bluuebunny/crossref_metadata_2025 huggingface dataset:
The definition of low wall shear stress and its effect on plaque progression estimation in human coronary arteries
Authors: Hartman Eline M. J. , De Nisco Giuseppe , Gijsen Frank J. H. , Korteland Suze-Anne , van der Steen Anton F. W. , Daemen Joost , Wentzel Jolanda J.
Published: November 2021

Wall shear stress (WSS), the frictional force of the blood on the vessel wall, plays a crucial role in atherosclerotic plaque development. Low WSS has been associated with plaque growth, however previous research used different approaches to define low WSS to investigate its effect on plaque progression. In this study, we used four methodologies to allocate low, mid and high WSS in one dataset of human coronary arteries and investigated the predictive power of low WSS for plaque progression. Coronary reconstructions were based on multimodality imaging, using intravascular ultrasound and CT-imaging. Vessel-specific flow was measured using Doppler wire and computational fluid dynamics was performed to calculate WSS. The absolute WSS range varied greatly between the coronary arteries. On the population level, the established pattern of most plaque progression at low WSS was apparent in all methodologies defining the WSS categories. However, for the individual patient, when using measured flow to determine WSS, the absolute WSS values range so widely, that the use of absolute thresholds to determine low WSS was not appropriate to identify regions at high risk for plaque progression.
Patterns of exposure to SARS-CoV-2 carriers manifest multiscale association between urban landscape morphology and human activity
Authors: Cotlier Gabriel I. , Lehahn Yoav , Chelouche Doron
Published: November 2021

The outbreak of the Coronavirus disease 2019 (COVID-19), and the drastic measures taken to mitigate its spread through imposed social distancing, have brought forward the need to better understand the underlying factors controlling spatial distribution of human activities promoting disease transmission. Focusing on results from 17,250 epidemiological investigations performed during early stages of the pandemic outbreak in Israel, we show that the distribution of carriers of the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), which causes COVID-19, is spatially correlated with two satellite-derived surface metrics: night light intensity and landscape patchiness, the latter being a measure to the urban landscape’s scale-dependent spatial heterogeneity. We find that exposure to SARS-CoV-2 carriers was significantly more likely to occur in “patchy” parts of the city, where the urban landscape is characterized by high levels of spatial heterogeneity at relatively small, tens of meters scales. We suggest that this spatial association reflects a scale-dependent constraint imposed by the city’s morphology on the cumulative behavior of the people inhabiting it. The presented results shed light on the complex interrelationships between humans and the urban landscape in which they live and interact, and open new avenues for implementation of multi-satellite data in large scale modeling of phenomena centered in urban environments.
Biologically synthesized iron nanoparticles (FeNPs) from Phoenix dactylifera have anti-bacterial activities
Authors: Batool Faryal , Iqbal Muhammad Shahid , Khan Salah-Ud-Din , Khan Javed , Ahmed Bilal , Qadir Muhammad Imran
Published: November 2021

Nanotechnology is a vast field of science with the most vibrant and conspicuous applications. The green synthesis approach is cost-effective, eco-friendly, and produces the most stable metal-based nanoparticles without the use of toxic chemicals. This study presents the green synthesis of iron nanoparticles (FeNPs). For biosynthesis of FeNPs, Phoenix dactylifera extract was used as a reducing agent and iron sulfate heptahydrate (FeSO4·7H2O) was used as a substrate. FeNPs were characterized by different techniques including UV–Visible spectroscopy, Fourier transform infrared spectroscopy (FTIR), and nano zeta-sizer analysis. The antimicrobial activity of FeNPs synthesized by using an aqueous extract of Phoenix dactylifera was evaluated against Escherichia coli, Bacillus subtilis, Micrococcus leutus, and Klebsiella pneumoniae. A notable color change from yellow to black confirmed the synthesis of FeNPs. The sharp peak at 450 nm UV–Visible spectroscopy confirmed the synthesis of FeNPs. FTIR showed the presence of O–H and C=C stretching due to the presence of phenol and alkene functional groups. The average size of FeNPs was 6092 d.nm. The results of antimicrobial activity showed that FeNPs exhibit different potential against different bacterial strains with a maximum 25 ± 0.360 zone of inhibition against Escherichia coli. Thus, green synthesized FeNPs could be used as potential antimicrobial agents.
Structural evolution and phase transition mechanism of $$\hbox {MoSe}_2$$ under high pressure
Authors: Xiao Yifeng , He Shi , Li Mo , Sun Weiguo , Wu Zhichao , Dai Wei , Lu Cheng
Published: November 2021

$$\hbox {MoSe}_2$$

MoSe
2

is a layered transition-metal dichalcogenide (TMD) with outstanding electronic and optical properties, which is widely used in field-effect transistor (FET). Here the structural evolution and phase transition of $$\hbox {MoSe}_2$$

MoSe
2

under high pressure are systematically studied by CALYPSO structural search method and first-principles calculations. The structural evolutions of $$\hbox {MoSe}_2$$

MoSe
2

show that the ground state structure under ambient pressure is the experimentally observed P6$$_3$$

3

/mmc phase, which transfers to R3m phase at 1.9 GPa. The trigonal R3m phase of $$\hbox {MoSe}_2$$

MoSe
2

is stable up to 72.1 GPa, then, it transforms into a new P6$$_3$$

3

/mmc phase with different atomic coordinates of Se atoms. This phase is extremely robust under ultrahigh pressure and finally changes to another trigonal R-3m phase under 491.1 GPa. The elastic constants and phonon dispersion curves indicate that the ambient pressure phase and three new high-pressure phases are all stable. The electronic band structure and projected density of states analyses reveal a pressure induced semiconducting to metallic transition under 72.1 GPa. These results offer a detailed structural evolution and phase diagram of $$\hbox {MoSe}_2$$

MoSe
2

under high pressure, which may also provide insights for exploration other TMDs under ultrahigh pressure.
Evaluation of the reliability of lower extremity alignment measurements using EOS imaging system while standing in an even weight-bearing posture
Authors: Cho Byung Woo , Lee Tae-Ho , Kim Sungjun , Choi Chong-Hyuk , Jung Min , Lee Koo Yeon , Kim Sung-Hwan
Published: November 2021

This study aimed to analyze the reproducibility and reliability of the alignment parameters measured using the EOS image system in both limbs while standing with an even weight-bearing posture. Overall, 104 lower extremities in 52 patients were analyzed retrospectively. The patients stood with an even load over both lower extremities then rotated 15° in both directions. Two EOS images were acquired and 104 pairs of lower extremities were compared according to the position of the indexed lower extremities. Then, the inter-observer reliability of the EOS system and the inter-modality reliability between EOS and computed tomography (CT) were evaluated. Femoro-tibial rotation (FTR) and tibial torsion demonstrated a significant difference between the anterior and posterior positions of the indexed lower extremity. In the inter-observer reliability analysis, all values except for FTR and tibial torsion demonstrated good or very good reliability. In the anterior position, FTR demonstrated moderate, and tibial torsion demonstrated poor reliability. In the posterior position, both FTR and tibial torsion demonstrated poor reliability. In the reliability analysis between the three-dimensional (3D) EOS model and 3D CT images, all measurements of the femur demonstrated very good reliability, but measurements of the tibia did not. For the coronal and sagittal alignment parameters measured by the EOS 3D system with rotated standing posture, except for the measurement including tibial torsion., there were no significant difference for either position of the indexed extremities with high agreement between the observers as well as with the CT 3D model.
An organophotoredox-catalyzed redox-neutral cascade involving N-(acyloxy)phthalimides and allenamides: synthesis of indoles
Authors: Das Sanju , Azim Aznur , Hota Sudhir Kumar , Panda Satya Prakash , Murarka Sandip , De Sarkar Suman
Published: November 2021

An efficient visible organophotoredox-catalyzed redox-neutral radical cascade involving allenamides and alkyl N-(acyloxy)phthalimides allowing the synthesis of biologically important indole scaffolds is achieved.
Insights from density functional theory calculations into the effects of the adsorption and dissociation of water on the surface properties of zinc diphosphide (ZnP2) nanocrystals
Authors: Farkaš Barbara , Živković Aleksandar , Uahengo Veikko , Dzade Nelson Y. , de Leeuw Nora H.
Published: November 2021

The effects of hydration/hydroxylation on the surface structure, composition, stabilities, morphology, and electronic properties of β-ZnP2, an emerging absorber materials for photovoltaic applications is unravelled.
Localized surface plasmon resonances and electric field confinement in titanium carbide (Ti3C2) MXene nanoclusters
Authors: Mokkath Junais Habeeb
Published: November 2021

Two-dimensional metal carbides and nitrides, known as MXenes, are an emerging class of materials that are promising for a variety of applications.
Comprehensive assessment of CO2 methanation: which H2 production pathway is practicable for green methane production in terms of technical, economic, and environmental aspects?
Authors: Choe Changgwon , Lee Boreum , Kim Ayeon , Cheon Seunghyun , Lim Hankwon
Published: November 2021

The analytic hierarchy process was performed to determine the best alternative for green methane production based on the results of technical assessment, economic analysis, and life cycle assessment.
Adsorption behavior of Congo red on a carbon material based on humic acid
Authors: Wang An , Li Boyuan , Wang Yatong , Sun Xiaoran , Huang Zhanbin , Bian Simeng , Fan Kaili , Shang Hongzhou
Published: November 2021

Humic acid is used as an inexpensive starting material to prepare a strong adsorbent for the removal of Congo red from water.
2D Bismuth nanosheet arrays as efficient alkaline hydrogen evolution electrocatalysts
Authors: Yan Honglin , Li Pengfei , Liu Xiaoheng , Chen Shen-ming
Published: November 2021

Bismuth nanosheets were prepared using ethylene glycol, which exhibit low overpotential and show great potential in the field of hydrogen evolution reaction.
Macrocyclic vs. [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis
Authors: McCarney Eoin P. , McCarthy William J. , Lovitt June I. , Gunnlaugsson Thorfinnur
Published: November 2021

The synthesis of four 2,6-bis(1,2,3-triazol-4-yl)pyridine(btp) olefin based ligands 3, 4, 11 and 12 is described and their formation of macrocyclic products using ring closing metatheses (RCM) reactions rather than mechanically interlocked molecules.
Turbulence-induced clustering in compressible active fluids
Authors: Worlitzer Vasco M. , Ariel Gil , Be'er Avraham , Stark Holger , Bär Markus , Heidenreich Sebastian
Published: November 2021

A continuum model of compressible active polar fluids, incorporating typical characteristics of bacterial swarms, is analyzed. We identify a novel phase in which self-sustained turbulence continuously creates and destroys dense clusters.
Development, Validation, and Reliability of the Teacher-Reported Pediatric Voice Handicap Index
Authors: Yağcıoğlu Damlasu , Aydınlı Fatma Esen , Aslan Gizem , Kirazlı Meltem Ç. , Köse Ayşen , Doğan Nuri , Akbulut Sevtap , Yılmaz Taner , Özcebe Esra
Published: November 2021

Purpose:

The purpose of this study was to develop a novel teacher-reported pediatric voice outcome measure and to investigate its psychometric properties.

Method:

In the first stage, a new instrument, the Teacher-Reported Pediatric Voice Handicap Index (TRPVHI), was developed. After item generation, a panel of experts evaluated the items to assess the content validity. Subsequently, the final version of the preliminary instrument was applied to teachers of 306 children (57 dysphonic and 249 vocally healthy) between the ages of 4 and 11 years. Eventually, the construct validity, criterion-related validity, test–retest reliability, and internal consistency of the developed instrument were examined.

Results:

The items with a content validity ratio less than .8 were modified or removed, and accordingly, the preliminary version of the index was finalized. After the application of the preliminary version, item reduction was made based on the factor analysis. The index is composed of 27 questions and three subscales: Functional, Physical, and Emotional. A significant difference was observed between the dysphonic and vocally healthy children for the TRPVHI scores (
p
< .001). A positive moderate correlation was determined between the Pediatric Voice Handicap Index and TRPVHI scores. Correlation coefficients between the test and retest scores of the TRPVHI were in the range of .92–.98. Cronbach's alpha values computed to assess the internal consistency were in the range of .94–.98.

Conclusions:

The TRPVHI is the only valid and reliable teacher-reported outcome measure of the effects of voice disorders on children. It is anticipated that the deployment of the TRPVHI in conjunction with other subjective tools, both in the initial evaluation and the follow-up of the treatment results, will allow a better understanding of the physical, functional, and emotional effects of voice disorders on children. Furthermore, it can potentially lead further research to enable the use of the TRPVHI for screening purposes.
Numerical Study on the Effect of an Off-Surface Micro-Rod Vortex Generator Placed Upstream NACA0012 Aerofoil
Authors: Larabi Abderrahim , Pereira Michael , Ravelet Florent , Azzam Tarik , Oualli Hamid , Menfoukh Laiche , Bakir Farid
Published: November 2021

In this paper, 3D numerical simulations have been carried out to enhance the understanding of a flow over a passive control device composed of micro cylinder with, d/c = 1.34% placed in the vicinity of NACA0012 aerofoil wing, by means of γ–Reθt transition sensitive turbulence model meant to predict the separation induced by transition achieved for aerofoils operating at moderate Reynolds number (Re = 4.45×105). Results show that the separation of the boundary layer has been eliminated by the passive static vortex generator at stall regime due to the injection of free-stream momentum to the boundary layer. The early transition to turbulent state overcomes the local flow deceleration of an adverse pressure gradient and remains sticked to the wall the boundary layer. Furthermore, the wing aerodynamic performance are improved as drag is reduced and lift is enhanced which is straight forward linked to the lift to drag ratio gain that varies from 22.68% to 134.17% at post stall angles of attack.
Numerical investigation of stall characteristics for winglet blade of a horizontal axis wind turbine
Authors: Verma Shalini , Paul Akshoy Ranjan , Jain Anuj , Alam Firoz
Published: November 2021

Wind energy is one of the renewable energy resources which is clean and sustainable energy and the wind turbine is used for harnessing energy from the wind. The blades are the key components of a wind turbine to convert wind energy into rotational energy. Recently, wingtip devices are used in the blades of horizontal axis wind turbine (HAWT), which decreases the vortex and drag, while increases the lift and thereby improve the performance of the turbine. In the present study, a winglet is used at the tip of an NREL phase VI wind turbine blade. Solidworks, Pointwise, and Ansys-Fluent are used for geometric modeling, computational grid generation, and CFD simulation, respectively. The computational result obtained using SST k-ω turbulence modeling is well validated with the experimental data of NREL at 5 and 7 m/s of wind speeds. Numerical investigation of stall characteristics is carried out for wingleted blade at higher turbulence intensity (21% and 25%) and angle of attack (00 to 300 at 50 intervals) at 7 m/s wind speed. The result found that wingletd blade delay stall to 150 for both the cases of turbulence intensity. Increasing the turbulence intensity increases the lift coefficient at stall angle but drag coefficient also increases and thus a lower aerodynamic performance (CL/CD ratio = 13) is obtained. Wingleted blade improves the performance as the intensity of vortices is smaller compared to baseline blade
Nonlocal Thermodynamics: Mathematical Model of Two-Dimensional Thermal Conductivity
Authors: Kuvyrkin George , Savelyeva Inga , Kuvshinnikova Daria
Published: November 2021

Nonlocal models of thermodynamics are becoming more and more popular in the modern world. Such models make it possible to describe materials with a complex structure and unique strength and temperature properties. Models of nonlocal thermodynamics of a continuous medium establish a relationship between micro and macro characteristics of materials. A mathematical model of thermal conductivity in nonlocal media is considered. The model is based on the theory of nonlocal continuum by A.K. Eringen. The interaction of material particles is described using local and nonlocal terms in the law of heat conduction. The nonlocal term describes the effect of decreasing the influence of the surrounding elements of the material structure with increasing distance. The effect of nonlocal influence is described using the standard non-locality function based on the Gaussian distribution. The nonlocality function depends on the distance between the elements of the material structure. The mathematical model of heat conduction in a nonlocal medium consists of an integro-differential heat conduction equation with initial and boundary conditions. A numerical solution to the problem of heat conduction in a nonlocal plate is obtained. The numerical solution of a two-dimensional problem based on the finite element method is described. The influence of nonlocal effects and material parameters on the thermal conductivity in a plate under highintensity surface heating is analyzed. The importance of nonlocal characteristics in modelling the thermodynamic behaviour of materials with a complex structure is demonstrated.
Augmented thermal performance in a non-uniform heat flux circular tube with twisted tape insert using hybrid nanofluid
Authors: Kumar Arvind , Dey Kunal , Bhattacharyya Suvanjan , Paul Akshoy Ranjan , Benim Ali Cemal , Vishwakarma Devendra Kumar , Huan Zhongjie
Published: November 2021

The influence of non-uniform heat transfer on a circular tube with a twisted tape insert using nanofluid (NF) is examined. The circular tube had an inner diameter 20 mm, with 0.5 mm thickness and 2 m of length. Wall heat flux conditions were examined for Reynolds number ranging from 5 000 to 25 000. Heat flux distribution included partial heating at different circumferential positions. Water was used as a base fluid, while single and multi-nano particles are used for simple and hybrid nanofluids (HNF). The goal of this study is to augment the thermal performance by incorporating non-uniform heating, using a twisted tape insert and by using nanoparticle of different volume fraction. NF act as a fluid additive and twisted tape act as a turbulence promoter and they enhance the heat transfer rate. However, major disadvantage in this investigation is the pressure drop incurred due to the twisted tape and NFs. Hence, a series of simulation are carried out to find out the optimum configuration of the set-up for which heat transfer will be enhanced with minimum pressure drop.
Isolation and identification of bacteria and parasites in glass eel (Anguilla spp.)
Authors: Andriyanto Septyan , Novita Hessy , Sumiati Tuti , Taukhid
Published: November 2021

The disease is the main agent that causes mortality of fish, especially during seed stages. The research aimed to find out bacteria and parasitic speciesin glass eel, Anguilla spp. Bacterial identification was carried out by a biochemical method. The prevalence of bacterial species was calculated using the El-Gohary et al. (2020) formula, while the results of bacterial identification from glass eel were Aeromonas spp., Vibrio spp., Enterococcus spp., Staphylococcus spp., Planococcus spp., Lactobacillus spp., Listeria spp., Citrbacterfreundii, Neisseria spp., Pseudomonas aeruginosa, Kurthia spp., Streptococcus spp., and Corynebacterium spp. It was found that the five highest prevalence rate was for Listeria spp. (39.64%), followed by Aeromonas spp. (26.13%), Staphylococcus spp. (16.22%), Corynebacterium spp. (5.41%), Lactobacillus spp. (2.70%), and the lowest prevalence rate was Streptococcus spp. (0.90%). The type of parasitic pathogen obtained was Trichodina spp. (2,70%), Dactylogyrus spp. (2,70%) and Gyrodactylus spp. (2,70%). Bacterial and parasites identified in glass eels need further verification on the epizootiology characteristic of each pathogenic agent.
Efficacy of inactive bivalent and trivalent Streptococcus agalactiae bacteria (biotype 1 & 2) vaccines on tilapia, Oreochromis niloticus
Authors: Taukhid  , Lusiastuti Angela M. , Andriyanto Septyan , Sugiani Desy , Sumiati Tuti , Suhermanto Achmad
Published: November 2021

Streptococcosis is a significant fish disease impacting tilapia culture in Indonesia, causing losses estimated up to IDR 15.0 billion annually. This study aims to assess the efficacy of bivalent and trivalent vaccines containing Streptococcus agalactiae bacteria on tilapia. The formula of the bivalent vaccine contains 75% of S01-196-16 and 25% of N14G isolates (v/v). Trivalent vaccine contains 30%, 35%, and 35% of N14G, NP1050, and SG01-16 isolates (v/v), respectively. A challenge test assessed the efficacy of the vaccines, and it was carried out at 30, 90, and 150 days post-vaccination by artificially infection at LD60. Selected bacteria isolate to be appointed in the challenge test are N14G (biotype 2) and S01-196-16 (biotype 1). Relative Percentage of Survival (RPS) was used as the main indicator of vaccine efficacy. The results revealed that the highest RPS of a bivalent vaccine against S. agalactiae (S01-196-16) was achieved at the first challenge (61.84%), and trivalent vaccine against S. agalactiae (N14G) and S. agalactiae (S01-196-16) was achieved at the first challenge (61.53% and 76.20%, respectively). Bivalent and trivalent S. agalactiae bacteria vaccines are promising “tools” to control streptococcosis on tilapia.
Homeopathy Deserves Its Own Scientific Identity
Authors: Rutten Lex
Published: November 2021

Ooit werd aangenomen dat wetenschappelijk onderzoek, met name het gerandomiseerde gecontroleerde onderzoek, erkenning zou geven aan de homeopathie. Het tegendeel gebeurde echter: ondanks bewijs, dat niet onderdoet voor conventioneel bewijs, is de oppositie nog nooit zo sterk geweest. De filosoof Kuhn voorspelde dit al: wetenschappelijke autoriteiten kunnen geen informatie accepteren die tegen hun basisovertuigingen (paradigma) indruist, omdat hun autoriteit juist van dat paradigma afhangt. Aan de andere kant ontdekken veel patiënten dat het conventionele medische paradigma onvolledig is en dat homeopathie het aanvult. Verwacht wordt dat de problemen met het huidige paradigma zullen toenemen, vooral vanwege antimicrobiële resistentie met betrekking tot infecties van de luchtwegen. Homeopathie kan in dit opzicht van grote waarde zijn. Er is ook een groeiend besef dat er geen tweedeling bestaat tussen doeltreffende en niet doeltreffende geneesmiddelen. De werking van een geneesmiddel is een waarschijnlijkheid die afhangt van meerdere variabelen. Tot nu toe is het verbeteren van de homeopathische manier van genezen in samenhang met wetenschappelijk onderzoek ondergewaardeerd. De toenemende belangstelling van de conventionele geneeskunde voor gepersonaliseerde geneeskunde en onderzoek naar prognostische factoren (PFR) is een uitstekende gelegenheid om het homeopathisch onderzoek te heroriënteren naar PFR.
Inversion of coherent surface scattering images via deep learning network
Authors: Kim Jong Woo , Cherukara Mathew J. , Tripathi Ashish , Jiang Zhang , Wang Jin
Published: November 2021

Coherent surface scattering imaging is a powerful tool for imaging a surface/interface of a thin nanostructure deposited on an opaque substrate. A mathematical conversion of an object image from a scattering pattern is essential for coherent surface scattering imaging to visualize structures of specimens. It has been achieved by using phase retrieval algorithms requiring oversampling in scattering patterns and employing alternating projection approaches. It is a computationally challenging and time-consuming process. In this paper, we demonstrate CSSI-NN, which is a deep learning neural network model to predict images of objects from scattering intensities in coherent surface scattering imaging. This model allowing for the instant outcome from scattering patterns would be tremendously beneficial not only for effective experiments but also for data analysis of phase retrieval.
The Cassie-to-Wenzel wetting transition of water films on textured surfaces with different topologies
Authors: He Xin , Zhang Ben-Xi , Wang Shuo-Lin , Wang Yi-Feng , Yang Yan-Ru , Wang Xiao-Dong , Lee Duu-Jong
Published: November 2021

The Cassie–Wenzel (C–W) wetting transition has been extensively investigated; however, the wetting transition of water films on textured surfaces with different topologies, together with underlining mechanisms, is unsatisfactorily explored. In this study, the C–W wetting transition of water films on pillar-arrayed and striped surfaces is studied. The results show that, on pillar-arrayed surfaces, the free energy variation during the C–W wetting transition follows the classical wetting pathway. The free energy first increases with the intrusion of water into the asperities and then decreases after a water film touches the basal surface. However, on striped surfaces, there exist multiple partial wetting states with each one occupying a local energy-minimization configuration. Accordingly, the water film needs to overcome multiple energy barriers to realize the C–W wetting transition. Moreover, the effects of aspect ratio and intrinsic wettability of the two textured surfaces on the C–W wetting transition are discussed.
An infrared study of antiferromagnetic medium and high entropy rocksalt structure oxides
Authors: Afsharvosoughi Tahereh , Crandles D. A.
Published: November 2021

The infrared reflectance of a set of antiferromagnetic entropy-stabilized rocksalt structure oxides is measured in order to study the effect of a random array of cations, spin–phonon coupling, and anharmonicity on phonon mode behavior. Samples were prepared by conventional solid state reaction from quaternary or quinary equimolar mixtures of CoO, ZnO, CuO, NiO, and MgO. They were characterized by magnetometry, x-ray diffraction, and reflectance spectroscopy. It is found that the Néel temperature (TN) depends on the concentration of magnetic ions. The far-infrared reflectance spectra consist of one strong reststrahlen band and a weaker low frequency band, which is unexpected in a rocksalt structure. The resonance frequency of the main transverse optical (ωTO) mode varies between 355<ωTO<386 cm−1 and is controlled by both the average reduced mass of a cation–anion pair and the average effective charge. Unlike the parent compounds CoO and NiO, no splitting of ωTO due to spin–phonon coupling appeared in the reflectance spectra below TN. This is possibly due to the high scattering rate of the associated transverse optical mode, which is connected to static disorder.
Thermoelastic modeling of laser-induced generation of strong surface acoustic waves
Authors: Shugaev Maxim V. , Zhigilei Leonid V.
Published: November 2021

Short pulse laser irradiation of a substrate can generate pulses of surface acoustic waves (SAWs) capable of propagating long distances along the surface of the irradiated substrate. In this work, we use thermoelastic modeling of the generation of SAWs on a Si substrate to explore the effect of irradiation parameters, i.e., pulse duration, laser spot size, absorption depth, and spatial profile of the laser energy deposition, on the strength of the SAWs. A particular goal of this study is to establish the optimum conditions for maximizing the strength of the surface waves generated in the nonablative, thermoelastic irradiation regime. The simulations demonstrate that the highest strain amplitude of the laser-generated SAWs can be achieved for a laser spot size comparable to the characteristic length of the SAW propagation during the laser pulse. The amplitude of SAWs increases with the increase in the characteristic laser energy deposition depth, and laser pulses with sharper spatial energy deposition profiles (flat-top laser beams) produce stronger SAWs. For the optimal set of irradiation parameters, the strain amplitude of a SAW generated in Si in the thermoelastic regime can reach the levels of 10−4–10−3, which are sufficiently high for causing nonlinear sharpening of the wave profile and the formation of a shock front during the wave propagation from the laser spot. The computational predictions suggest the feasibility of a continuous generation of strong nonlinear pulses of SAWs, which may be utilized for driving the surface processes in thin film deposition, growth of two-dimensional materials, heterogeneous catalysis, and other applications.
Effect of oxidation on excited state dynamics of neutral TinO2n−x (n < 10, x < 4) clusters
Authors: Garcia Jacob M. , Heald Lauren F. , Shaffer Ryan E. , Sayres Scott G.
Published: November 2021

Excited state lifetimes of neutral titanium oxide clusters (TinO2n−x, n < 10, x < 4) were measured using a sequence of 400 nm pump and 800 nm probe femtosecond laser pulses. Despite large differences in electronic properties between the closed shell stoichiometric TinO2n clusters and the suboxide TinO2n−x (x = 1–3) clusters, the transient responses for all clusters contain a fast response of 35 fs followed by a sub-picosecond (ps) excited state lifetime. In this non-scalable size regime, subtle changes in the sub-ps lifetimes are attributed to variations in the coordination of Ti atoms and localization of charge carriers following UV photoexcitation. In general, clusters exhibit longer lifetimes with increased size and also with the addition of O atoms. This suggests that the removal of O atoms develops stronger Ti–Ti interactions as the system transitions from a semiconducting character to a fast metallic electronic relaxation mechanism.
Radiolabelled Peptides: Optimal Candidates for Theranostic Application in Oncology
Authors: Hall Andrew J. , Haskali Mohammad B.
Published: November 2021

Theranostics are drugs suitable for use in both diagnostic and therapeutic applications, and have played an important role in the advancement of modern nuclear medicine. This review explains key elements that are common to successful theranostics and highlights significant developments in the field, including our own. Specific focus is given to peptides and those features that make them most suitable for theranostic application, as well as some key radioisotopes owing to their favourable properties and high clinical utility. This report provides an overview of the techniques at the researcher’s disposal, how they have been applied to current clinically significant targets, and how they might be used and improved upon for future targets.
Estimating experienced racial segregation in US cities using large-scale GPS data
Authors: Athey Susan , Ferguson Billy , Gentzkow Matthew , Schmidt Tobias
Published: November 2021

Significance

Racial segregation shapes key aspects of a healthy society, including educational development, psychological well-being, and economic mobility. As such, a large literature has formed to measure segregation. Estimates of racial segregation often rely on assumptions of uniform interaction within some fixed time and geographic space despite the dynamic nature of urban environments. We leverage Global Positioning System data to estimate a measure of segregation that relaxes these strict assumptions. Experienced segregation according to our measure is substantially lower than standard measures would suggest. By decomposing segregation by functions of a city, like entertainment, restaurants, and retail, we facilitate targeted policy making where segregation matters most.
A stem-loop RNA RIG-I agonist protects against acute and chronic SARS-CoV-2 infection in mice
Authors: Mao Tianyang , Israelow Benjamin , Lucas Carolina , Vogels Chantal B.F. , Gomez-Calvo Maria Luisa , Fedorova Olga , Breban Mallery I. , Menasche Bridget L. , Dong Huiping , Linehan Melissa ,   Yale SARS-CoV-2 Genome Surveillance Initiative, Alpert Tara , Anderson F. Brito , Earnest Rebecca , Fauver Joseph R. , Kalinich Chaney C. , Munyenyembe Ketty , Ott Isabel M. , Petrone Mary E. , Rothman Jessica , Watkins Anne E. , Wilen Craig B. , Landry Marie L. , Grubaugh Nathan D. , Pyle Anna M. , Iwasaki Akiko
Published: November 2021

As SARS-CoV-2 continues to cause morbidity and mortality around the world, there is an urgent need for the development of effective medical countermeasures. Here, we assessed the antiviral capacity of a minimal RIG-I agonist, stem-loop RNA 14 (SLR14), in viral control, disease prevention, post-infection therapy, and cross-variant protection in mouse models of SARS-CoV-2 infection. A single dose of SLR14 prevented viral infection in the lower respiratory tract and development of severe disease in a type I interferon (IFN-I)–dependent manner. SLR14 demonstrated remarkable prophylactic protective capacity against lethal SARS-CoV-2 infection and retained considerable efficacy as a therapeutic agent. In immunodeficient mice carrying chronic SARS-CoV-2 infection, SLR14 elicited near-sterilizing innate immunity in the absence of the adaptive immune system. In the context of infection with variants of concern (VOCs), SLR14 conferred broad protection against emerging VOCs. These findings demonstrate the therapeutic potential of SLR14 as a host-directed, broad-spectrum antiviral for early post-exposure treatment and treatment of chronically infected immunosuppressed patients.
Liquid-crystal-based floating-electrode-free coplanar waveguide phase shifter with an additional liquid-crystal layer for 28-GHz applications
Authors: Ma Jun-Seok , Choi Jin-Young , Oh Seung-Won , Kim Wook-Sung
Published: November 2021

A liquid-crystal (LC)-based floating electrode-free (FE-free) coplanar waveguide (CPW) phase shifter with an additional LC layer is demonstrated for the first time. An LC layer is overlain on the electrodes of the original model; this change increases the amount of electric flux that the proposed structure can confine in the tunable region, and thereby greatly increases the figure-of-merit (FoM) while maintaining the benefits of the simple coplanar structure. We simulated the variations in the phase shifter’s FoM, characteristic impedance, and driving voltage while sweeping the additional LC layer thickness up to 300 μm with each electrode condition at 28 GHz. In the case of electrode thickness variation, the FoM increased as electrode thickness increased, regardless of the presence of the additional LC layer. However, in the case of the signal electrode width variation, we obtained an opposite FoM tendency depending on the presence of the additional LC layer. This work shows the possibility of an efficient LC-based FE-free CPW phase shifter design for a given LC layer and electrode conditions.
Stability of

Z2

configurations in 3D
Authors: Bétermin Laurent , Friedrich Manuel , Stefanelli Ulisse
Published: November 2021

Inspired by the issue of stability of molecular structures, we investigate the strict minimality of point sets with respect to configurational energies featuring two- and three-body contributions. Our main focus is on characterizing those configurations which cannot be deformed without changing distances between first neighbours or angles formed by pairs of first neighbours. Such configurations are called angle-rigid. We tackle this question in the class of finite configurations in

Z

2

, seen as planar three-dimensional point sets. A sufficient condition preventing angle-rigidity is presented. This condition is also proved to be necessary when restricted to specific subclasses of configurations.
Model-based approach to investigate equipment-induced error in pressure-waveform derived hemodynamic measurements
Authors: Farahmand Masoud , Mirinejad Hossein , Scully Christopher G
Published: November 2021

Objective. Advanced hemodynamic monitoring systems have provided less invasive methods for estimating pressure-derived measurements such as pressure-derived cardiac output (CO) measurements. These devices apply algorithms to arterial pressure waveforms recorded via pressure recording components that transmit the pressure signal to a pressure monitor. While standards have been developed for pressure monitoring equipment, it is unclear how the equipment-induced error can affect secondary measurements from pressure waveforms. We propose an approach for modelling different components of a pressure monitoring system and use this model-based approach to investigate the effect of different pressure recording configurations on pressure-derived hemodynamic measurements. Approach. The proposed model-based approach is a three step process. (1) Modelling the response of pressure recording components using bench tests; (2) verifying the identified models through nonparametric equivalence tests; and (3) assessing the effects of pressure recording components on pressure-derived measurements. To delineate the application of this approach, we performed a series of model-based analyses to quantify the combined effect of a wide range of tubing configurations with various damping ratios and natural frequencies and monitors with different bandwidths on pressure waveforms and CO measurements by six pulse contour algorithms. Results. Model-based results show the error in pressure-derived CO measurements because of tubing configurations with different natural frequencies and damping ratios. Tubing configurations with low natural frequencies (<23 Hz) altered characteristics of pressure waveforms in a way that affected the CO measurement, some by as much as 20%. Significance. Our method can serve as a tool to quantify the performance of pressure recording systems with different dynamic properties. This approach can be applied to investigate the effects of physiologic signal recording configurations on various pressure-derived hemodynamic measurements.
Exploring nuclear photonics with a laser driven neutron source
Authors: Lan Zechen , Yogo Akifumi
Published: November 2021

Neutron beams have been providing indispensable tools for a wide range of fields in modern science and engineering. Recently, a new type of pulsed neutron source has been developed, known as laser-driven neutron source (LDNS). The LDNSs utilize laser-accelerated ions, including protons and deuterons as a primary beam and generate neutrons from a secondary target (lithium, beryllium, etc) via a nuclear reaction. Applying an additional moderator part, LDNSs can provide a broad energy range of neutrons (meV ∼ MeV). This paper aims to introduce the current status of LDNS and the results of application-oriented experiments implemented at the Institute of Laser Engineering (ILE) of Japan.
Reliability analysis of cost-efficient CH3NH3PbI3 based dopingless tunnel FET
Authors: Sharma Preeti , Madan Jaya , Pandey Rahul , Sharma Rajnish
Published: November 2021

Electrostatically-doped TFETs (ED-TFETs) are amongst the most widely used cost-efficient steeper devices due to the use of charge-plasma technique and tunneling mechanism. However, the reliability analysis of ED-TFETs is considered an important concern for the research community. Most studies have only focused on improving the performance of ED-TFETs such as dopingless (DL)-TFET in terms of on-current (I
ON), subthreshold swing (SS) and threshold voltage (V
th), rather than investigating the reliability issues. In this context, the aim of our work is to investigate the reliability analysis of our previously reported methyl-ammonium lead tri-iodide materials based DL-TFET (MAPbI3-DL-TFET). The influence of interface trap charges, shallow and deep defects on the electrical and analog performance of MAPbI3-DL-TFET has been analyzed using the Silvaco ATLAS tool at room temperature. Extensive results produced show that deep-level (Gaussian) defects impact the performance of the device prominently while the tail defects affect the device performance insignificantly. The present findings showed that the donor/acceptor trap charges impact the device in the subthreshold region considerably, while in the superthreshold region the impact of trap charges is marginal. In our view, these results emphasize the reliability analysis of MAPbI3-DL-TFET for the very first time. We hope that our research will be useful and valuable for DL-TFET manufacturers.
As good as it gets: a scaling comparison of DNA computing, network biocomputing, and electronic computing approaches to an NP-complete problem
Authors: Sudalaiyadum Perumal Ayyappasamy , Wang Zihao , Ippoliti Giulia , van Delft Falco C M J M , Kari Lila , Nicolau Dan V
Published: November 2021

All known algorithms to solve nondeterministic polynomial (NP) complete problems, relevant to many real-life applications, require the exploration of a space of potential solutions, which grows exponentially with the size of the problem. Since electronic computers can implement only limited parallelism, their use for solving NP-complete problems is impractical for very large instances, and consequently alternative massively parallel computing approaches were proposed to address this challenge. We present a scaling analysis of two such alternative computing approaches, DNA computing (DNA-C) and network biocomputing with agents (NB-C), compared with electronic computing (E-C). The Subset Sum Problem (SSP), a known NP-complete problem, was used as a computational benchmark, to compare the volume, the computing time, and the energy required for each type of computation, relative to the input size. Our analysis shows that the sequentiality of E-C translates in a very small volume compared to that required by DNA-C and NB-C, at the cost of the E-C computing time being outperformed first by DNA-C (linear run time), followed by NB-C. Finally, NB-C appears to be more energy-efficient than DNA-C for some types of input sets, while being less energy-efficient for others, with E-C being always an order of magnitude less energy efficient than DNA-C. This scaling study suggest that presently none of these computing approaches win, even theoretically, for all three key performance criteria, and that all require breakthroughs to overcome their limitations, with potential solutions including hybrid computing approaches.
Collective amplification of nearby nanoparticles in the Coulomb blockade restricted charging of a single nanoparticle
Authors: Chatelain Baptiste , El Barraj Ali , Badie Clémence , Santinacci Lionel , Barth Clemens
Published: November 2021

The characterization of charges in oxide supported metal nanoparticles (NP) is of high interest in research fields like heterogeneous catalysis and microelectronics. A general desire is to manipulate the charge of an oxide supported single NP and to characterize afterwards the charge and its interference with the insulating support but also with nearby NPs in the vicinity. By using noncontact AFM (nc-AFM) and Kelvin probe force microscopy (KPFM) in ultra-high vacuum and at room temperature we show that a ∼5 nm small AuNP can be directly charged with electrons by the AFM tip and that upon the charging, nearby AuNPs sensitively change their electrostatic potential with a large impact on the charge detection by nc-AFM and KPFM. The AuNPs are supported on a 40 nm thick insulating Al2O3 film, which is grown by atomic layer deposition on Si(001). Due to Coulomb blockades, the NP charging appears in the form of large and discrete peaks in detuning versus bias voltage curves. Finite element method calculations reveal that the large peaks can only be observed when the potentials of nearby insulated NPs get modified by the NP’s electron charge, according to the electrostatic induction principle. In view of the number of transferred electrons, we anticipate that after the charging, the electrons are transferred from the AuNP to the NP-Al2O3 interface or into Al2O3 subsurface regions directly underneath.
Clustering in massive neutrino cosmologies via Eulerian Perturbation Theory
Authors: Aviles Alejandro , Banerjee Arka , Niz Gustavo , Slepian Zachary
Published: November 2021

We introduce an Eulerian Perturbation Theory to study the clustering of tracers for cosmologies in the presence of massive neutrinos. Our approach is based on mapping recently-obtained Lagrangian Perturbation Theory results to the Eulerian framework. We add Effective Field Theory counterterms, IR-resummations and a biasing scheme to compute the one-loop redshift-space power spectrum. To assess our predictions, we compare the power spectrum multipoles against synthetic halo catalogues from the QUIJOTE simulations, finding excellent agreement on scales k ≲ 0.25 h Mpc-1. One can obtain the same fitting accuracy using higher wave-numbers, but then the theory fails to give a correct estimation of the linear bias parameter. We further discuss the implications for the tree-level bispectrum. Finally, calculating loop corrections is computationally costly, hence we derive an accurate approximation wherein we retain only the main features of the kernels, as produced by changes to the growth rate. As a result, we show how FFTLog methods can be used to further accelerate the loop computations with these reduced kernels.
Reanalysis-driven simulations may overestimate persistent contrail formation by 100%–250%
Authors: Agarwal Akshat , Meijer Vincent R , Eastham Sebastian D , Speth Raymond L , Barrett Steven R H
Published: November 2021

Model-based estimates of aviation’s climate impacts have found that contrails contribute 36%–81% of aviation’s instantaneous radiative forcing. These estimates depend on the accuracy of meteorological data provided by reanalyses like ECMWF Reanalysis 5th Generation (ERA5) and Modern Era Retrospective analysis for Research and Applications V2 (MERRA-2). Using data from 793 044 radiosondes, we find persistent contrails forming at cruise altitudes in 30° N–60° S are overestimated by factors of 2.0 and 3.5 for ERA5 and MERRA-2, respectively. Seasonal and inter-annual trends are well-reproduced by both models (R2 = 0.79 and 0.74). We also find a contrail lifetime metric is overestimated by 17% in ERA5 and 45% in MERRA-2. Finally, the reanalyses incorrectly identify individual regions that could form persistent contrails 87% and 52% of the time, respectively. These results suggest that contrail models currently overestimate the number and lifetime of persistent contrails. Additional observations are needed for future models in order to provide locally accurate estimates of contrails or to support mitigation strategies.