bluuebunny/crossref_metadata_2025 huggingface dataset:
Atomic radiative data for oxygen and nitrogen for solar photospheric studies
Authors: Bautista Manuel A. , Bergemann Maria , Gallego Helena Carvajal , Gamrath Sébastien , Palmeri Patrick , Quinet Pascal
Published: July 2022

Aims. Our recent reanalysis of the solar photospheric spectra with non-local thermodynamic equilibrium (non-LTE) models resulted in higher metal abundances compared to previous works. When applying the new chemical abundances to standard solar model calculations, the new composition resolves the long-standing discrepancies with independent constraints on the solar structure from helioseismology.

Methods. Critical to the determination of chemical abundances is the accuracy of the atomic data, especially the f values, used in the radiative transfer models. Here we describe, in detail, the calculations of f values for neutral oxygen and nitrogen used in our non-LTE models.

Results. Our calculations of f values are based on a multi-method, multi-code approach and they are the most detailed and extensive of its kind for the spectral lines of interest. We also report in this paper the details of an extensive R-matrix calculation of photoionization cross sections for oxygen.

Conclusions. Our calculation resulted in reliable f values with well-constrained uncertainties. We compare our results with previous theoretical and experimental determinations of atomic data. We also quantify the influence of adopted photoionization cross sections on the spectroscopic estimate of the solar O abundance, using data from different sources. We confirm that our 3D non-LTE value is robust and unaffected by the choice of photoionization data, contrary to the recent claim made by Nahar.
First light of BEaTriX, the new testing facility for the modular X-ray optics of the ATHENA mission
Authors: Basso S. , Salmaso B. , Spiga D. , Ghigo M. , Vecchi G. , Sironi G. , Cotroneo V. , Conconi P. , Redaelli E. , Bianco A. , Pareschi G. , Tagliaferri G. , Sisana D. , Pelliciari C. , Fiorini M. , Incorvaia S. , Uslenghi M. , Paoletti L. , Ferrari C. , Lolli R. , Zappettini A. , del Rio M. Sanchez , Parodi G. , Burwitz V. , Rukdee S. , Hartner G. , Müller T. , Schmidt T. , Langmeier A. , Della Monica Ferreira D. , Massahi S. , Gellert N. C. , Christensen F. , Bavdaz M. , Ferreira I. , Collon M. , Vacanti G. , Barrière N. M.
Published: July 2022

Aims. The Beam Expander Testing X-ray facility (BEaTriX) is a unique X-ray apparatus now operated at the Istituto Nazionale di Astrofisica (INAF), Osservatorio Astronomico di Brera (OAB), in Merate, Italy. It has been specifically designed to measure the point spread function (PSF) and the effective area (EA) of the X-ray mirror modules (MMs) of the Advanced Telescope for High-ENergy Astrophysics (ATHENA), based on silicon pore optics (SPO) technology, for verification before integration into the mirror assembly. To this end, BEaTriX generates a broad, uniform, monochromatic, and collimated X-ray beam at 4.51 keV. The beam collimation is better than a few arcseconds, ensuring reliable tests of the ATHENA MMs, in their focus at a 12 m distance.

Methods. In BEaTriX, a micro-focus X-ray source with a titanium anode is placed in the focus of a paraboloidal mirror, which generates a parallel beam. A crystal monochromator selects the 4.51 keV line, which is expanded to the final size by a crystal asymmetrically cut with respect to the crystalline planes. An in-house-built Hartmann plate was used to characterize the X-ray beam divergence, observing the deviation of X-ray beams from the nominal positions, on a 12-m-distant CCD camera. After characterization, the BEaTriX beam has the nominal dimensions of 170 mm × 60 mm, with a vertical divergence of 1.65 arcsec and a horizontal divergence varying between 2.7 and 3.45 arcsec, depending on the monochromator setting: either high collimation or high intensity. The flux per area unit varies from 10 to 50 photons s−1 cm−2 from one configuration to the other.

Results. The BEaTriX beam performance was tested using an SPO MM, whose entrance pupil was fully illuminated by the expanded beam, and its focus was directly imaged onto the camera. The first light test returned a PSF and an EA in full agreement with expectations. As of today, the 4.51 keV beamline of BEaTriX is operational and can characterize modular X-ray optics, measuring their PSF and EA with a typical exposure of 30 min. Another beamline at 1.49 keV is under development and will be integrated into the current equipment. We expect BEaTriX to be a crucial facility for the functional test of modular X-ray optics, such as the SPO MMs for ATHENA.
Ir-Catalyzed α-Alkylation of Ketones with Alcohols: One-Step Access to Donepezil
Authors: Wang Sen , Miao Rui , Ouyang Lu , Xia Yanping , Wei Yifei , Luo Renshi
Published: July 2022

We demonstrate an iridium-catalyzed alkylation of ketones with alcohols, which enables one-step access to donepezil, cyclic ketones, and linear ketones in high yields. A scale-up experiment shows the excellent practicability of this protocol. Comparative experiments show that a small amount of water is beneficial to the improvement of product yield.
Endophthalmitis: Ursachen, Erreger, Therapie und Visusverlauf mit Fokus auf Glaukompatienten
Authors: Vorbeck Julia , Hohberger Bettina , Bergua Antonio
Published: July 2022

Hintergrund Endophthalmitiden stellen einen der schwerwiegendsten Notfälle in der Ophthalmologie dar. Um deren Prävalenz zu minimieren, ist eine möglichst genaue Kenntnis auslösender
Faktoren von Bedeutung. Eine chirurgische Therapie mit gezielter, erregerspezifischer Medikation und ein intaktes Immunsystem sind die Basis für den Visuserhalt. Ferner stellt sich die
Frage, ob anhand zugrunde liegender Erkrankungen am Auge ein ungünstiger Verlauf prognostiziert werden kann, sodass ein Vergleich zwischen Glaukom- (G) und Nichtglaukompatienten (NG) im
Hinblick auf ursächliche Faktoren, Erreger, Therapie und Visusverlauf gezogen wurde. Da bei Glaukompatienten eine potenzielle Alteration des lokalen Immunsystems diskutiert wird, ist von
Interesse, ob sich die klinischen Verläufe einer Endophthalmitis von Nichtglaukompatienten unterscheiden.

Patienten und Methoden Es handelt sich um eine retrospektive Analyse von 75 Augen (13 G, 62 NG), die in einem 5-Jahres-Zeitraum aufgrund einer Endophthalmitis an der Augenklinik des
Universitätsklinikums Erlangen-Nürnberg behandelt wurden. Auszuwertende Parameter waren u. a. das klinische Bild, operative und medikamentöse Behandlungen, das mikrobielle Spektrum und der
Visusverlauf bei Glaukom- sowie Nichtglaukompatienten.

Ergebnisse Bei Erstvorstellung dominierte bei allen Patienten eine akute Visusverschlechterung (44%) mit Vorderkammerreiz (62,7%), Hypopyon (52%) und reduziertem (40%) oder fehlendem
(26,7%) Funduseinblick. Vorangehende intraokularchirurgische Eingriffe wurden bei insgesamt 53,3% beobachtet, insbesondere Kataraktoperationen. In beiden Gruppen konnten grampositive Kokken
als häufigster Erreger identifiziert werden (G: 23,1%; NG: 38,7%), wohingegen seltene Keime nur bei Glaukompatienten vorkamen. Bei 76% aller Patienten wurde eine Pars-plana-Vitrektomie
durchgeführt, eine Enukleation bei 20%, Letzteres signifikant häufiger bei Glaukompatienten (p = 0,01). Postoperativ konnte eine signifikante Visusverbesserung bei Nichtglaukompatienten
erzielt werden (p < 0,001); im Direktvergleich stellte sich ein schlechteres visuelles Outcome bei glaukomatös vorerkrankten Augen dar.

Schlussfolgerung Stellt die Endophthalmitis eine sehr seltene Erkrankung dar, ist eine frühzeitige Diagnosestellung und Behandlung dennoch für die Prognose entscheidend. In der
vorliegenden Kohorte zeigt sich ein schlechterer Endvisus bei Glaukompatienten als bei Nichtglaukompatienten.
Osteoblast Viability of Liquid Smoke Rice Hull and Nanoparticles Form as Periodontitis Treatment
Authors: Arundina Ira , Diyatri Indeswati , Juliastuti Wisnu S. , Budhy Theresia I. , Surboyo Meircurius D. C. , Iskandar Benni , Ramaniasari Sheryn M. , Moelyanto Azzahra S. A. , Saputra Gustiadi
Published: July 2022

Objective Rice husk liquid smoke nanoparticles have the potential to be developed as a drug because they have anti-inflammatory effects that can modulate the process of osteoblast stimulation through osteoblast stimulation by thorough small size and enter cells easily. The osteoblast is the key of alveolar regeneration in periodontitis treatment. This present study analyzed the differences of liquid smoke rice husk and nanoparticles of liquid smoke rice husk on osteoblast viability as periodontitis treatment

Materials and Methods The liquid smoke rice husk was obtained from the pyrolysis process. The nanoparticles were made with chitosan, maltodextrin, and difference of concentration of liquid smoke rice husk (such as 1, 2.5, 5, 7.5, 10, 12.5, 15, and 17.5%). The viability of osteoblast was analyzed by 2,5-diphenyl-2H-tetrazolium bromide (MTT) assay.

Statistical Analysis The data were analyzed using independent t-test to analyze the differences between liquid smoke rice husk and nanoparticles of liquid smoke rice husk, the significant was set a p<0.05.

Result The nanoparticles of liquid smoke rice husk showed higher osteoblast viability compared liquid smoke rice husk. The nanoparticles' concentration of 5, 7.5, and 10% showed higher osteoblast viability compared liquid smoke rice husk (p = 0.002, 0.000, and 0.001, respectively).

Conclusion The nanoparticles of liquid smoke rice husk showed higher viability of osteoblast. This confirmed that the nanoparticles were able to reduce the toxicity in the higher concentration of liquid smoke of rice husk.
10.18 Benzo[c]phospholes
Authors: Aitken R. A.
Published: July 2022

This chapter is a complete revision and update of the earlier Science of Synthesis contribution from 2000 describing methods for the synthesis of benzo[c]phospholes. A third of the references describe newer methods reported between 2000 and 2021 and several completely new approaches are included. Synthetic strategies for preparing these ring systems include metal-mediated reactions of 2,2′-bis(arylalkynyl)biaryls with phosphorus dihalides, reaction of ortho-disubstituted benzenes with phosphorus compounds, and aromatization of dihydrobenzo[c]phospholes.
10.20 Phosphorus Analogues of Indolizines
Authors: Aitken R. A.
Published: July 2022

This chapter is a complete revision and update of the earlier Science of Synthesis contribution from 2000 describing methods for the synthesis of phosphorus analogues of indolizines. The previous route to this rare ring system, reaction of a phosphole with dimethyl acetylenedicarboxylate, has now been joined by a metathesis-based method leading to the parent dibenzophosphindolizine and its chalcogen derivatives.
COVID-19: a gray swan’s impact on the adoption of novel medical technologies
Authors: Dunlap Denise R. , Santos Roberto S. , Lilly Craig M. , Teebagy Sean , Hafer Nathaniel S. , Buchholz Bryan O. , McManus David D.
Published: July 2022

The COVID-19 pandemic offers a unique context and opportunity to investigate changes in healthcare professional perceptions towards the adoption of novel medical technologies, such as point-of-care technologies (POCTs). POCTs are a nascent technology that has experienced rapid growth as a result of COVID-19 due to their ability to increase healthcare accessibility via near-patient delivery, including at-home. We surveyed healthcare professionals before and during COVID-19 to explore whether the pandemic altered their perceptions about the usefulness of POCTs. Our network analysis method provided a structure for understanding this changing phenomenon. We uncovered that POCTs are not only useful for diagnosing COVID-19, but healthcare professionals also perceive them as increasingly important for diagnosing other diseases, such as cardiovascular, endocrine, respiratory, and metabolic diseases. Healthcare professionals also viewed POCTs as facilitating the humanization of epidemiology by improving disease management/monitoring and strengthening the clinician-patient relationship. As the accuracy and integration of these technologies into mainstream healthcare delivery improves, hurdles to their adoption dissipate, thereby encouraging healthcare professionals to rely upon them more frequently to diagnose, manage, and monitor diseases. The technological advances made in POCTs during COVID-19, combined with shifting positive perceptions of their utility by healthcare professionals, may better prepare us for the next pandemic.
Design and performance of a nano-Newton torsion balance
Authors: Kößling M. , Tajmar M.
Published: July 2022

Here, we present a novel torsion balance with a torsional spring that can reach a resolution in the nano-Newton range while allowing for a total experimental weight of 2 kg. The balance uses an off-the-shelf electromagnetic actuator, which was calibrated. The oscillation of the balance is damped using an adaptable eddy-current brake to fine-tune the damping factor. Experiments and electronics are controlled and powered through four coaxial liquid contacts. The balance is shown to be highly linear between 0.01 and 300 μN. After an automated post-processing, the noise of a measurement was 1.0 nN, and an applied force of 10 nN had a calculated error of 11.9%.
Numerical study on a blast mitigation mechanism by a water droplet layer: Validation with experimental results, and the effect of the layer radius
Authors: Sugiyama Yuta , Tamba Takahiro , Ohtani Kiyonobu
Published: July 2022

This study explored the practicality of a two-phase flow model for water droplets in elucidating the blast mitigation mechanism of water droplets. To validate the model, the numerical data were compared with previous experimental results in terms of the evaporation of a single water droplet, and the interaction between the shock/blast waves and water droplets. Results of the validation confirmed good agreement and consistency between both data by combining the existing models for droplet breakup. Next, the blast-mitigation effect of water droplets sprayed around a high explosive was investigated, where the main parameter was the layer radius. A thicker layer further mitigated the blast wave, but there was a limit to the blast-mitigation effect when the layer radius was greater than a critical value. The high-temperature and high-pressure detonation products should interact with the water droplets, which absorb their momentum and energy. The critical layer radius was equivalent to the dispersion distance of the detonation products. To quantitatively understand the blast-mitigation mechanism of water droplets, the transferred energies by drag force, convective heat transfer, radiative heat transfer, and evaporation were computed. A strong correlation between the blast wave strength and the sum of transferred energies by the drag force and convective heat transfer was obtained in the case that the initial diameter of the water droplets was of the order of millimeters.
Method to determine the electron–ion temperature relaxation rate from test particle distributions
Authors: Bernstein David J. , Baalrud Scott D.
Published: July 2022

A method to calculate the electron–ion energy exchange rate from the forces on and velocities of an ensemble of test particles is described. The essence of the method is that the energy exchange rate is related to the covariance between the distribution of velocities of test particles and the forces acting on them. The energy exchange rate is related to the electron–ion temperature relaxation rate in the limit of a low test particle speed. A proof of concept is conducted with first-principles molecular dynamics simulations.
Simulations of nonradiative processes in semiconductor nanocrystals
Authors: Jasrasaria Dipti , Weinberg Daniel , Philbin John P. , Rabani Eran
Published: July 2022

The description of carrier dynamics in spatially confined semiconductor nanocrystals (NCs), which have enhanced electron–hole and exciton–phonon interactions, is a great challenge for modern computational science. These NCs typically contain thousands of atoms and tens of thousands of valence electrons with discrete spectra at low excitation energies, similar to atoms and molecules, that converge to the continuum bulk limit at higher energies. Computational methods developed for molecules are limited to very small nanoclusters, and methods for bulk systems with periodic boundary conditions are not suitable due to the lack of translational symmetry in NCs. This perspective focuses on our recent efforts in developing a unified atomistic model based on the semiempirical pseudopotential approach, which is parameterized by first-principle calculations and validated against experimental measurements, to describe two of the main nonradiative relaxation processes of quantum confined excitons: exciton cooling and Auger recombination. We focus on the description of both electron–hole and exciton–phonon interactions in our approach and discuss the role of size, shape, and interfacing on the electronic properties and dynamics for II–VI and III–V semiconductor NCs.
Preparation of high entropy alloys and application to catalytical water electrolysis
Authors: Zhang Quan , Zhang Shusheng , Luo Yang , Liu Qian , Luo Jun , Chu Paul K. , Liu Xijun
Published: July 2022

High entropy alloys are considered one of the major breakthroughs in alloying concepts. Their unique design concept and mixed entropy effects make the materials potentially valuable in many applications in various fields. This Research Update summarizes recent research progress on high entropy alloy catalysts in electrolytic water splitting. The definition and properties of high entropy alloys are described and the common preparation methods and organizational characteristics of high entropy alloys are discussed. The catalytic effects of high entropy alloys in water electrolysis are evaluated, and finally, the future development trend and application prospects of high entropy alloys are outlined.
Cis- and trans-binding influences in [NUO·(N2)n]+
Authors: Zhao Jing , Chi Chao-Xian , Meng Lu-Yan , Jiang Xue-Lian , Grunenberg Jörg , Hu Han-Shi , Zhou Ming-Fei , Li Jun , Schwarz W. H. Eugen
Published: July 2022

Uranium nitride-oxide cations [NUO]+ and their complexes with equatorial N2 ligands, [NUO·(N2)n]+ (n = 1–7), were synthesized in the gas phase. Mass-selected infrared photodissociation spectroscopy and quantum chemical calculations confirm [NUO·(N2)5]+ to be a sterically fully coordinated cation, with electronic singlet ground state of 1A1, linear [NUO]+ core, and C5v structure. The presence of short N–U bond distances and high stretching modes, with slightly elongated U–O bond distances and lowered stretching modes, is rationalized by attributing them to cooperative covalent and dative [ǀN≡U≡Oǀ]+ triple bonds. The mutual trans-interaction through flexible electronic U-5f6d7sp valence shell and the linearly increasing perturbation with increase in the number of equatorial dative N2 ligands has also been explained, highlighting the bonding characteristics and distinct features of uranium chemistry.
A meta-analysis of microarray data revealed hub genes and transcription factors involved in drought stress response in rice (
Authors: Soltanpour Sedigheh , Tarinejad AliReza , Hasanpur Karim , Majidi Mohammad
Published: July 2022

Although there are various studies attempted to clarify the genetic mechanism of plant response to drought stress that reduces crop yield, a meta-analysis can integrate the results of them to provide a better picture of the issue. Therefore, in this study, several microarray datasets of rice were meta-analysed under drought stress and normal condition using the R packages. Accordingly, differentially expressed genes (meta-DEGs) were identified. The results showed 643 and 677 upregulated and downregulated genes, respectively. The significant common Gene Ontology (GO) terms between the up- and downregulated genes were responses to abiotic stimulus, water deprivation, oxygen-containing compound and abscisic acid. The transcription factors (TF) survey showed that bHLH under drought stress activates up genes 42% more than down genes while bzip Homeodomain activates down genes 54% more than up genes. The hub downregulated genes obtained from this study were mainly related to photosynthesis and the hub upregulated genes were mainly related to stress tolerance which include heat shock proteins (HSPs), late embryogenesis abundant (LEAs), calmodulin-like protein (CML), phosphatase 2C (PP2Cs) and IAA genes. Moreover, this meta-analysis data were compared with other experimental data and the results confirmed the up and down expression of them. Our findings can provide novel insights into the molecular mechanism of rice (Oryza sativa L.) response to drought stress.
How interactions between wildfire and seasonal soil moisture fluxes drive nitrogen cycling in Northern Sierra Nevada forests
Authors: Brady Mary K. , Hanan Erin J. , Dickinson Matthew B. , Miesel Jessica R. , Wade Laura , Greenberg Jonathan
Published: July 2022

As wildfires become larger and more severe across western North America, it grows increasingly important to understand how they will affect the biogeochemical processes influencing ecosystem recovery. Soil nitrogen (N) cycling is a key process constraining recovery rates. In addition to its direct responses to fire, N cycling can also respond to other post-fire transformations, including increases or decreases in microbial biomass, soil moisture, and pH. To examine the short-term effects of wildfire on belowground processes in the northern Sierra Nevada, we collected soil samples along a gradient from unburned to high fire severity over 10  months following a wildfire. This included immediate pre- and post-fire sampling for many variables at most sites. While season and soil moisture did not substantially alter pH, microbial biomass, net N mineralisation, and nitrification in unburned locations, they interacted with burn severity in complex ways to constrain N cycling after fire. In areas that burned, pH increased (at least initially) after fire, and there were non-monotonic changes in microbial biomass. Net N mineralisation also had variable responses to wetting in burned locations. These changes suggest burn severity and precipitation patterns can interact to alter N cycling rates following fire.
NURR1 expression regulates retinal pigment epithelial–mesenchymal transition and age-related macular degeneration phenotypes
Authors: Yao Pei-Li , Parmar Vipul M. , Choudhary Mayur , Malek Goldis
Published: July 2022

Phenotypic variations in the retinal pigment epithelial (RPE) layer are often a predecessor and driver of ocular degenerative diseases, such as age-related macular degeneration (AMD), the leading cause of vision loss in the elderly. We previously identified the orphan nuclear receptor-related 1 (NURR1), from a nuclear receptor atlas of human RPE cells, as a candidate transcription factor potentially involved in AMD development and progression. In the present study we characterized the expression of NURR1 as a function of age in RPE cells harvested from human donor eyes and in donor tissue from AMD patients. Mechanistically, we found an age-dependent shift in NURR1 dimerization from NURR1-RXRα heterodimers toward NURR1-NURR1 homodimers in primary human RPE cells. Additionally, overexpression and activation of NURR1 attenuated TNF-α–induced epithelial-to-mesenchymal transition (EMT) and migration, and modulated EMT-associated gene and protein expression in human RPE cells independent of age. In vivo, oral administration of IP7e, a potent NURR1 activator, ameliorated EMT in an experimental model of wet AMD and improved retinal function in a mouse model that presents with dry AMD features, impacting AMD phenotype, structure, and function of RPE cells, inhibiting accumulation of immune cells, and diminishing lipid accumulation. These results provide insight into the mechanisms of action of NURR1 in the aging eye, and demonstrate that the relative expression levels and activity of NURR1 is critical for both physiological and pathological functions of human RPE cells through RXRα-dependent regulation, and that targeting NURR1 may have therapeutic potential for AMD by modulating EMT, inflammation, and lipid homeostasis.
Perfect stimulated Raman adiabatic passage with imperfect finite-time pulses
Authors: Dogra Shruti , Paraoanu Gheorghe Sorin
Published: July 2022

We present a well-tailored sequence of two Gaussian-pulsed drives that achieves perfect population transfer in stimulated Raman adiabatic passage. We give a theoretical analysis of the optimal truncation and relative placement of the Stokes and pump pulses. Further, we obtain the power and the duration of the protocol for a given pulse width. Importantly, the duration of the protocol required to attain a desired value of fidelity depends only logarithmically on the infidelity. Subject to optimal truncation of the drives and with reference to the point of fastest transfer, we obtain a new adiabaticity criteria, which is remarkably simple and effective.
Graphene quantum dot-sensitized GaP@ZnO nanocomposite for high-performance UV photodetectors
Authors: Wang Shuning , Zheng Maojun , Jiang Dongkai , Yuan Hao , Chen Hao , Fan Yunlong , Li Fanggang , Zhang Wenlan , Ma Li , Shen Wenzhong
Published: July 2022

Zinc oxide (ZnO) has the advantages of wide bandgap, rich resources, simple preparation, and environmental friendliness, which is a type of ultraviolet (UV) detector material with great potential for development. However, the complicated preparation processes and complex device structures limit the application of ZnO UV detectors. Therefore, in this study, a high-performance UV detector was successfully fabricated based on graphene quantum dot-sensitized GaP@ZnO nanocomposite (GQDs/GaP@ZnO) thin films deposited using a simple spin-coating method. The GQDs/GaP@ZnO device exhibits higher responsivity of 142.2 A W−1, excellent detectivity of 1.1 × 1012 Jones, and a higher external quantum efficiency of 4.85 × 104% under the conditions of 365 nm UV light (0.078 mW cm−2) and external voltage of 6 V. In addition, this study provides a new research method for the preparation of high-performance optoelectronic devices using the cumulative synergistic effect of material composites and surface modification.
Direct transformation of equilateral hexagonal Frank vacancy loops to stacking fault tetrahedra under thermal fluctuation
Authors: Xu Donghua , Wang Zhengming , Chang Tzu-Yi , Saini Jaskaran S , Chen Wei-Ying , Li Meimei , Zhu Yuanyuan
Published: July 2022

Stacking fault tetrahedra (SFTs) are highly interesting three-dimensional vacancy defects in quenched, plastically deformed or irradiated face-centered-cubic metals and have a significant impact on the properties and subsequent microstructural evolution of the materials. Their formation mechanism and stability relative to two-dimensional vacancy loops are still debated. Equilateral hexagonal Frank vacancy loops (faulted, sessile) observed in microscopy have been considered unable to directly transform to SFTs due to separation of Shockley partial dislocations as well as embryonic stacking faults. Here using sufficiently long (up to tens of nanoseconds) molecular dynamic simulations, we demonstrate that such a transformation can in fact take place spontaneously at elevated temperatures under thermal fluctuation, reducing potential energy of defected atoms by <0.05 eV/atom. The transformation becomes easier with increasing temperature or decreasing loop size.
Plane-based self-calibration and improvement of three-dimensional multi-beam laser scanning with two-axis-mirror
Authors: Liu Xiangfeng , Tong Xiaohua , Luan Kuifeng , Xu Weiming , Shu Rong
Published: July 2022

The geometry and calibration of three-dimensional multi-beam laser scanning (MBLS) is more difficult than single-beam laser scanning, especially for a one laser emitter and multiple laser-echo detection within the same optical path and scanning with a two-axis-mirror. This paper focuses on the influence of the main systematic errors upon the geometric imagery of the MBLS, and presents a plane-based self-calibration method to improve the geometric positioning. First, the model for geometric imaging and systematic errors for the MBLS is presented, and the adjustment of the plane-based self-calibration is developed. Second, the influence of systematic errors upon geometric imagery of the MBLS is simulated and conducted to find the main errors. Third, a strong network configuration based on planar calibration is addressed and implemented, and the improvement of accuracy is examined via qualitative and quantitative analysis. The results show that the rangefinder offset, horizontal direction circle index and vertical circle index are the main systematic errors. The accuracy of distance is corrected from 29.94 cm to 2.86 cm with an improvement of 86.89% for the plane-based calibration, and validation indicates that this is corrected from 25.47 cm to 5.60 cm with an improvement of 88.25%.
Design of ZIF-67 nanoflake derived NiCo-LDH/rGO hybrid nanostructures for aqueous symmetric supercapattery application under alkaline condition
Authors: Ghosh Tapan Kumar , Singh Deep Lata , Mishra Vineet , Sahoo Malaya K , Ranga Rao G
Published: July 2022

Well-defined polyhedral ZIF-67 metal-organic frameworks (MOFs) are usually synthesized using methanol as solvent. In this work, methanol is replaced with deionized water as a solvent to synthesize ZIF-67 MOFs with unique nanoflake morphology. The ZIF-67 nanoflakes are synthesized directly by in situ method on reduced graphene oxide (rGO) to obtain ZIF-67/rGO-x precursors which are further transformed into NiCo-layered double hydroxide nanocomposites (NiCo-LDH/rGO-x, x = 10, 30, 50 and 90 mg of rGO). The NiCo-LDH/rGO-x nanostructured composites are found to be excellent materials for battery type supercapacitor (supercapattery) applications. Among these samples, the NiCo-LDH/rGO-30 composite gives maximum specific capacity of 829 C g−1 (1658 F g−1) at a current density of 1 A g−1 and high rate capability. The as fabricated 2-electrode symmetric Swagelok device

NiCo
‐
LDH
/
rGO
‐
30

NiCo
‐
LDH
/
rGO
‐
3
0

delivered a high energy density of 49.2 Wh kg−1 and a power density of 4511 W kg−1, and enabled us to glow red, blue and white LED bulbs using three coin cells. The device can show good capacity retention even after 3000 continuous charge–discharge cycles. The NiCo-LDH/rGO-30 composite, in situ derived from ZIF-67 MOF in combination with optimal amount of rGO, is an excellent material to deliver both high energy density and high power density in supercapattery devices.
Fine modulation of the energy band strategy to control the carrier confinement capability of digital alloys
Authors: Cao Qingchen , Wu Yuyang , Zhao Yunhao , Xu Yingqiang , Niu Zhichuan , Shi Yi , Liu Yongsheng , Liu Xianhu , Zhang Xuefeng , Che Renchao
Published: July 2022

In this paper, a strategy to finely modulate the energy band structure to control the carrier confinement capability of digital alloys (DA) is proposed. Strain analysis shows that As and Sb atoms are exchanged within the AlAsSb DA. The bottom of the corrected potential well is low on the left and high on the right in the growth direction, resulting in a higher band offset of the AlSb potential barrier layer on the left side of the potential well than on the right side. The modulation of the band leads to a higher probability of electron tunneling in DA under the action of an electric field opposite to the growth direction. Conversely, it is difficult for the electrons to tunnel into the lower energy level potential wells. The I–V curve of DA shows that the current value under positive bias is significantly smaller than the value under negative bias when the voltage is higher. The measured results correspond perfectly with the modified energy band model, which verifies the feasibility of energy band modulation. This is important for the structural design of DA and the reduction of dark current in optoelectronic devices.
Impact of image quality on radiomics applications
Authors: Cui Yunfeng , Yin Fang-Fang
Published: July 2022

Radiomics features extracted from medical images have been widely reported to be useful in the patient specific outcome modeling for variety of assessment and prediction purposes. Successful application of radiomics features as imaging biomarkers, however, is dependent on the robustness of the approach to the variation in each step of the modeling workflow. Variation in the input image quality is one of the main sources that impacts the reproducibility of radiomics analysis when a model is applied to broader range of medical imaging data. The quality of medical image is generally affected by both the scanner related factors such as image acquisition/reconstruction settings and the patient related factors such as patient motion. This article aimed to review the published literatures in this field that reported the impact of various imaging factors on the radiomics features through the change in image quality. The literatures were categorized by different imaging modalities and also tabulated based on the imaging parameters and the class of radiomics features included in the study. Strategies for image quality standardization were discussed based on the relevant literatures and recommendations for reducing the impact of image quality variation on the radiomics in multi-institutional clinical trial were summarized at the end of this article.
GaAs nanocone array-based hybrid solar cells with excellent light-trapping capabilities and enhanced photogeneration rate
Authors: Prashant D V , Agnihotri Suneet Kumar , Samajdar Dip Prakash
Published: July 2022

III–V semiconductor nanostructures with subwavelength scale dimensions have demonstrated outstanding photon trapping and carrier transport characteristics, and may be coupled readily with organic polymers and cheap substrates to create hybrid solar cells (HSCs). In this work, we have presented a comprehensive optoelectronic study of Poly(3-hexylthiophene): [6,6]-phenyl C61-butyric acid methylester (P3HT:PCBM)/Gallium arsenide (GaAs) nanocone (NC) array based HSC and compared its overall performance with its organic counterpart and other nanostructure arrays. The proposed P3HT:PCBM/GaAs NC HSC has exhibited an average absorptance of 71.63% with a remarkable optical J
sc and generation rate of 24.21 mA cm−2 and 5.26 × 1028 cm−3s−1, respectively, which are highest among all the other structures. Additionally, we have presented the optical performance of the HSC for oblique incident conditions and reported that the proposed HSC can exhibit an average optical J
sc of 21.04 mA cm−2 when averaged over all angles of incidence. The electrical simulations reveal that, the proposed device can exhibit a power conversion efficiency of 17%, even at low carrier mobility (µ), lifetimes (τ), and high surface recombination velocity at contacts.
Free-standing single-helical woolen yarn artificial muscles with robust and trainable humidity-sensing actuation by eco-friendly treatment strategies
Authors: Peng Yangyang , Zhou Xingxing , Wu Jing , Sheng Nan , Yang Mengxin , Sun Fengxin
Published: July 2022

Twisted yarn artificial muscles have attracted great interests for diverse applications, such as soft robotics, miniaturization controllers and smart textiles. A challenging issue in fabricating the twisted yarn artificial muscles is to retain the inserted twist. Different from the exiting strategies of forming double-helical structures or harnessing complex chemical technologies, we herein propose a simple combination of plasma and UV-light treatments to train natural wools into twist-stable single-helical yarn artificial muscles without external torsional tethering, which realizes easy fabrication of twisted actuators, and achieves better moisture-actuating performance (nearly five times higher in maximum rotation) compared to equivalent double-helical actuators. The stable morphology of woolen yarn muscles affected by the opening and closing of disulfide bonds is explained from microstructure characterization and theoretical analysis. The charming properties of single-helical yarn muscles will provide new inspiration for the development of fiber-based actuators in industrial routines, which is expected to promote the practical application of yarn muscles in smart textiles and wider fields.
Electro-induced tensile deformation of over-braiding composite tube with carbon fiber reinforced shape memory polyurethane filament
Authors: Jiang Zhe , Chen Jingjing , Sun Baozhong , Gu Bohong , Zhang Wei
Published: July 2022

2D shape memory composite tubes, which has excellent flexibility and high durability, have been widely used in intelligent material design. Here we report fabrication of an over-braiding pure shape memory polyurethane (SMPU) and continuous carbon fiber reinforced SMPU (CCF/SMPU) braided tubes with different braided layers (L1, L2, L3). The dynamic thermomechanical behaviors, tensile properties, shape memory behaviors and tensile recovery forces had been investigated. Tensile shape recovery force was recorded to find effects of recovery temperature, applied voltage on the shape memory behaviors. We found that the tensile load, shape recovery ratio and recovery force increase with the braided layers increased. The maximum shape recovery ratio could be reached to 98.8% and shape recovery force of over-braiding CCF/SMPU composite tube was up to 14.825 N. The infilling of carbon fibers could improve the tensile strength and shape memory behaviors simultaneously. Such an effect could be benefit to explore applications of braided composite structures both with high strength and deformation recovery capacity.
Elementary excitations in a spin–orbit-coupled spin-1 Bose–Einstein condensate
Authors: Chen Yuanyuan , Lyu Hao , Xu Yong , Zhang Yongping
Published: July 2022

While a spin–orbit-coupled spin-1 Bose–Einstein condensate (BEC) has been experimentally observed, its elementary excitations remain unclear in the stripe phase. Here, we systematically study the elementary excitations in three distinct phases of a spin–orbit-coupled spin-1 BEC. We find that the excitation spectrum as well as the corresponding static response function and structure factor depend strongly on spin–orbit coupling parameters such as the quadratic Zeeman field and the Rabi frequency. In the stripe phase, besides two gapless Goldstone modes, we show the existence of roton excitations. Finally, we demonstrate that quantum phase transitions between these different phases including the zero-momentum, plane wave and stripe phases are characterized by the sound velocities and the quantum depletion.
Stable exploding wire plasma at times larger than electrical current presence
Authors: Prieto Gonzalo Rodríguez , Fernández Menéndez Luis Javier , Bilbao Luis , García Nerea Bordel
Published: July 2022

Copper gas produced with the exploding wire technique at times much larger than the total current lifetime has been explored, and its excitation temperature estimated from spectrographic data. It has been found that excitation temperature is stable for microseconds after the electrical current finish to flow and dependent only on charging voltage for the conditions of these experiments, with plasma spectra taken at instants more than 10 times longer than total electrical current discharge.
Quantum routing of few photons using a nonlinear cavity coupled to two chiral waveguides
Authors: Liu Jian-Shuang , Yang Ya , Lu Jing , Zhou Lan
Published: July 2022

We investigate few-photon scattering properties in two one-dimensional waveguides chirally coupled to a nonlinear cavity. The quantum states of scattered few photons are solved analytically via a real-space approach, and the solution indicates the few-photon reflection and transmission properties. When inputting two photons of equal energy to resonate with the cavity, the propagation characteristics of the two photons will be interesting, which is different from the previous anti-bunching effects with a quantum emitter. More importantly, when the total energy of the two incident photons equals the energy of a nonlinear cavity accommodating two photons, influence of the bound state will become larger to result in disappearance of antibunching effect. However, the bound state has no effect on probability of routing to another waveguide.
Application of the body of revolution finite-element method in a re-entrant cavity for fast and accurate dielectric parameter measurements
Authors: Feng Tianqi , Yu Chengyong , Li En , Shi Yu
Published: July 2022

In dielectrometry, traditional analytical and numerical algorithms are difficultly employed in complex resonant cavities. For a special kind of structure (a rotating resonant cavity), the body of revolution finite-element method (BOR-FEM) is employed to calculate the resonant parameters and dielectric parameters. In this paper, several typical resonant structures are selected for analysis and verification. Compared with the resonance parameter values in the literature and the simulation results of commercial software, the error of the BOR-FEM calculation is less than 0.9% and a single solution time is less than 1 s. Reentrant coaxial resonant cavities loaded with dielectric materials are analyzed using this method and compared with simulation results, showing good agreement. Finally, in this paper, the established BOR-FEM method is successfully applied with a machined cavity for the accurate measurement of the complex dielectric constant of dielectric materials. The test specimens were machined from polytetrafluoroethylene, fused silica and Al2O3, and the test results showed good agreement with the literature reference values.
Evaluation of mechanical and corrosion properties of TiB2-Y2O3 nanocomposite fused bronze metal matrix composite
Authors: Venkatesan Su , Jerald J , Sundeep Dola , Varadharaj Eswaramoorthy K , Sastry C Chandrasekhara
Published: July 2022

The present work is intended to fabricate titanium diboride (TiB2) and yttrium oxide (Y2O3) fused bronze metal matrix composite by stir casting technique to achieve effective mechanical and corrosion properties. TiB2-Y2O3 nanocomposite powders were synthesized using the mechanical milling synthesis technique. Spectroscopic analyses like Powder x-ray Diffraction (PXRD), Fourier Transform Infrared Spectroscopy (FTIR), and Scanning Electron Microscope (SEM) were used to characterize the synthesizednanopowders. The XRD data revealed the average crystalline size of 110 ± 5nanometres with a hexagonal and cubic phase structure of TiB2 and Y2O3. The fundamental modes and other functional groups of the nanocomposite were analyzed using the FTIR analysis. The SEM images revealed the irregular morphological structures of the composite powders. The bronze metal matrix composite is fabricated by varying the weight percentage of TiB2-Y2O3 nanocomposite as 2%, 4%, and 6 wt% with bronze alloy via stir casting technique.XRD graphs revealed the formation of metal matrix composite and the FESEM graphs revealed the porous morphology of the composite. The mechanical performance of the composite was analyzed by using the tensile, compression, and hardness tests. Specimen with 4 wt% reinforcement material offered higher mechanical properties with 303 MPa tensile, 810 MPa compression,141 HRB hardness, and good corrosion resistance. Hence the fabricated TiB2-Y2O3 fused bronze metal matrix composite with good mechanical and corrosion properties can be used for various sea environment applications.
A new preparation scheme for the wettability-patterned copper surfaces and its applicability
Authors: Luo Yuanqiang , Huang Guangwen , Peng Yi , Liang Zhen , He Yugang
Published: July 2022

Droplet control technology has broad application prospects and the wettability-patterned surface is a popular way to realize it. However, the existing preparation methods are either not suitable for copper or not suitable for its batch fabrication. In this paper, three specific preparation schemes with different effects are proposed for the wettability-patterned copper surfaces. Then the influences of preparation conditions on the contact angle are investigated. Using the selected preparation conditions, the effects among different preparation schemes are compared and the wettability-patterned copper surface prepared following preparation scheme 3 shows the best effect. Subsequently, according to different design purposes, the motions and spreading of water droplets on wettability-patterned copper surfaces with four new patterns are observed. It indicates that the hydrophilicity/hydrophobicity and directional liquid transport functions basically reach the pre-designed effects, which verifies the applicability of preparation scheme 3 on the wettability-patterned copper surfaces with different patterns for droplet control. Finally, compared with the existing preparation schemes, only the new preparation scheme proposed in this paper is conducted under room temperature and it does not require any special equipment. What’s more, its preparation time is the shortest (18 min). Hence, it is suitable for batch fabrication, which can extend the applications of wettability-patterned copper surfaces.
Pkgndep: a tool for analyzing dependency heaviness of R packages
Authors: Gu Zuguang , Hübschmann Daniel
Published: July 2022

Numerous R packages have been developed for bioinformatics analysis in the last decade and dependencies among packages have become critical issues to consider. In this work, we proposed a new metric named dependency heaviness that measures the number of dependencies that a parent uniquely brings to a package and we proposed possible solutions for reducing the complexity of dependencies by optimizing the use of heavy parents. We implemented the metric in a new R package pkgndep which provides an intuitive way for dependency heaviness analysis. Based on pkgndep, we additionally performed a global analysis of dependency heaviness on CRAN and Bioconductor ecosystems and we revealed top packages that have significant contributions of high dependency heaviness to their child packages.

Availability and implementation

The package pkgndep and documentations are freely available from the Comprehensive R Archive Network https://cran.r-project.org/package=pkgndep. The dependency heaviness analysis for all 22 076 CRAN and Bioconductor packages retrieved on June 8, 2022 are available at https://pkgndep.github.io/.

Supplementary information

Supplementary data are available at Bioinformatics online.