bluuebunny/crossref_metadata_2025 huggingface dataset:
Rotational spectroscopy ofn-propanol:AaandAgconformers
Authors: Zingsheim O. , Maßen J. , Müller H. S. P. , Heyne B. , Fatima M. , Bonah L. , Belloche A. , Lewen F. , Schlemmer S.
Published: May 2022

Context.The primary alcohol n-propanol (i.e., normal-propanol or propan-1-ol; C3H7OH) occurs in five different conformers: Ga,Gg, Gg', Aa, andAg.All rotational spectra of the three conformers of theGfamily are well described, making astronomical search of their spectroscopic signatures possible, as opposed to those of the Aa andAgconformers.

Aims.Our goal is to facilitate the astronomical detection ofAaandAgconformers of n-propanol by characterizing their rotational spectra.

Methods.We recorded the rotational spectra of n-propanol in the frequency domain of 18-505 GHz. Additional double-modulation double-resonance (DM-DR) measurements were performed, more specifically with the goal to unambiguously assign weak transitions of theAaconformer and to verify assignments of theAgconformer.

Results.We derived a spectroscopic quantum mechanical model with experimental accuracy (withJmax= 70 andKa,max= 6) forAa n-propanol. Furthermore, we unambiguously assigned transitions (withJmax= 69 andKa,max= 9) ofAgn-propanol; in doing so, we prove the existence of two tunneling states,Ag+and Ag−.

Conclusions.The astronomical search of all five conformers of n-propanol is now possible via their rotational signatures. These are applied in a companion article on the detection of n-propanol toward the hot molecular core Sgr B2(N2).
Optimal semigroup regularity for velocity coupled elastic systems: a degenerate fractional damping case
Authors: Kuang Zhaobin , Liu Zhuangyi , Tebou Louis
Published: May 2022

In this note, we consider an abstract system of two damped elastic systems. The damping involves the average velocity and a fractional power of the principal operator, with power θ in [0, 1], The damping matrix is degenerate, which makes the regularity analysis more delicate. First, using a combination of the frequency domain method and multipliers technique, we prove the following regularity for the underlying semigroup:

The semigroup is of Gevrey class δ for every δ > 1/2θ, for each θ in (0, 1/2).

The semigroup is analytic for θ = 1/2.

The semigroup is of Gevrey class δ for every δ > 1/2(1 — θ), for each θ in (1/2, 1).

Next, we analyze the point spectrum, and derive the optimality of our regularity results. We also prove that the semigroup is not differentiable for θ = 0 or θ = 1. Those results strongly improve upon some recent results presented in Ammari et al. [J. Evol. Equ. 21 (2021) 4973-5002].
Mathematical modelling of proton migration in Earth mantle
Authors: Bobrovskiy Vadim , Galvis Juan , Kaplin Alexey , Sinitsyn Alexander , Tognoli Marco , Trucco Paolo
Published: May 2022

In the study, we address the mathematical problem of proton migration in the Earth’s mantle and suggest a prototype for exploring the Earth’s interior to map the effects of superionic proton conduction. The problem can be mathematically solved by deriving the self-consistent electromagnetic field potential U(x, t) and then reconstructing the distribution function f(x,v,t). Reducing the Vlasov-Maxwell system of equations to non-linear sh-Gordon hyperbolic and transport equations, the propagation of a non-linear wavefront within the domain and transport of the boundary conditions in the form of a non-linear wave are examined. By computing a 3D model and through Fourier-analysis, the spatial and electrical characteristics of potential U(x, t) are investigated. The numerical results are compared to the Fourier transformed quantities of the potential (V) obtained through field observations of the electric potential (Kuznetsov method). The non-stationary solutions for the forced oscillation of two-component system, and therefore, the oscillatory strengths of two types of charged particles can be usefully addressed by the proposed mathematical model. Moreover, the model, along with data analysis of the electric potential observations and probabilistic seismic hazard maps, can be used to develop an advanced seismic risk metric.
Performance evaluation of two-stage production systems with time-lag effects: An application in the horticulture industry
Authors: Alamuti Mohammad Najari , Matin Reza Kazemi , Khounsiavash Mohsen , Moghadas Zohreh
Published: May 2022

In standard data envelopment analysis (DEA), it is assumed that inputs of a specific production period are used to generate outputs of the same period. However, in some practical examples, time-lag effects exist between inputs and outputs. The inputs of one period are used to generate outputs for several periods, or inputs of several periods are used to create outputs for one period. In this paper, we present some new DEA models for performance assessment of network production systems with time-lag effects. An empirical application in the horticulture sector in Iran shows the usefulness and capabilities of our proposed approach.
Short lifetime product supply chain coordination and social benefit considering cannibalization effect and market segmentation
Authors: Hashemi Tahereh , Teimoury Ebrahim , Barzinpour Farnaz
Published: May 2022

Short lifetime product retailers often face the challenge of cannibalization between new and old products, which can negatively impact their profitability. They attempt to influence consumers’ choices through price differentiation, resulting in internal competition regarding products’ age and price. The pricing decisions affect market demand, sales volume, and as a result, the whole supply chain (SC) profit. This paper coordinates inventory and pricing decisions in a short lifetime product supply chain (SLPSC), considering the cannibalization effect. The investigated SLPSC includes a supplier and a retailer operating in a segmented market. Firstly, the optimal decisions of the SLPSC members are obtained under decentralized and centralized decision-making structures. Then, a new coordination contract named wholesale price and double compensation (WPDC) is designed to motivate the SC members to shift from the decentralized structure to the centralized one. The findings indicate that the coordinated model creates more economic profitability for the whole SLPSC than the decentralized one. Furthermore, the proposed WPDC contract is more beneficial for the SLPSC from a social viewpoint, as it increases consumer surplus. The results also demonstrate that when consumers are more sensitive to the product’s freshness, a price differentiation policy is more profitable than the same pricing.
Congenital Rare Diseases Causing Persistent Diarrhea in the Newborn:
A Single Center Experience
Authors: Hoşnut Ferda Özbay , Sahin Gulseren Evirgen , Ozyazıcı Ahmet , Olgac Asburce , Aksu Aysel Unlusoy
Published: May 2022

Congenital diarrheal disorders (CDDs) are a heterogeneous group of inherited
diseases that typically occur in the first weeks of life or can present later in
life after the introduction of different nutrients; they can cause
life-threatening severe dehydration and electrolyte disturbances. This study was
conducted to characterize the causes of monogenic CDDs, and their clinical
consequences. Clinical characteristics of 31 patients with CDDs that occurred in
the first month of life and lasted more than 2 weeks were analyzed
retrospectively. The patients were divided into groups according to the current
CDD classification. The rate of consanguinity among parents was 77.4%.
Of the patients, 16 (51.6%) were female and 15 (48.4%) were
male. The underlying genetic defect was determined in 26 (83.9%)
patients. The most common etiologic factors were digestive disorders of food and
absorption and transport of electrolytes (58.1%, 18/31) (most of
them being carbohydrate malabsorption disorders, 12/18) and intestinal
immune system disorders (9.6%, 3/31). Total parenteral nutrition
(TPN) was given to 45.2% (14/31) of the patients. Mortality rate
was 28.5% (8/28). In conclusion, early diagnosis and treatment
of CDDs with high morbidity and mortality is extremely important in terms of
prognosis. Clinical and laboratory findings, stool characteristics,
histopathological findings and the effects of dietary therapy are the primary
and most important steps that lead to accurate diagnosis. In addition, advanced
diagnostic possibilities, including genetic analyses, are essential for
diagnosing underlying diseases.
One Plus One is Better than Two: An Approach Towards a Single Blastocyst Transfer Policy for All IVF Patients
Authors: Peregrino Pedro Felipe Magalhães , Bonetti Tatiana Carvalho de Souza , Gomes Alecsandra Prado , de Martin Hamilton , Soares Júnior José Maria , Baracat Edmund Chada , Monteleone Pedro Augusto Araújo
Published: May 2022

Objective It is known that the single embryo transfer (SET) is the best choice to reduce multiples and associated risks. The practice of cryopreserving all embryos for posterior transfer has been increasingly performed for in vitro fertilization (IVF) patients at the risk of ovarian hyperstimulation syndrome or preimplantation genetic testing for aneuploidy. However, its widespread practice is still controverse. The aim of this study was to evaluate how effective is the transfer of two sequential SET procedures compared with a double embryo transfer (DET) in freeze-only cycles.

Methods This retrospective study reviewed 5,156 IVF cycles performed between 2011 and 2019, and 506 cycles using own oocytes and freeze-only policy with subsequent elective frozen-thawed embryo transfers (eFET) were selected for this study. Cycles having elective SET (eSET, n = 209) comprised our study group and as control group we included cycles performed with elective DET (eDET, n = 291). In the eSET group, 57 couples who had failed in the 1st eSET had a 2nd eFET, and the estimated cumulative ongoing pregnancy rate was calculated and compared with eDET.

Results After the 1st eFET, the ongoing pregnancy rates were similar between groups (eSET: 35.4% versus eDET: 38.5%; p = 0.497), but the estimated cumulative ongoing pregnancy rate after a 2nd eFET in the eSET group (eSET + SET) was significantly higher (48.8%) than in the eDET group (p < 0.001). Additionally, the eSET + SET group had a 2.7% rate of multiple gestations, which is significantly lower than the eDET group, with a 30.4% rate (p < 0.001).

Conclusion Our study showed the association of freeze-only strategy with until up to two consecutive frozen-thawed eSETs resulted in higher success rates than a frozen-thawed DET, while drastically reducing the rate of multiple pregnancies.
When is There no Benefit in Performing a Biopsy in the Suspicion of Intraepithelial Lesions of the Cervix?
Authors: Bonow Marília Porto , Collaço Luiz Martins , Percicote Ana Paula , Zanine Rita Maira
Published: May 2022

Objective To evaluate whether colposcopy-directed biopsy is necessary to increase the accuracy of diagnosing cervical intraepithelial lesions in relation to colposcopy.

Methods We performed a retrospective, observational study by analyzing medical records obtained from Hospital de Clínicas do Paraná from February 2008 to February 2018. Patients with results of Pap tests, colposcopy, colposcopy-directed biopsy, and surgical procedures (high-frequency surgery or cold conization) were included. Data such as quadrants involved during colposcopy and age differences were also analyzed.

Results A total of 299 women were included. Colposcopy was found to have an accuracy rate of 76.25% (95% confidence interval [CI], 71.4–81.1). Among the highest-grade lesions, the accuracy rate was 80.5% (95% CI, 75.7–85.3). The accuracy rates for biopsy were 79.6% (95% CI, 75–84.2) and 84.6% (95% CI, 80–89.1) for the highest-grade lesions. High-grade lesions were accurately confirmed in 76.9% and 85% of patients with 1 and 2 or more affected quadrants, respectively. For women younger than 40 years, the accuracy rates were 77.6% and 80.8% for colposcopy and biopsy, respectively. For women 40 years or older, the accuracy rates were 72.5% and 76.3% for colposcopy and biopsy, respectively.

Conclusion There is no difference between the accuracy of colposcopy and that of biopsy in diagnosing cervical intraepithelial lesions in relation with the result of conization. The patients who received the greatest benefit when biopsy was not performed were those with high-grade lesions at colposcopy, a lesion involving 2 or more quadrants, and those younger than 40 years.
Existe espaço para a microcirurgia na cirurgia robótica?
Authors: Silva Jefferson Braga , Busnello Catarina Vellinho , Cesarino Matheus Ribeiro , Xavier Luiza Fernandes , Cavazzola Leandro Totti
Published: May 2022

A cirurgia robótica abriu uma nova era de procedimentos minimamente invasivos, por meio da sua precisão, da eliminação dos tremores, e dos maiores graus de liberdade e demais aspectos facilitadores. O campo da microcirurgia robótica apresentou grande crescimento nos últimos anos em especial, uma vez que a robótica oferece uma configuração potencialmente ideal para realização das manipulações delicadas exigidas na microcirurgia. Assim, conduzimos uma revisão sistemática com o objetivo de avaliar os benefícios da cirurgia robótica e sua contribuição para a microcirurgia, comparando-a com as demais técnicas cirúrgicas utilizadas em pacientes de todas as faixas etárias. Foram analisados 25 artigos encontrados nas bases de dados PubMed e Cochrane utilizando os descritores robotic surgery
AND
microsurgery com filtro para os últimos cinco anos, e estudos realizados em humanos e publicados em inglês ou português. Concluímos que existe grande espaço para a cirurgia robótica na microcirurgia, como em procedimentos primários de infertilidade masculina, microcirurgia neurológica, cirurgias oculares e otológicas, cirurgia transoral, hepatobiliar, microvascular, e cirurgia plástica e reconstrutiva.
Comparação intraindividual dos resultados da liberação aberta ou com retinaculótomo de Paine na síndrome do túnel do carpo bilateral
Authors: Fernandes Carlos Henrique , Meirelles Lia Miyamoto , Santos João Baptista Gomes dos , Fernandes Marcela , Nakachima Luis Renato , Faloppa Flavio
Published: May 2022

O principal objetivo desta pesquisa foi fazer uma comparação intraindividual dos resultados entre as técnicas de incisão ulnar aberta e retinaculótomo de Paine com incisão palmar em pacientes com síndrome do túnel do carpo (STC) bilateral. Os pacientes foram submetidos à cirurgia aberta em uma mão e cirurgia com retinaculótomo de Paine na mão contralateral. Os pacientes foram avaliados com o Boston carpal tunnel questionnaire, escala visual analógica para dor e força de preensão palmar, pinça lateral, pinça polpa-polpa e trípode. As duas mãos foram examinadas antes da cirurgia e 2 semanas, 1 mês, 3 e 6 meses após a cirurgia. Dezoito pacientes (36 mãos) foram avaliados. As pontuações da escala de gravidade dos sintomas (EGS) foram maiores no pré-operatório nas mãos submetidas à cirurgia com retinaculótomo de Paine (p = 0,023), mas menores no 3° mês após o procedimento (p = 0,030). As pontuações da escala de estado funcional (EEF) foram menores às 2 semanas, 3 meses e 6 meses (p = 0,016) nas mãos submetidas à cirurgia com retinaculótomo de Paine. Em um estudo de módulo de diferença de dois grupos, o grupo submetido à cirurgia com retinaculótomo de Paine apresentou pontuações médias de EGS na 2ª semana e 1° mês e de EEF na segunda semana inferiores a 0,8 e 1,2 pontos, respectivamente, em comparação ao grupo submetido ao procedimento aberto. As mãos submetidas à cirurgia com retinaculótomo de Paine apresentaram escores significativamente menores de EGS em 3 meses e de EEF em 2 semanas, e aos 3 e 6 meses após a cirurgia em comparação a técnica aberta.
A Systematic Review of Clinical Guidelines for Preconception Care
Authors: Dorney Edwina , Boyle Jacqueline A. , Walker Ruth , Hammarberg Karin , Musgrave Loretta , Schoenaker Danielle , Jack Brian , Black Kirsten I.
Published: May 2022

Preconception care (PCC) involves a wide-ranging set of interventions to optimize health prior to pregnancy. These interventions seek to enhance conception rates, pregnancy outcomes, childhood health, and the health of future generations. To assist health care providers to exercise high-quality clinical care in this domain, clinical practice guidelines from a range of settings have been published. This systematic review sought to identify existing freely accessible international guidelines, assess these in terms of their quality using the AGREE II tool, and assess the summary recommendations and the evidence level on which they are based. We identified 11 guidelines that focused on PCC. Ten of these were classified as moderate quality (scores ranging from 3.5 to 4.5 out of 7) and only one was classified as very high quality, scoring 6.5. The levels of evidence for recommendations ranged from the lowest possible level of evidence (III) to the highest (I-a): the highest quality evidence available is for folic acid supplementation to reduce risk of neural tube defects and the role of antiviral medication to prevent HIV transmission. This systematic review identified that high-quality guidelines on PCC are lacking and that few domains of PCC recommendations are supported by high-quality evidence.
Interventional Pulmonology and Esophagus: Combined Endobronchial Ultrasound and Endoscopic Ultrasound for Mediastinal Staging
Authors: Khalid Sameeha , Hegde Pravachan
Published: May 2022

Endoscopic ultrasound (EUS) techniques in addition to endobronchial ultrasound (EBUS) can lead to diagnosis and complete accurate staging of the mediastinum in a single session. This allows for decreased health care costs, less delay in diagnosis and treatment, reduced patient discomfort, and decreased morbidity compared with invasive surgical staging techniques. In comparison to conventional mediastinoscopy, the cost-effectiveness and reduced complication profile of the endoscopic approach has made this a superior initial step in the staging and diagnosis of lung cancer. Moreover, compared with EBUS alone, combined EUS and EBUS has significantly increased yield, as well as diagnostic sensitivity making a combined approach preferable as the emerging gold-standard technique for initial minimally invasive mediastinal staging. We discuss the advantage of using EUS in combination with EBUS and highlight techniques, lymph node landmarks, utility in staging and restaging of the mediastinum, roles in diagnosing mediastinal infections and granulomatous lesions, and future directions in endosonography.
Laser terahertz emission microscopy of nanostructured spintronic emitters
Authors: Li Peiyan , Liu Shaojie , Liu Zheng , Li Min , Xu Hao , Xu Yong , Zeng Heping , Wu Xiaojun
Published: May 2022

Laser terahertz (THz) emission spectroscopy has broken the diffraction limit of THz frequencies and offers multifaceted spectroscopic and imaging capabilities for understanding the light–matter interaction in various quantum and energy materials. However, this advanced technique has not yet been applied in the recently extensively studied spintronic THz emission process, in which the material surface morphology may play an important role. Here, we conduct THz emission microscopy on 5.4-nm thick Pt/CoFeB/W heterostructures and obtain twice enhanced THz by tightly focusing the pumping laser, delicately choosing the radiation location on nanofilms and coating gold nanorods. Through THz emission mapping, the material surface morphology and its modification have a strong correlation with THz emission performance from spintronic emitters. Our proposed femtosecond fiber laser driven spintronic THz emission microscopy can provide exciting possibilities for studying surface morphology sensitive THz emission materials and microdomain ultrafast dynamics for low-dimensional small samples via further coupling optical microscopy.
Scaling microfluidic throughput with flow-balanced manifolds to simply control devices with multiple inlets and outlets
Authors: Young Katherine M. , Shankles Peter G. , Chen Theresa , Ahkee Kelly , Bules Sydney , Sulchek Todd
Published: May 2022

Microfluidics can bring unique functionalities to cell processing, but the small channel dimensions often limit the throughput for cell processing that prevents scaling necessary for key applications. While processing throughput can be improved by increasing cell concentration or flow rate, an excessive number or velocity of cells can result in device failure. Designing parallel channels can linearly increase the throughput by channel number, but for microfluidic devices with multiple inlets and outlets, the design of the channel architecture with parallel channels can result in intractable numbers of inlets and outlets. We demonstrate an approach to use multiple parallel channels for complex microfluidic designs that uses a second manifold layer to connect three inlets and five outlets per channel in a manner that balances flow properties through each channel. The flow balancing in the individual microfluidic channels was accomplished through a combination of analytical and finite element analysis modeling. Volumetric flow and cell flow velocity were measured in each multiplexed channel to validate these models. We demonstrate eight-channel operation of a label-free mechanical separation device that retains the accuracy of a single channel separation. Using the parallelized device and a model biomechanical cell system for sorting of cells based on their viability, we processed over 16 × 106 cells total over three replicates at a rate of 5.3 × 106 cells per hour. Thus, parallelization of complex microfluidics with a flow-balanced manifold system can enable higher throughput processing with the same number of inlet and outlet channels to control.
Precisely controlled microdroplet merging by giant-electrorheological-fluid-based microvalve
Authors: Yang Zheng , Wang Gang , Yuan Ziqun , Wang Ziqiu , Wu Jinbo , Zhang Mengying , Wen Weijia
Published: May 2022

A microfluidic device with a microvalve incorporated with intelligent giant electrorheological fluid (GERF) was proposed to actively and accurately control micro-droplet merging in various droplet scales. The GERF is a suspension without an additional electric field, and its viscosity can be increased with the increase in the voltage. A chamber composed of an expanded channel with thin membranes on both sides and several pillars is used to realize droplet merging. The chamber can restrict droplet flow to ensure droplet contact. When the pressure is applied by the microvalve, the membranes would pump up to the merging chamber. Thus, the pressure difference between the merging chamber and GERF channel could be controlled by the membranes’ deformation and influence the merging of the droplets. Therefore, the number of merged droplets from zero to five can be controlled when the flow rate of both the continuous phase and the discrete phase was 0.5 µl/min or from four to zero when the flow rate of the continuous phase was 0.8 µl/min and the discrete phase was 0.2 µl/min. The micro-chip can be easily fabricated without complex equipment, and only a pair of electrodes are required to control the microvalve. Thus, the proposed device has excellent application prospects in chemical synthesis and single-cell analysis.
Uniform continuity bound for sandwiched Rényi conditional entropy
Authors: Marwah Ashutosh , Dupuis Frédéric
Published: May 2022

We prove a simple uniform continuity bound for the sandwiched Rényi conditional entropy for α ∈ [1/2, 1) ∪ (1, ∞], which is independent of the dimension of the conditioning system.
Stability of a laminar pipe flow subjected to a step-like increase in the flow rate
Authors: Kannaiyan Ashok , Natarajan Sekarapandian , Vinoth B. R.
Published: May 2022

We perform the linear modal stability analysis of a pipe flow subjected to a step-like increment in the flow rate from a steady initial flow with the flow rate, Qi, to a final flow with the flow rate, Qf, at the time, tc. A step-like increment in the flow rate induces a non-periodic unsteady flow for a definite time interval. The ratio, Γa=Qi/Qf, parameterizes the increase in the flow rate, and it ranges between 0 and 1. The stability analysis for a pipe flow subjected to a step-like increment in the flow rate from the steady laminar flow (Γa>0) is not reported in the literature. The present work investigates the effect of varying Γa on the stability characteristics of an unsteady pipe flow. The step-like increment in the flow rate for 0≤Γa≤0.72 induces a viscous type instability for a definite duration, and the flow is modally unstable. The non-axisymmetric disturbance with azimuthal wavenumber, m = 1, is the most unstable mode. The flow is highly unstable for Γa=0, and the flow becomes less unstable with an increase in Γa. The flow becomes stable before it attains the steady-state condition for all Γa.
Flexible machine-learning interatomic potential for simulating structural disordering behavior of Li7La3Zr2O12 solid electrolytes
Authors: Kim Kwangnam , Dive Aniruddha , Grieder Andrew , Adelstein Nicole , Kang ShinYoung , Wan Liwen F. , Wood Brandon C.
Published: May 2022

Batteries based on solid-state electrolytes, including Li7La3Zr2O12 (LLZO), promise improved safety and increased energy density; however, atomic disorder at grain boundaries and phase boundaries can severely deteriorate their performance. Machine-learning (ML) interatomic potentials offer a uniquely compelling solution for simulating chemical processes, rare events, and phase transitions associated with these complex interfaces by mixing high scalability with quantum-level accuracy, provided that they can be trained to properly address atomic disorder. To this end, we report the construction and validation of an ML potential that is specifically designed to simulate crystalline, disordered, and amorphous LLZO systems across a wide range of conditions. The ML model is based on a neural network algorithm and is trained using ab initio data. Performance tests prove that the developed ML potential can predict accurate structural and vibrational characteristics, elastic properties, and Li diffusivity of LLZO comparable to ab initio simulations. As a demonstration of its applicability to larger systems, we show that the potential can correctly capture grain boundary effects on diffusivity, as well as the thermal transition behavior of LLZO. These examples show that the ML potential enables simulations of transitions between well-defined and disordered structures with quantum-level accuracy at speeds thousands of times faster than ab initio methods.
Density-functional theory vs density-functional fits
Authors: Becke Axel D.
Published: May 2022

Kohn–Sham density-functional theory (DFT), the predominant framework for electronic structure computations in chemistry today, has undergone considerable evolution in the past few decades. The earliest DFT approximations were based on uniform electron gas models completely free of empirical parameters. Tremendous improvements were made by incorporating density gradients and a small number of parameters, typically one or two, obtained from fits to atomic data. Incorporation of exact exchange and fitting to molecular data, such as experimental heats of formation, allowed even further improvements. This, however, opened a Pandora’s Box of fitting possibilities, given the limitless choices of chemical reactions that can be fit. The result is a recent explosion of DFT approximations empirically fit to hundreds, or thousands, of chemical reference data. These fitted density functionals may contain several dozen empirical parameters. What has been lost in this fitting trend is physical modeling based on theory. In this work, we present a density functional comprising our best efforts to model exchange–correlation in DFT using good theory. We compare its performance to that of heavily fit density functionals using the GMTKN55 chemical reference data of Goerigk and co-workers [Phys. Chem. Chem. Phys. 19, 32184 (2017)]. Our density-functional theory, using only a handful of physically motivated pre-factors, competes with the best heavily fit Kohn–Sham functionals in the literature.
Wake-up-free properties and high fatigue resistance of HfxZr1−xO2-based metal–ferroelectric–semiconductor using top ZrO2 nucleation layer at low thermal budget (300 °C)
Authors: Onaya Takashi , Nabatame Toshihide , Inoue Mari , Sawada Tomomi , Ota Hiroyuki , Morita Yukinori
Published: May 2022

Ferroelectricity and crystallinity of TiN/ZrO2/HfxZr1−xO2 (Hf:Zr = 0.43:0.57; HZO)/SiO2/Si metal–ferroelectric–semiconductor (MFS) capacitors with a top ZrO2 nucleation layer fabricated by low-temperature processes at 300 °C of atomic layer deposition and post-metallization annealing (PMA) were systematically investigated. The HZO (10 nm)-based MFS capacitors without (w/o) and with 2- and 10-nm-thick ZrO2 films (ZrO2-2 nm and ZrO2-10 nm, respectively) were found to form an extremely thin SiO2 interfacial layer (SiO2-IL) with a thickness of one or two monolayers. The HZO film in the TiN/ZrO2/HZO/SiO2/Si capacitors formed the ferroelectric orthorhombic phase even with a low thermal budget of 300 °C; in contrast, that of the w/o capacitor exhibited a predominantly amorphous structure. This result is attributed to the polycrystalline ZrO2 film acting as a nucleation layer for the crystallization of an amorphous HZO film during PMA treatment. Therefore, the remnant polarization (2Pr) increased in the order of w/o (2.2 µC/cm2) < ZrO2-2 nm (6.8 µC/cm2) < ZrO2-10 nm (15 µC/cm2). The endurance properties of the ZrO2-10 nm capacitor were free from the wake-up effect and exhibited less degradation because of the insertion of a thick ZrO2 film of 10 nm at the TiN/HZO interface, which promoted the preferential formation of the ferroelectric orthorhombic phase and prevented the formation of oxygen vacancies at the ZrO2/HZO interface. These results suggest that superior ferroelectricity with wake-up-free properties and higher fatigue resistance of HZO-based MFS capacitors can be achieved by a low-temperature fabrication technique (300 °C) using a top ZrO2 nucleation layer.
Correlated rotational excitations in NO–CO inelastic collisions
Authors: Tang Guoqiang , Besemer Matthieu , Onvlee Jolijn , Karman Tijs , van der Avoird Ad , Groenenboom Gerrit C. , van de Meerakker Sebastiaan Y. T.
Published: May 2022

We present a joint experimental and theoretical study of rotationally inelastic collisions between NO (X2Π1/2, ν = 0, j = 1/2, f) radicals and CO (X1Σ+, ν = 0, j = 0) molecules at a collision energy of 220 cm−1. State-to-state scattering images for excitation of NO radicals into various final states were measured with high resolution by combining the Stark deceleration and velocity map imaging techniques. The high image resolution afforded the observation of correlated rotational excitations of NO–CO pairs, which revealed a number of striking scattering phenomena. The so-called “parity-pair” transitions in NO are found to have similar differential cross sections, independent of the concurrent excitation of CO, extending this well-known effect for collisions between NO and rare gas atoms into the realm of bimolecular collisions. Forward scattering is found for collisions that induce a large amount of rotational energy transfer (in either NO, CO, or both), which require low impact parameters to induce sufficient energy transfer. This observation is interpreted in terms of the recently discovered hard collision glory scattering mechanism, which predicts the forward bending of initially backward receding trajectories if the energy uptake in the collision is substantial in relation to the collision energy. The experimental results are in good agreement with the predictions from coupled-channels quantum scattering calculations based on an ab initio NO–CO potential energy surface.
Control effects of a high-frequency pulsed discharge on a hypersonic separated flow
Authors: Wang Hongyu , Hu Weibo , Xie Feng , Li Jie , Jia Yao , Yang Yanguang
Published: May 2022

The control effects of a high-frequency pulsed discharge on a hypersonic separated flow induced by a 42° compression ramp are studied with high-speed schlieren imaging. A discharge is generated between an electrode pair upstream of the ramp to introduce strong disturbances into the boundary layer. The discharge frequencies used are fd = 10, 20, 30, and 40 kHz, with corresponding single-pulse energies Esp = 22.2, 20.3, 12.0, and 8.7 mJ. The results show that the discharge can reduce the separation area, especially with relatively low frequencies of 10 or 20 kHz. The flow mechanism induced by the discharge is scrutinized using a reduced-order method based on the information from time-resolved schlieren images, including proper orthogonal decomposition and dynamic mode decomposition. The results identify an unsteady mode representing regular energetic eddies within the shear layer of the separation zone. This mode has the same characteristic frequency as the discharge. These eddies enhance the mixing of the shear layer and the main flow stream, accelerating the destruction of the shear layer and reducing the separation zone size. The control effectiveness correlates with the scale of the energetic eddies. At frequencies of 10 or 20 kHz, the discharge is more conducive to attenuating the separation because large-scale eddies, excited by higher single-pulse energy, are enhanced as they propagate downstream in the shear layer. By contrast, the control effectiveness deteriorates when the discharge frequency is 30 or 40 kHz because the induced eddies have smaller scales and decay during propagation.
Emergency department presentations and 30-day mortality in patients from residential aged care facilities
Authors: Chiswell Kate , Bein Kendall , Simpkins Daniel , Latt Mark , Dinh Michael
Published: May 2022

Objective To describe patterns of emergency department (ED) presentations and predictors of 30-day mortality in patients referred from a residential aged care facility (RACF). Methods A retrospective analysis of linked state-wide emergency, inpatient and death data from 136 public ED hospitals in New South Wales, Australia. Data were collected from the NSW Emergency Department Data Collection database, the NSW Admitted Patient Data Collection database and the NSW Registry of Births, Deaths and Marriages. All patients aged ≥65 years presenting to the ED from a RACF between January 2017 and July 2018 were included. ED diagnosis categories, re-admission rates within 30 days and 30-day all-cause mortality were measured. Results In total, 43 248 presentations were identified. The most common ED diagnosis categories were: injury (26.48%), respiratory conditions (14.12%) and cardiovascular conditions (10.74%). Prolonged ED length of stay was associated with higher adjusted hazard ratios for 30-day all-cause mortality after adjustments for age Charlson Comorbidity Index, triage category and diagnosis category (HR 1.10 95% CI 1.05–1.14 P < 0.001). Conclusions A large proportion of ED presentations from RACFs were for injuries associated with falls and chest infections. There was a range of both high- and low-urgency presentations. Both the 30-day mortality and re-admission rates were high. Predictors of increased mortality included prolonged length of stay in the ED and re-admission within 30 days. The findings are useful in informing discussion around improving access to care in RACFs and coordination of healthcare providers in this cohort.
Dingoes have greater suppressive effect on fox populations than poisoning campaigns
Authors: Hunter Daniel O. , Letnic Mike
Published: May 2022

The mesopredator release hypothesis predicts that abundance of smaller predators should increase in the absence of larger predators due to release from direct killing and competition. However, the effects of top predators on mesopredators are unlikely to operate in isolation but interact with other factors such as primary productivity of the landscape and human activities. We investigate factors influencing activity indices of a top predator (dingo) and an introduced mesopredator (red fox) in forests of south-eastern Australia. We used generalised linear models to investigate the effects that net primary productivity, proximity to freehold land and poison baiting campaigns directed at dingoes had on fox and dingo activity. Baiting was the best predictor of activity for both dingoes and foxes. Dingo activity was variable but typically lower at baited sites. Fox activity varied within a lower range at a majority of sites compared to the dingo but was typically higher at the baited sites. Positive responses of foxes to dingo control are consistent with the mesopredator release hypothesis and suggest in this region dingoes may have greater suppressive effect on fox populations than poisoning campaigns directed towards dingoes. Our results suggest that removal of dingoes may be counter-productive for biodiversity conservation because it may lead to higher activity of foxes.
Ba
Authors: Reckeweg Olaf , Lissner Falk , Hoslauer Jean-Louis , Schleid Thomas
Published: May 2022

Single crystals of Ba21[BN2]11[C2]4 were obtained by the reaction of barium metal, graphite and hexagonal boron nitride in silica-jacketed niobium capsules at 1030°C. They occur as shiny black, intergrown square platelets and adopt a new structure type crystallising in the tetragonal space group I4̄, exhibiting the cell parameters a = 1538.79(6) pm and c = 1007.36(4) pm (c/a = 0.655, Z = 2). The Raman spectrum was used to corroborate the nature of the anionic moieties: linear [BN2]3− and [C2]2− groups. They provide coordination spheres with seven to nine atoms from their respective termini for the Ba2+ cations. More structural features and the Raman data are discussed and compared with related compounds.
Diurnal biting of malaria mosquitoes in the Central African Republic indicates residual transmission may be “out of control”
Authors: Sangbakembi-Ngounou Claire , Costantini Carlo , Longo-Pendy Neil Michel , Ngoagouni Carine , Akone-Ella Ousman , Rahola Nil , Cornelie Sylvie , Kengne Pierre , Nakouné Emmanuel Rivalyn , Komas Narcisse Patrice , Ayala Diego
Published: May 2022

Significance

Transmission of malarial parasites occurs via the bites of
Anopheles
mosquitoes, whose blood-feeding behavior modulates the risk of infection. In many malaria endemic regions, eradication strategies rely on reducing transmission by targeting nocturnal blood-feeding
Anopheles
with insecticidal nets. However, a proportion of mosquitoes may naturally feed when humans are not protected by nets, setting a ceiling to the efficacy of massive net-based interventions. In Bangui, Central African Republic, 20 to 30% of daily exposure to indoor bites occurs during daytime, and this fraction may correspond to mosquitoes escaping exposure to current vector control measures. Knowledge about the daily rhythmicity of mosquito biting is therefore crucial to adjust vector control tactics to protect people at places where they spend daytime.
Characterization of the incense sacrificed to the sarira of Sakyamuni from Famen Royal Temple during the ninth century in China
Authors: Ren Meng , Ren Xinlai , Wang Xinyi , Yang Yimin
Published: May 2022

Significance

Incense has been linked to ceremonies, religions, medicines, and cosmetics worldwide for thousands of years. While Chinese texts in the Tang dynasty (618 to 907 CE) indicate that numerous exotic aromatic substances were already being introduced into China through the land and maritime Silk Road, this has been rarely demonstrated archaeologically. This study identifies three types of incense associated with the sacred sarira of Sakyamuni Budda from the underground palace of Famen Royal Temple in central China, providing direct evidence of aromatics including elemi, agarwood, and frankincense as well as their composite product, namelyHexiang(blending of aromatics), in Buddhist activities, which may have promoted the spread of incense and the development of aromatic knowledge systems in medieval China.
Robust designation of meiotic crossover sites by CDK-2 through phosphorylation of the MutSγ complex
Authors: Haversat Jocelyn , Woglar Alexander , Klatt Kayla , Akerib Chantal C. , Roberts Victoria , Chen Shin-Yu , Arur Swathi , Villeneuve Anne M. , Kim Yumi
Published: May 2022

Significance

Successful chromosome segregation during meiosis relies on crossover recombination between homologous chromosomes. Meiotic recombination initiates with the formation of numerous DNA double-strand breaks, but only a few are ultimately selected to become crossovers. How this process is regulated to ensure that each homolog pair designates at least one crossover remains poorly understood. Here, we show that the
Caenorhabditis elegans
kinase CDK-2 partners with cyclin-like protein COSA-1 and promotes crossover designation through phosphorylation and activation of the MutSγ complex. Our data support a model in which scaffold-like properties of the MSH-5 C-terminal tail and its CDK-2–mediated phosphorylation combine to promote full recruitment and activity of crossover–promoting complexes, thereby generating positive feedback that contributes to the robustness of crossover designation.
Mars’ emitted energy and seasonal energy imbalance
Authors: Creecy Ellen , Li Liming , Jiang Xun , Smith Michael , Kass David , Kleinböhl Armin , Martínez Germán
Published: May 2022

Significance

The radiant energy budget is a fundamental metric for planets. Based on the observations from multiple missions, we provide a global picture of Mars’ emitted power. Furthermore, we estimate the radiant energy budget of Mars, which suggests that there are energy imbalances at the time scale of Mars’ seasons. Such energy imbalances provide a new perspective to understanding the generating mechanism of dust storms. Mars’ radiant energy budget is assumed to be balanced at all time scales in current models and theories, but our analyses show that the energy budget is not balanced, at least at the time scale of Mars’ seasons. Therefore, current theories and models should be revisited with the newly revealed energy characteristics.
Sojourner experiences and spatial repertoires
Authors: Sandbulte Jade , Canagarajah Suresh
Published: May 2022

Research on translingual repertoires has highlighted the diverse semiotic resources that individuals access in communication, but little research has considered how spatial factors permit or limit access to these resources. Furthermore, as translingual studies have predominantly focused on interactional analysis, there is a paucity of studies on how social networks shape the repertoires of users. To fill this gap, we examine the communicative practices of an international spouse temporarily living in the United States. Through interview data and mobility maps, we analyze the participant’s subject positioning and its relation to his use of spatial resources in different spaces. Despite the participant’s low English proficiency, he engaged in conversations in many spaces through strategic employment of semiotic resources, including multiple languages and material objects. He also adopted certain positionings that afforded him more opportunities to interact. Thus, we argue that the usefulness of semiotic resources is tied to the spaces in which they are employed and that access to these resources is shaped by subject positioning.
Doing penance as a nexus of practice
Authors: Izadi Dariush
Published: May 2022

Funeral and mourning rites capture so many aspects of the Iranian traditional and religious rituals and provide
members of society with cultural tools of lamenting the dead. The study presents socio-cultural considerations in connection with
social space and action, linguistic interactions, and semiotic resources of rituals used in mourning ceremonies for Shiite Muslims
in the city of Nur, Iran. The paper relies on a mediated discourse analysis approach as a theoretical framework from which to
develop a semiotic analysis of the linguistic practices and mediational means that appear in the mourning events. To this end, I
shall draw upon video and audio recorded interactions of mourning rituals personally collected at funerals. The paper demonstrates
that while mourning rituals are culturally and religiously framed in Shiite Muslims, one must also include the social space, the
discourse cycle, the trajectories of the material resource of individual’s historical bodies and of text.
The sound of absent-presence
Authors: Deumert Ana
Published: May 2022

This article engages with the theme of the proposed special issue in a perhaps unexpected way: for me, the ‘translinguistic movement’ is a pertinent reminder to move beyond the boundaries of language and other visible/audible modalities that are involved in semiosis. It also encourages us to move beyond the naïve empiricism that has shaped sociolinguistic work over the decades. The ‘sociolinguistics of the spectre’ that I develop in this article is rooted in philosophies of radical empiricism; it acknowledges the sensuous and affective nature of social life, and refuses to work with the ‘boundaries, binaries and demarcations’ that are located within the temporal ‘linearity of modernity’ (Garuba, 2013). In doing so, I will look at a particular time-space: the postcolony. It is a time-space where the ghosts of the past are ever-present and shape translinguistic practices; a time-space where time is always somehow ‘out-of-joint’.
Greenspace’s value orientations of ecosystem service and socioeconomic service in China
Authors: Yao Xia , Lin Tao , Sun Shoukai , Zhang Guoqin , Zhou Hao , Jones Laurence , Liu Wenhui , Huang Yiyi , Lin Meixia , Zhang Junmao , Chen Yuan , Ye Hong
Published: May 2022

Background: Natural ecosystems provide necessary services for human beings, including ecosystem service values (ESVs) and socioeconomic service values (SSVs). The value orientations of ESVs and SSVs are mainly related to people’s interaction with nature. This study reclassified greenspace from a perspective of exposed and non-exposed greenspace based on the level of interaction by people and greenspace. We applied an expert questionnaire to survey the SSVs value orientations of forestland, grassland, wetland, and water bodies, and quantitatively compared the value orientations between the ESVs and SSVs of greenspace in China. Result: (1) The values of exposed greenspace were relatively far higher than non-exposed greenspace, as it had both ESVs and SSVs. (2) The forestland and grassland had relatively high ESVs and SSVs, and are the priority for both the exposed and non-exposed greenspace. (3) Wetland had relatively high ESVs but low SSVs, which was unpopular for exposed greenspace. (4) The ESVs and SSVs of water body were relatively balanced. Conclusion: Greenspace had both ESVs and SSVs when they are exposed to human. Our study provided an innovative perspective to explore the value orientations of greenspace, which provides an actionable scientific basis for greenspace planning, design and construction in human habitat.
Twin-Field Quantum Key Distribution Protocol Based on Wavelength-Division-Multiplexing Technology
Authors: Han Yanxin , Sun Zhongqi , Dou Tianqi , Wang Jipeng , Li Zhenhua , Huang Yuqing , Li Pengyun , Ma Haiqiang
Published: May 2022

Quantum key distribution (QKD) generates information-theoretical secret keys between two parties based on the physical laws of quantum mechanics. Following the advancement in quantum communication networks, it becomes feasible and economical to combine QKD with classical optical communication through the same fiber using dense wavelength division multiplexing (DWDM) technology. This study proposes a detailed scheme of TF-QKD protocol with DWDM technology and analyzes its performance, considering the influence of quantum channel number and adjacent quantum crosstalk on the secret key rates. The simulation results show that the scheme further increases the secret key rate of TF-QKD and its variants. Therefore, this scheme provides a method for improving the secret key rate for practical quantum networks.