bluuebunny/crossref_metadata_2025 huggingface dataset:
The Autonomic Nervous System and Big Five Personality
Authors: Ivana Suryanto Yanti , Ardi Pramudita Esdras , Nando Nugraha Lucas
Published: July 2022

Background: Covid-19 brings change to human life. Human should adapt with this condition. People with certain personality trait may respond differently to the same situation. The autonomic nervous system (ANS) is important for regulation of human body function. It plays an important role in the physiological responses that arise in response to events around humans. Objective: to identify relationship between ANS function and personality. Methodology: We studied autonomic nervous system function and personality of 64 subjects older than 18 years old. Subjects with ANS dysregulation that had been diagnosed by physician were excluded. The Schellong test and The Big Five Personality questionnaire were used to identify ANS function and personality respectively. Relationship between variables was identified using Spearman test. Results: Autonomic nervous system function of the subject were normal (79.7%), type-1 (14.1%), type-2a (3.1%) and type-3 (3.1%). Subjects which have high openness personality were 36%, high conscientiousness were 70%, high extraversion personality were 50%, high agreeableness personality were 91%, and low neuroticism were 92%. There was no relationship between ANS function and openness (p=0.49), extraversion (p=0.34), agreeableness (p=0.77), and neuroticism (p=0.90). There was a relationship between ANS function and conscientiousness (p=0.049). Conclusion: There was a relationship between ANS function and conscientiousness but not with other types of OCEAN personality.
Comparison of Simple Tools For Measurement Of Obesity With Anthropometric Examination As A Predictor Of Metabolic Syndrome
Authors: Adi Suputra Putu , Sri Dewi Lestari Ni Made
Published: July 2022

Visceral fat shows a stronger relationship with the incidence of metabolic syndrome and cardiovascular risk than subcutaneous fat tissue. Visceral fat inhibits the action of adiponectin, so the body produces more fat than what we need. This study aims to compare simple tools for measuring obesity and visceral fat as predictors of metabolic syndrome. This research was a cross-sectional study with a sample of 50 subjects, the type of research was comparative and correlational. The variables in this study were bioelectric impedance analysis (BIA), skinfold thickness (ST), body mass index (BMI), waist circumference (WC), and waist-hip ratio (WHR) results. Data were analyzed with paired t-test and Pearson correlation test. There was a significant difference in body fat examination using BIA with ST (p=0.000). Body fat examination using BIA correlates with BMI, WC, and WHR (p=0.000). On the other hand, body fat examination using ST correlates with BMI and WC (p=0.000) but not with WHR (p=0.151). In conclusion, BIA and ST measurements were different, however, there was a significant correlation between BIA and ST. Body fat examination results of both BIA and ST correlate with other anthropometric examinations, except between ST and WHR.
Research on online monitoring and cause identification system of building electrical fire
Authors: Yang Fan , Cai Zhuoyuan , Su Lei , Xue Yongduan , Chen Xiaoming , Shen Yu , Wang Junjie
Published: July 2022

Frequent building electrical fire accidents have brought great harm to life and property. In order to prevent the occurrence of accidents and reduce the losses to the greatest extent, it is necessary to take effective measures for building electrical fires. Based on the Internet of things (IoT) technology, a system for online monitoring and cause identification of building electrical fire is proposed in this paper. For both hardware and software, this paper introduces the overall structure, component units and system functions in detail. According to the characteristics of arc fault and fire, the complete scheme of online monitoring is given, and the system workflow is also described to realize the cause identification. Finally, the effectiveness of this system is verified by practical testing. The results show that the proposed system is helpful to solve the problems in monitoring and cause identification of building electrical fire, which can not only provide decision-making basis for firefighting, but also provide strong technical support for improving the safety of low-voltage power grid.
Erfolgreiche lokale Behandlung eines digitalen kaninen Mastzelltumors mit Tigilanoltiglat
Authors: Gasser Karin
Published: July 2022

Die chirurgische Entfernung ist derzeit die Standardtherapie für resezierbare, nicht-metastasierte Mastzelltumoren (MZT). Seit kurzem steht mit dem intratumoral angewendeten Tigilanoltiglat eine neue Therapieoption für ausgewählte kutane und subkutane MZT zur Verfügung. Hier wird die erfolgreiche Behandlung eines 0,445 cm3 großen subkutanen MZTs an der Zehe eines American Staffordshire Terriers dokumentiert. Die daraus resultierende Wunde heilte komplikationslos innerhalb von 4 Wochen vollständig ab, und der Hund zeigte 8 Monate nach Therapie kein Rezidiv. Dank des neuen Medikaments konnte die Zehe erhalten werden, während chirurgisch eine vollständige Entfernung des Tumors nur mittels Amputation der Zehe möglich gewesen wäre.
Präpubische Urethrostomie bei einem Wiesenauer Minischwein mit Urolithiasis
Authors: Ullrich Theresa , Jäger Alexandra K. , Große Reinhard , Brunnberg Leo , Lahrmann Karl Heinz
Published: July 2022

Ein 10-jähriges kastriertes, männliches Minischwein wurde aufgrund eines Tenesmus vesicae mit Anurie vorgestellt. Begleitsymptom war eine Tachypnoe. Röntgenologisch waren zahlreiche Harnsteine in Blase und Urethra nachweisbar. Über die Harnröhre konnte nicht katheterisiert werden, sodass eine Notfallzystostomie mit Einlegen eines Ballonkatheters durchgeführt wurde. Trotz Blasenspülung gelang es nicht die Harnröhrensteine so auszuspülen. Deswegen wurde ein präpubisches Urethrostoma angelegt. Das Tier erholte sich vollständig und setzt seither problemlos Urin über die urethrale Fistel ab. Prophylaktische Maßnahmen der Urolithiasis beinhalten unter anderem eine ausreichende Wasseraufnahme, eine ausgewogene Fütterung und balancierte Futterzusammensetzung sowie die Gewährleistung eines physiologischen Urin-pH-Werts.
Neue Arzneimittel für Kleintiere 2021
Authors: Emmerich Ilka Ute
Published: July 2022

Im Jahr 2021 kamen für Kleintiere 8 neue Wirkstoffe auf den deutschen Tierarzneimittelmarkt: die spezifischen monoklonalen Antikörper Bedinvetmab (Librela®) und Frunevetmab (Solensia®), der Cyclooxygenase-2-Hemmer Enflioxib (Daxocox®), das Ektoparasitikum der Isoxazolingruppe Esafoxolaner (NexGard® Combo), das Antihämorrhagikum Etamsylat (Hemosilate), das Antidepressivum Mirtazapin (Mirataz®), das alpha-selektive Sympathomimetikum Tetryzolin zur Anwendung am Auge (Zolicep®) und das Zytostatikum Tigilanoltiglat (Stelfonta®). Kein Wirkstoff erhielt eine Tierartenerweiterung. Des Weiteren kamen für Kleintiere auf den Markt: 2 Wirkstoffe (Cefalexin, Gentamicin) in einer neuen Darreichungsform, fünf Wirkstoffe mit einem neuen Wirkstoffgehalt (Metronidazol, Pimobendan, Thiamazol, Tramadol, Trilostan), eine neue Wirkstoffkombinationen (Lotilaner + Milbemycinoxim), ein Wirkstoff in einer neuen Anwendungsart (Propofol) und 2 zwischenzeitlich für bestimmte Tierarten nicht mehr erhältliche Wirkstoffe (Levothyroxin für Katzen und Oxytetracyclin für Hunde und Katzen).
Diagnosis of Bleeding Disorders in Adolescents Hospitalized for Heavy Menstrual Bleeding
Authors: Amos Lauren E. , Sherman Ashley K. , Carpenter Shannon L.
Published: July 2022

Hundreds of adolescents are hospitalized in the United States yearly with anemia due to heavy menstrual bleeding (HMB). Limited data exist regarding how these patients are evaluated and how many are diagnosed with a bleeding disorder. The aim of this study was to determine the prevalence of bleeding disorders in adolescents hospitalized for HMB. Secondary aims included identification of risk factors for severe anemia leading to hospitalization and the hematology assessment. This was a retrospective cohort study of patients aged 9 to 21 years hospitalized for HMB and anemia at a tertiary care children's hospital from January 1, 2000, to December 31, 2017. A total of 118 girls hospitalized for HMB and anemia were included. Almost 30% of patients were African American. Hematology involvement did not occur in 42% of patients. Sixty patients completed bleeding disorder testing and 57% (34/60) were diagnosed with a bleeding disorder. Most patients diagnosed with von Willebrand disease (VWD) tested while hospitalized and anemic had VW levels <100%A but 9/25 (36%) girls not evaluated by Hematology also had VW levels <100%. Despite an established Inpatient Coagulation Consult service, many adolescents hospitalized with HMB did not receive an appropriate evaluation for bleeding disorders. African Americans were disproportionately hospitalized for HMB. VW levels are elevated with HMB and severe anemia, but levels <100 seem to be predictive of VWD in this setting. Further research is needed to determine optimal timing of bleeding disorder evaluation, but many adolescents hospitalized for HMB may have an underlying bleeding disorder.
Rhodium-Catalyzed Regio- and Enantioselective Direct Allylation of Methyl Ketones
Authors: Li Changkun , Li Bing
Published: July 2022

We report a highly branch-selective and enantioselective allylic alkylation of simple ketones with racemic aliphatic allylic carbonates under mild conditions. By using a Rh–bisoxazolinephosphine system and catalytic amounts of a base in THF, a series of chiral β-branched γ,δ-unsaturated ketones were obtained with excellent regio- and enantioselectivities. An outer-sphere nucleophilic substitution C–C bond-formation process is proposed on the basis of mechanistic studies.
An Efficient CuI-Catalyzed C–S Cross-Coupling Reaction under Microwave Irradiation in DMF
Authors: Katla Rakhi , Katla Ramesh , Domingues Nelson L. C.
Published: July 2022

Microwave irradiated C–S cross-coupling reaction to synthesize 5-aryllthiobenzo-2,1,3-thiadiazole derivatives from a variety of benzene thiols with 5-bromo-2,1,3-benzothiadiazole, catalyzed by Cu(I) iodide and potassium carbonate as a cost-effective base in DMF, was conducted, affording excellent yields of the desired products. Microwave conditions assisted in the development of C–S cross-coupling reaction with higher yields.
Minimally Invasive Osteosynthesis in Elderly Osteoporotic Proximal Humerus Fractures Using J-Nailing Technique
Authors: Tathe Pankaj Vijay , Sakharkar Nilesh , Ingale Akshay Babarao
Published: July 2022

Introduction Proximal humerus fractures in the osteoporotic elderly population are increasing and difficult to treat. Treatment in proximal fracture fixation in elderly has changed from absolute stability to relative stability that preserves soft tissue and vascularity, thereby improving clinical outcomes.

Aims and Objectives This study aimed to evaluate the clinical outcome of proximal humerus fractures in osteoporotic patients using minimally invasive J-nailing technique.

Methods and Materials A prospective observational study was done on 25 patients with proximal humerus fractures belonging to Neer's classification type 2 and 3 operated between May 2018 and June 2020 in the department of orthopaedics in tertiary health care center and treated by multiple intramedullary blunt Kirschner wires (J-nailing technique). The patients were followed up at 2, 6, 12, and 36 weeks. At the end of follow-up, clinical outcome was assessed using Neer's scoring system.

Results Treatment of proximal humerus fractures with J-nailing technique in the elderly population has shown promising results both in terms of function and radiology. Mean union time was 13.48 weeks with a standard deviation of 1.19 weeks. We did not find any significant difference in union time between patients with fracture type 2-part and 3-part. However, there was a significant difference in Neer's scoring between patients with fracture types two-part and three-part.

Conclusion Proximal humerus fracture fixation using minimally invasive techniques with J-nailing is an effective method of stabilization in elderly osteoporotic population, yielding good mechanical alignment, protecting rotator cuff muscles, preserving blood supply and predictable union rates with good clinical results.
Preoperative Histological Diagnosis of Pancreatic Cystic Neoplasms: Is Through the Needle Forceps Sampling the Answer?
Authors: Kumar Naveen , Rana Surinder Singh
Published: July 2022

Accurate preoperative diagnosis of pancreatic cystic lesions (PCLs) is a challenge as image-guided cytology has a very low sensitivity for its diagnosis. The recent advances in endoscopic ultrasound (EUS) such as needle confocal laser endomicroscopy and through the needle biopsy forceps has led to better characterization and diagnosis of the PCL. In this news and views, we discuss a prospective study that has evaluated the efficacy and safety of EUS-guided throughtheneedle biopsy sampling (EUS-TTNB) for diagnosis of PCLs.
Nonvenomous Snakebite in Pediatric Age Group—Wolf under a Sheep's Coat
Authors: Sahu Ranjit Kumar , Chakraborty Sourabh Shankar , K. Suresh , Gupta Sourabh
Published: July 2022

Nonvenomous snakebite, far outnumbering venomous bites, is a neglected occupational hazard in the Indian subcontinent. We encountered four cases of traditionally nonvenomous snakebite in pediatric age group with symptoms of limb swelling proximal to the bite site. All cases were found to have extensive fibrinous exudate and fibrinoid necrosis of the deeper layer of fat, deep to the intact skin and superficial layer of fat, extending far from the wound toward the proximal limb in continuity. This obscured presentation of infection and extensive necrosis of only the deeper layer of fat warrants exploratory incisions proximally for thorough debridement, underlying the normal appearing skin.
Aggressive behaviour of anti-vaxxers and their toxic replies in English and Japanese
Authors: Miyazaki Kunihiro , Uchiba Takayuki , Tanaka Kenji , Sasahara Kazutoshi
Published: July 2022

The anti-vaccine movement has gained traction in many countries since the COVID-19 pandemic began. However, their aggressive behaviour through replies on Twitter—a form of directed messaging that can be sent beyond follow-follower relationships—is less understood, and even less is known about the language use differences of this behaviour. We conducted a comparative study of anti-vaxxers’ aggressive behaviours by analysing a longitudinal dataset of COVID-19 tweets in English and Japanese. We found two common features across these languages. First, anti-vaxxers most actively transmit targeted messages or replies to users with different beliefs, especially to neutral accounts, with significantly toxic and negative language, and these replies are often directed to posts about vaccine operations. Second, influential users with many followers and verified accounts are more likely to receive the most toxic replies from the anti-vaxxers. However, pro-vaccine accounts with a few followers receive highly toxic replies in English, which is different from the Japanese case. These results provide insights into both language-dependent and independent countermeasures against anti-vaxxers’ aggressive behaviour.
A new generation of effective core potentials from correlated and spin–orbit calculations: Selected heavy elements
Authors: Wang Guangming , Kincaid Benjamin , Zhou Haihan , Annaberdiyev Abdulgani , Bennett M. Chandler , Krogel Jaron T. , Mitas Lubos
Published: July 2022

We introduce new correlation consistent effective core potentials (ccECPs) for the elements I, Te, Bi, Ag, Au, Pd, Ir, Mo, and W with 4d, 5d, 6s, and 6p valence spaces. These ccECPs are given as a sum of spin-orbit averaged relativistic effective potential (AREP) and effective spin–orbit (SO) terms. The construction involves several steps with increasing refinements from more simple to fully correlated methods. The optimizations are carried out with objective functions that include weighted many-body atomic spectra, norm-conservation criteria, and SO splittings. Transferability tests involve molecular binding curves of corresponding hydride and oxide dimers. The constructed ccECPs are systematically better and in a few cases on par with previous effective core potential (ECP) tables on all tested criteria and provide a significant increase in accuracy for valence-only calculations with these elements. Our study confirms the importance of the AREP part in determining the overall quality of the ECP even in the presence of sizable spin–orbit effects. The subsequent quantum Monte Carlo calculations point out the importance of accurate trial wave functions that, in some cases (mid-series transition elements), require treatment well beyond a single-reference.
The interplay between disease spreading and awareness diffusion in multiplex networks with activity-driven structure
Authors: Wang Jiaxin , Yang Chun , Chen Bo
Published: July 2022

The interplay between disease and awareness has been extensively studied in static networks. However, most networks in reality will evolve over time. Based on this, we propose a novel epidemiological model in multiplex networks. In this model, the disease spreading layer is a time-varying network generated by the activity-driven model, while the awareness diffusion layer is a static network, and the heterogeneity of individual infection and recovery ability is considered. First, we extend the microscopic Markov chain approach to analytically obtain the epidemic threshold of the model. Then, we simulate the spread of disease and find that stronger heterogeneity in the individual activities of a physical layer can promote disease spreading, while stronger heterogeneity of the virtual layer network will hinder the spread of disease. Interestingly, we find that when the individual infection ability follows Gaussian distribution, the heterogeneity of infection ability has little effect on the spread of disease, but it will significantly affect the epidemic threshold when the individual infection ability follows power-law distribution. Finally, we find the emergence of a metacritical point where the diffusion of awareness is able to control the onset of the epidemics. Our research could cast some light on exploring the dynamics of epidemic spreading in time-varying multiplex networks.
Building machine learning assisted phase diagrams: Three chemically relevant examples
Authors: Telleria-Allika Xabier , Mercero Jose M. , Lopez Xabier , Matxain Jon M.
Published: July 2022

In this work, we present a systematic procedure to build phase diagrams for chemically relevant properties by the use of a semi-supervised machine learning technique called uncertainty sampling. Concretely, we focus on ground state spin multiplicity and chemical bonding properties. As a first step, we have obtained single-eutectic-point-containing solid–liquid systems that have been suitable for contrasting the validity of this approach. Once this was settled, on the one hand, we built magnetic phase diagrams for several Hooke atoms containing a few electrons (4 and 6) trapped in spheroidal harmonic potentials. Changing the parameters of the confinement potential, such as curvature and anisotropy, and interelectronic interaction strength, we have been able to obtain and rationalize magnetic phase transitions flipping the ground state spin multiplicity from singlet (nonmagnetic) to triplet (magnetic) states. On the other hand, Bader’s analysis is performed upon helium dimers confined by spherical harmonic potentials. Covalency is studied using descriptors as the sign for Δρ(rC) and H(rC), and the dependency on the degrees of freedom of the system is studied, i.e., potential curvature ω2 and interatomic distance R. As a result, we have observed that there may exist a covalent bond between He atoms for short enough distances and strong enough confinement. This machine learning procedure could, in principle, be applied to the study of other chemically relevant properties involving phase diagrams, saving a lot of computational resources.
Strange nonchaotic dynamics in a discrete FitzHugh–Nagumo neuron model with sigmoidal recovery variable
Authors: Kumarasamy Suresh , Srinivasan Ashokkumar , Ramasamy Mohanasubha , Rajagopal Karthikeyan
Published: July 2022

We report the appearance of strange nonchaotic attractors in a discrete FitzHugh–Nagumo neuron model with discontinuous resetting. The well-known strange nonchaotic attractors appear in quasiperiodically forced continuous-time dynamical systems as well as in a discrete map with a small intensity of noise. Interestingly, we show that a discrete FitzHugh–Nagumo neuron model with a sigmoidal recovery variable and discontinuous resetting generates strange nonchaotic attractors without external force. These strange nonchaotic attractors occur as intermittency behavior (locally unstable behavior in laminar flow) in the periodic dynamics. We use various characterization techniques to validate the existence of strange nonchaotic attractors in the considered system.
Radiative cooling rates of substituted PAH ions
Authors: Zhu Boxing , Bull James N. , Ji MingChao , Zettergren Henning , Stockett Mark H.
Published: July 2022

The unimolecular dissociation and infrared radiative cooling rates of cationic 1-hydroxypyrene (OHPyr+, C16H10O+) and 1-bromopyrene (BrPyr+, C16H9Br+) are measured using a cryogenic electrostatic ion beam storage ring. A novel numerical approach is developed to analyze the time dependence of the dissociation rate and to determine the absolute scaling of the radiative cooling rate coefficient. The model results show that radiative cooling competes with dissociation below the critical total vibrational energies Ec = 5.39(1) eV for OHPyr+ and 5.90(1) eV for BrPyr+. These critical energies and implications for radiative cooling dynamics are important for astrochemical models concerned with energy dissipation and molecular lifecycles. The methods presented extend the utility of storage ring experiments on astrophysically relevant ions.
An effective method of reconnoitering current–voltage (IV) characteristics of organic solar cells
Authors: Meitzner Rico , Madalaimuthu Jose Prince , Alam Shahidul , Islam Md Moidul , Peiler Sebastian , Anand Aman , Ahner Johannes , Hager Martin D. , Schubert Ulrich S. , Zou Yingping , Laquai Frédéric , Hoppe Harald
Published: July 2022

Current–voltage (IV) characterization is the most fundamental measurement performed on solar cells. This measurement is commonly used to extract basic solar cell parameters, such as open circuit voltage, short circuit current density, fill factor, and power conversion efficiency. We were able to obtain a fast tool to find defective behavior using Simulation Program with Integrated Circuit Emphasis simulations and generate an understanding of which device property can create such defective behaviors by analyzing the second derivative of IV curves.
Comparison of different types of focusing probes in pulsed eddy current testing
Authors: Yang Fan , Li Zhaoyang , Fu Yuewen , Huang Wenfeng , Tang Chenhuai , Cao Aisong
Published: July 2022

Pulsed eddy current (PEC) testing has attracted widespread attention because of its unique advantages in detecting local defects in insulated pipes. In this paper, rectangular, U-shaped, and semicircular PEC focusing probes are designed, the magnetic energy utilization efficiency and focusing properties of the developed probes are simulated and compared, and their detection sensitivities are experimentally compared. The magnetic flux through specific surfaces is calculated to find the utilization of magnetic energy by the different probes, and the eddy current dissipation power is used to quantitatively describe the eddy current field focusing properties of various types of probes. The simulation results show that the magnetic field energy utilization efficiency of the semicircular focusing probe is significantly higher than that of the other two probes, but the eddy current field distributions of the three probes are similar, and the focusing properties are not significantly different. The experimental results show that the three types of PEC probes can effectively detect local defects under a certain lift-off. By calculating the detection sensitivity of different probes to defects under different lift-off conditions, it is determined that the detection sensitivity of the semicircular probe is significantly higher than that of the U-shaped probe and rectangular probe. The experimental results are consistent with the numerical simulation results. The research results are conducive to the optimal design of PEC focusing probes for insulated pipes.
Competition of gravity and viscous forces in miscible vertical displacement in a three-dimensional porous medium
Authors: Mahardika Mohammad Azis , She Yun , Koe Tomotaka , Patmonoaji Anindityo , Nasir Muhammad , Matsushita Shintaro , Suekane Tetsuya
Published: July 2022

When viscosity and density contrast exist in the vertical miscible displacement in porous media between two fluids, the interplay between the viscous force and gravity determines the interface stability. Two stability criteria are derived to determine the interface stability. Hill's and Dumore's stability criteria are used to determine the interface stability of the sharp and diffused interface, respectively. In this study, we visualized the crossover between unstable displacement and stable displacement for a vertical displacement in porous media using microfocused x-ray computed tomography. The experiments were divided into four possible configurations: (1) unconditionally stable (gravitationally stable-viscously stable), (2) unconditionally unstable (gravitationally unstable-viscously unstable), (3) conditionally stable (gravitationally stable-viscously unstable), and (4) conditionally stable (gravitationally unstable, viscously stable). The structure of the displacement interface was visualized for the critical velocity ratio (V/Vc) in the range of 0.5–11.9. In the conditionally stable configurations 3 and 4, a crossover between stable and unstable displacements was observed. We found that Dumore's stability criterion is more appropriate for predicting interface stability than Hill's stability criterion. Viscous fingering occurs in configuration 3 when V/Vc is higher than Dumore's critical velocity, whereas gravity fingering occurs in configuration 4 when V/Vc is lower than Dumore's critical velocity. Similar events in two-dimensional experiments, such as tip-splitting, shielding, and coalescence, were also observed three-dimensionally. The significant changes in the mixing length and sweep efficiency signify the crossover between the stable and unstable displacements.
Clustering, collision, and relaxation dynamics in pure and doped helium nanoclusters: Density- vs particle-based approaches
Authors: García-Alfonso Ernesto , Barranco Manuel , Bonhommeau David A. , Halberstadt Nadine , Pi Martí , Calvo Florent
Published: July 2022

The clustering, collision, and relaxation dynamics of pristine and doped helium nanodroplets is theoretically investigated in cases of pickup and clustering of heliophilic argon, collision of heliophobic cesium atoms, and coalescence of two droplets brought into contact by their mutual long-range van der Waals interaction. Three approaches are used and compared with each other. The He time-dependent density functional theory method considers the droplet as a continuous medium and accounts for its superfluid character. The ring-polymer molecular dynamics method uses a path-integral description of nuclear motion and incorporates zero-point delocalization while bosonic exchange effects are ignored. Finally, the zero-point averaged dynamics approach is a mixed quantum–classical method in which quantum delocalization is described by attaching a frozen wavefunction to each He atom, equivalent to classical dynamics with effective interaction potentials. All three methods predict that the growth of argon clusters is significantly hindered by the helium host droplet due to the impeding shell structure around the dopants and kinematic effects freezing the growing cluster in metastable configurations. The effects of superfluidity are qualitatively manifested by different collision dynamics of the heliophilic atom at high velocities, as well as quadrupole oscillations that are not seen with particle-based methods, for droplets experiencing a collision with cesium atoms or merging with each other.
A convenient and practical triaxial coupled seepage testing apparatus for deep buried coal
Authors: Wang Youshi , Wang Hanpeng , Lin Chunjin , Xing Wenbin , Sun Dekang , Yu Xinping
Published: July 2022

As the world’s shallow coal resources are being depleted, resource development continues to progress faster. To explore the coupled hydromechanical behavior of coal reserves that are buried deep underground under high stress, complex seepage, high temperature, adsorption, and desorption, we have developed a triaxial seepage testing apparatus under multifactor coupling effect. The system consists of a high-pressure and high-precision servo control loading system, a triaxial core holder (TEMCO), a seepage dynamic control system, a low-field Nuclear Magnetic Resonance (NMR) test system, a constant temperature control system, and a data acquisition and monitoring system. This system is capable of applying high pressure and long-term loading for specimens under adsorption or desorption. In addition, both steady-state method and pressure transient methods can be applied, thus covering the entire range for coal reserves buried deep from ultralow permeability to high permeability and significantly shortening the testing time. The characteristics of pores and fractures in the specimens and their impacts on permeability can be quantitatively evaluated by the low-field NMR experimental technique. We conducted experiments to understand the evolution of permeability of different gases under different stress conditions and to study the impact of adsorption on pore size distribution. Our experimental results show that the performance of this system is stable and reliable, which allow it to reflect the coupled hydromechanical response of coal buried deep underground. We envision this apparatus has a wide range of application value and can provide a scientific experimental basis for improving the recovery of coalbed methane and geological sequestration of CO2 in the future.
Ab initio analysis of MxLa1−xB6 as a solar radiation shielding material
Authors: Yoshio Satoshi
Published: July 2022

The optical properties and solid solubility of La atoms substituted with another atom were comprehensively investigated using ab initio calculations to improve the optical properties of LaB6. The results confirm that f electrons have little effect on optical properties at low energy, and PrxLa1−xB6, NdxLa1−xB6, SmxLa1−xB6, and GdxLa1−xB6 exhibit comparable optical properties. In addition, monovalent and divalent atoms are relatively easy to form solid solutions with LaB6. In actual applications, as solar radiation shielding materials, SrLa5B36 and EuLa4B30 exhibit satisfactory optical properties, combining transparency in visible light with absorption properties in near-infrared light.
Estimating Li-ion storage in semiconducting nanocomposite of 2D-MoS2 decorated aluminum nitride nanoflowers for flexible electrodes of supercapacitors
Authors: Sharma Gagan Kumar , Ranjan Bhanu , Kaur Davinder
Published: July 2022

By combining the exclusive characteristics of a two-dimensional MoS2 layered material with a conventional key material, aluminum nitride (AlN), a flexible supercapacitor electrode can be realized. We present a bendable electrode that is straightforwardly grown on stainless-steel foil via a binder-free sputtering route. The inherent merits of good conductive pathways among MoS2 nanolayers and enriched pseudocapacitive and dielectric activity from AlN nanoflowers enable synergism of the intermixed porous structure. This unique surface morphology facilitates sulfur and nitrogen edges to make insertion/de-insertion of Li-ions more feasible to store electrochemical energy. The MoS2-AlN@SS hybrid working electrode achieves a gravimetric capacitance of 372.35 F/g at a 5 mV/s scan rate with a wide potential window of 2 V in a 1 M Li2SO4 electrolytic aqueous solution. The composite thin film of better adhesion with the current collector exhibits a remarkably high specific power of 28.05 W h/kg at a specific power of 0.26 kW/kg, simultaneously an advanced cycling lifespan of 93% over 5000 charge–discharge cycles. The capacity of the hybrid electrode is almost unperturbed under bending from 0° to 175°, while only ∼5% degradation in capacitance was noticed at a flexing angle of 175°. These distinctive features of this electrode material elucidate the practical applicability and recommend it as a promising candidate in wearable bendable supercapacitors.
Observation of large and all-season ozone losses over the tropics
Authors: Lu Qing-Bin
Published: July 2022

This paper reveals a large and all-season ozone hole in the lower stratosphere over the tropics (30°N–30°S) existing since the 1980s, where an O3 hole is defined as an area of O3 loss larger than 25% compared with the undisturbed atmosphere. The depth of this tropical O3 hole is comparable to that of the well-known springtime Antarctic O3 hole, whereas its area is about seven times that of the latter. Similar to the Antarctic O3 hole, approximately 80% of the normal O3 value is depleted at the center of the tropical O3 hole. The results strongly indicate that both Antarctic and tropical O3 holes must arise from an identical physical mechanism, for which the cosmic-ray-driven electron reaction model shows good agreement with observations. The whole-year large tropical O3 hole could cause a great global concern as it can lead to increases in ground-level ultraviolet radiation and affect 50% of the Earth’s surface area, which is home to approximately 50% of the world’s population. Moreover, the presence of the tropical and polar O3 holes is equivalent to the formation of three “temperature holes” observed in the stratosphere. These findings will have significances in understanding planetary physics, ozone depletion, climate change, and human health.
Coexistence of oscillatory and reduced states on a spherical field controlled by electrical potential
Authors: Kubodera Yujin , Horisaka Mari , Kuze Masakazu , Suematsu Nobuhiko J. , Amemiya Takashi , Steinbock Oliver , Nakata Satoshi
Published: July 2022

The Belousov–Zhabotinsky (BZ) reaction was investigated to elucidate features of oscillations depending on the applied electrical potential, E. A cation-exchange resin bead loaded with the catalyst of the BZ reaction was placed on a platinum plate as a working electrode and then E was applied. We found that global oscillations (GO) and a reduced state coexisted on the bead at a negative value of E and that the source point of GO changed depending on E. The thickness of the reduced state was determined by a yellow colored region which corresponded to the distribution of Br2. The present studies suggest that the distribution of the inhibitor, Br−, which is produced from Br2, plays an important role in the existence of the reduced state and GO, and the source point of GO.
Quantifying and reducing spin contamination in algebraic diagrammatic construction theory of charged excitations
Authors: Stahl Terrence L. , Banerjee Samragni , Sokolov Alexander Yu.
Published: July 2022

Algebraic diagrammatic construction (ADC) theory is a computationally efficient and accurate approach for simulating electronic excitations in chemical systems. However, for the simulations of excited states in molecules with unpaired electrons, the performance of ADC methods can be affected by the spin contamination in unrestricted Hartree–Fock (UHF) reference wavefunctions. In this work, we benchmark the accuracy of ADC methods for electron attachment and ionization of open-shell molecules with the UHF reference orbitals (EA/IP-ADC/UHF) and develop an approach to quantify the spin contamination in charged excited states. Following this assessment, we demonstrate that the spin contamination can be reduced by combining EA/IP-ADC with the reference orbitals from restricted open-shell Hartree–Fock (ROHF) or orbital-optimized Møller–Plesset perturbation (OMP) theories. Our numerical results demonstrate that for open-shell systems with strong spin contamination in the UHF reference, the third-order EA/IP-ADC methods with the ROHF or OMP reference orbitals are similar in accuracy to equation-of-motion coupled cluster theory with single and double excitations.
Intermolecular forces at ice and water interfaces: Premelting, surface freezing, and regelation
Authors: Luengo-Márquez Juan , Izquierdo-Ruiz Fernando , MacDowell Luis G.
Published: July 2022

Using Lifshitz theory, we assess the role of van der Waals forces at interfaces of ice and water. The results are combined with measured structural forces from computer simulations to develop a quantitative model of the surface free energy of premelting films. This input is employed within the framework of wetting theory and allows us to predict qualitatively the behavior of quasi-liquid layer thickness as a function of ambient conditions. Our results emphasize the significance of vapor pressure. The ice–vapor interface is shown to exhibit only incomplete premelting, but the situation can shift to a state of complete surface melting above water saturation. The results obtained serve also to assess the role of subsurface freezing at the water–vapor interface, and we show that intermolecular forces favor subsurface ice nucleation only in conditions of water undersaturation. We show that ice regelation at ambient pressure may be explained as a process of capillary freezing, without the need to invoke the action of bulk pressure melting. Our results for van der Waals forces are exploited in order to gauge dispersion interactions in empirical point charge models of water.
Analysis of ultrafast carrier dynamics and steady-state reflectivity on lattice expansion in metal halide perovskite during continuous illumination
Authors: Li Ya-Chao , Ge Chao , Song Hai-Ying , Wang Peng , Ma Xiao-Ran , Liu Shi-Bing
Published: July 2022

Lattice expansion in hybrid halide perovskite directly affects its photoelectric properties and the stability of perovskite-based optoelectronic devices, which was certified also to closely connect with relevant inducing mechanisms. From the perspective of carrier relaxation dynamics and dielectric properties, we report the results employing ultrafast time-resolved transient and steady-state reflectivity technology to diagnose the lattice expansion occurring in bulk hybrid perovskite MAPbI3 during continuous illumination and directly heating, respectively. Upon continuous illumination at a constant temperature, there were no evident structural changes in MAPbI3, but in the condition of naturally temperature changes, the lattice expansion can be induced by continuous light illumination and is consistent with the effect of heat-inducted expansion. The present results are based on the physical mechanism that the change of the electronic structure caused by lattice expansion leads to the change of the dielectric properties in MAPbI3 and sequentially to the change of light reflectivity.
STING activation promotes robust immune response and NK cell–mediated tumor regression in glioblastoma models
Authors: Berger Gilles , Knelson Erik H. , Jimenez-Macias Jorge L. , Nowicki Michal O. , Han Saemi , Panagioti Eleni , Lizotte Patrick H. , Adu-Berchie Kwasi , Stafford Alexander , Dimitrakakis Nikolaos , Zhou Lanlan , Chiocca E. Antonio , Mooney David J. , Barbie David A. , Lawler Sean E.
Published: July 2022

Immunotherapy has had a tremendous impact on cancer treatment in the past decade, with hitherto unseen responses at advanced and metastatic stages of the disease. However, the aggressive brain tumor glioblastoma (GBM) is highly immunosuppressive and remains largely refractory to current immunotherapeutic approaches. The stimulator of interferon genes (STING) DNA sensing pathway has emerged as a next-generation immunotherapy target with potent local immune stimulatory properties. Here, we investigated the status of the STING pathway in GBM and the modulation of the brain tumor microenvironment (TME) with the STING agonist ADU-S100. Our data reveal the presence of STING in human GBM specimens, where it stains strongly in the tumor vasculature. We show that human GBM explants can respond to STING agonist treatment by secretion of inflammatory cytokines. In murine GBM models, we show a profound shift in the tumor immune landscape after STING agonist treatment, with massive infiltration of the tumor-bearing hemisphere with innate immune cells including inflammatory macrophages, neutrophils, and natural killer (NK) populations. Treatment of established murine intracranial GL261 and CT-2A tumors by biodegradable ADU-S100–loaded intracranial implants demonstrated a significant increase in survival in both models and long-term survival with immune memory in GL261. Responses to treatment were abolished by NK cell depletion. This study reveals therapeutic potential and deep remodeling of the TME by STING activation in GBM and warrants further examination of STING agonists alone or in combination with other immunotherapies such as cancer vaccines, chimeric antigen receptor T cells, NK therapies, and immune checkpoint blockade.
A long noncoding RNA influences the choice of the X chromosome to be inactivated
Authors: Hierholzer Andreas , Chureau Corinne , Liverziani Alessandra , Ruiz Nerea Blanes , Cattanach Bruce M. , Young Alexander N. , Kumar Manish , Cerase Andrea , Avner Phil
Published: July 2022

X chromosome inactivation (XCI) is the process of silencing one of the X chromosomes in cells of the female mammal which ensures dosage compensation between the sexes. Although theoretically random in somatic tissues, the choice of which X chromosome is chosen to be inactivated can be biased in mice by genetic element(s) associated with the so-called X-controlling element (
Xce
). Although the
Xce
was first described and genetically localized nearly 40 y ago, its mode of action remains elusive. In the approach presented here, we identify a single long noncoding RNA (lncRNA) within the
Xce
locus, Lppnx, which may be the driving factor in the choice of which X chromosome will be inactivated in the developing female mouse embryo. Comparing weak and strong
Xce
alleles we show that Lppnx modulates the expression of
Xist lncRNA
, one of the key factors in XCI, by controlling the occupancy of pluripotency factors at Intron1 of
Xist
. This effect is counteracted by enhanced binding of Rex1 in
DxPas34
, another key element in XCI regulating the activity of Tsix lncRNA, the main antagonist of Xist, in the strong but not in the weak
Xce
allele. These results suggest that the different susceptibility for XCI observed in weak and strong
Xce
alleles results from differential transcription factor binding of
Xist
Intron 1 and
DxPas34
, and that
Lppnx
represents a decisive factor in explaining the action of the
Xce
.
Field-tuned ferroquadrupolar quantum phase transition in the insulator TmVO4
Authors: Massat Pierre , Wen Jiajia , Jiang Jack M. , Hristov Alexander T. , Liu Yaohua , Smaha Rebecca W. , Feigelson Robert S. , Lee Young S. , Fernandes Rafael M. , Fisher Ian R.
Published: July 2022

We report results of low-temperature heat-capacity, magnetocaloric-effect, and neutron-diffraction measurements of TmVO4, an insulator that undergoes a continuous ferroquadrupolar phase transition associated with local partially filled 4forbitals of the thulium (Tm3+) ions. The ferroquadrupolar transition, a realization of Ising nematicity, can be tuned to a quantum critical point by using a magnetic field oriented along thecaxis of the tetragonal crystal lattice, which acts as an effective transverse field for the Ising-nematic order. In small magnetic fields, the thermal phase transition can be well described by using a semiclassical mean-field treatment of the transverse-field Ising model. However, in higher magnetic fields, closer to the field-tuned quantum phase transition, subtle deviations from this semiclassical behavior are observed, which are consistent with expectations of quantum fluctuations. Although the phase transition is driven by the local 4fdegrees of freedom, the crystal lattice still plays a crucial role, both in terms of mediating the interactions between the local quadrupoles and in determining the critical scaling exponents, even though the phase transition itself can be described via mean field. In particular, bilinear coupling of the nematic order parameter to acoustic phonons changes the spatial and temporal fluctuations of the former in a fundamental way, resulting in different critical behavior of the nematic transverse-field Ising model, as compared to the usual case of the magnetic transverse-field Ising model. Our results establish TmVO4as a model material and electronic nematicity as a paradigmatic example for quantum criticality in insulators.
Tough, aorta-inspired soft composites
Authors: Mo Chengyang , Long Haiyi , Raney Jordan R.
Published: July 2022

Spatial variations in fiber alignment (and, therefore, in mechanical anisotropy) play a central role in the excellent toughness and fatigue characteristics of many biological materials. In this work, we examine the effect of fiber alignment in soft composites, including both “in-plane” and “out-of-plane” fiber arrangements. We take inspiration from the spatial variations of fiber alignment found in the aorta to three-dimensionally (3D) print soft, tough silicone composites with an excellent combination of stiffness, toughness, and fatigue threshold, regardless of the direction of loading. These aorta-inspired composites exhibit mechanical properties comparable to skin, with excellent combinations of stiffness and toughness not previously observed in synthetic soft materials.
A conserved signal-peptidase antagonist modulates membrane homeostasis of actinobacterial sortase critical for surface morphogenesis
Authors: Ramirez Nicholas A. , Wu Chenggang , Chang Chungyu , Siegel Sara D. , Das Asis , Ton-That Hung
Published: July 2022

Most Actinobacteria encode a small transmembrane protein, whose gene lies immediately downstream of the housekeeping sortase coding for a transpeptidase that anchors many extracellular proteins to the Gram-positive bacterial cell wall. Here, we uncover the hitherto unknown function of this class of conserved proteins, which we name SafA, as a topological modulator of sortase in the oral ActinobacteriumActinomyces oris. Genetic deletion ofsafAinduces cleavage and excretion of the otherwise predominantly membrane-bound SrtA in wild-type cells. Strikingly, thesafAmutant, although viable, exhibits severe abnormalities in cell morphology, pilus assembly, surface protein localization, and polymicrobial interactions—the phenotypes that are mirrored bysrtAdepletion. The pleiotropic defect of thesafAmutant is rescued by ectopic expression ofsafAfrom not onlyA. oris, but alsoCorynebacterium diphtheriaeorCorynebacterium matruchotii. Importantly, the SrtA N terminus harbors a tripartite-domain feature typical of a bacterial signal peptide, including a cleavage motif AXA, mutations in which prevent SrtA cleavage mediated by the signal peptidase LepB2. Bacterial two-hybrid analysis demonstrates that SafA and SrtA directly interact. This interaction involves a conserved motif FPW within the exoplasmic face of SafA, since mutations of this motif abrogate SafA-SrtA interaction and induce SrtA cleavage and excretion as observed in thesafAmutant. Evidently, SafA is a membrane-imbedded antagonist of signal peptidase that safeguards and maintains membrane homeostasis of the housekeeping sortase SrtA, a central player of cell surface assembly.