ adolescent years and 3+ adult years) in a male mastodon tusk to test for changes in landscape use associated with maturation and reproductive phenology. The mastodon’s early adolescent home range was geographically restricted, with no evidence of seasonal preferences. Following inferred separation from the matriarchal herd (starting age 12 y), the adolescent male’s mobility increased as landscape use expanded away from his natal home range (likely central Indiana). As an adult, the mastodon’s monthly movements increased further. Landscape use also became seasonally structured, with some areas, including northeast Indiana, used only during the inferred mastodon mating season (spring/summer). The mastodon died in this area (>150 km from his core, nonsummer range) after sustaining a craniofacial injury consistent with a fatal blow from a competing male’s tusk during a battle over access to mates. Northeast Indiana was likely a preferred mating area for this individual and may have been regionally significant for late Pleistocene mastodons. Similarities between mammutids and elephantids in herd structure, tusk dimorphism, tusk function, and the geographic component of male maturation indicate that these traits were likely inherited from a common ancestor.
Whiskers as hydrodynamic prey sensors in foraging seals
Authors: Adachi Taiki , Naito Yasuhiko , Robinson Patrick W. , Costa Daniel P. , Hückstädt Luis A. , Holser Rachel R. , Iwasaki Wataru , Takahashi Akinori
Published: June 2022

The darkness of the deep ocean limits the vision of diving predators, except when prey emit bioluminescence. It is hypothesized that deep-diving seals rely on highly developed whiskers to locate their prey. However, if and how seals use their whiskers while foraging in natural conditions remains unknown. We used animal-borne tags to show that free-ranging elephant seals use their whiskers for hydrodynamic prey sensing. Small, cheek-mounted video loggers documented seals actively protracting their whiskers in front of their mouths with rhythmic whisker movement, like terrestrial mammals exploring their environment. Seals focused their sensing effort at deep foraging depths, performing prolonged whisker protraction to detect, pursue, and capture prey. Feeding-event recorders with light sensors demonstrated that bioluminescence contributed to only about 20% of overall foraging success, confirming that whiskers play the primary role in sensing prey. Accordingly, visual prey detection complemented and enhanced prey capture. The whiskers’ role highlights an evolutionary alternative to echolocation for adapting to the extreme dark of the deep ocean environment, revealing how sensory abilities shape foraging niche segregation in deep-diving mammals. Mammals typically have mobile facial whiskers, and our study reveals the significant function of whiskers in the natural foraging behavior of a marine predator. We demonstrate the importance of field-based sensory studies incorporating multimodality to better understand how multiple sensory systems are complementary in shaping the foraging success of predators.
Host protease activity classifies pneumonia etiology
Authors: Anahtar Melodi , Chan Leslie W. , Ko Henry , Rao Aditya , Soleimany Ava P. , Khatri Purvesh , Bhatia Sangeeta N.
Published: June 2022

Community-acquired pneumonia (CAP) has been brought to the forefront of global health priorities due to the COVID-19 pandemic. However, classification of viral versus bacterial pneumonia etiology remains a significant clinical challenge. To this end, we have engineered a panel of activity-based nanosensors that detect the dysregulated activity of pulmonary host proteases implicated in the response to pneumonia-causing pathogens and produce a urinary readout of disease. The nanosensor targets were selected based on a human protease transcriptomic signature for pneumonia etiology generated from 33 unique publicly available study cohorts. Five mouse models of bacterial or viral CAP were developed to assess the ability of the nanosensors to produce etiology-specific urinary signatures. Machine learning algorithms were used to train diagnostic classifiers that could distinguish infected mice from healthy controls and differentiate those with bacterial versus viral pneumonia with high accuracy. This proof-of-concept diagnostic approach demonstrates a way to distinguish pneumonia etiology based solely on the host proteolytic response to infection.
Hidden signatures of early fire at Evron Quarry (1.0 to 0.8 Mya)
Authors: Stepka Zane , Azuri Ido , Horwitz Liora Kolska , Chazan Michael , Natalio Filipe
Published: June 2022

Pyrotechnology is a key element of hominin evolution. The identification of fire in early hominin sites relies primarily on an initial visual assessment of artifacts’ physical alterations, resulting in potential underestimation of the prevalence of fire in the archaeological record. Here, we used a suite of spectroscopic techniques to counter the absence of visual signatures for fire and demonstrate the presence of burnt fauna and lithics at the Lower Paleolithic (LP) open-air site of Evron Quarry (Israel), dated between 1.0 and 0.8 Mya and roughly contemporaneous to Gesher Benot Ya’aqov where early pyrotechnology has been documented. We propose reexamining finds from other LP sites lacking visual clues of pyrotechnology to yield a renewed perspective on the origin, evolution, and spatiotemporal dispersal of the relationship between early hominin behavior and fire use.