bluuebunny/crossref_metadata_2025 huggingface dataset:
Activation of SARS-CoV-2 neutralizing antibody is slower than elevation of spike-specific IgG, IgM, and nucleocapsid-specific IgG antibodies
Authors: Takahashi Maika , Ai Tomohiko , Sinozuka Konomi , Baba Yuna , Igawa Gene , Nojiri Shuko , Yamamoto Takamasa , Yuri Maiko , Takei Satomi , Saito Kaori , Horiuchi Yuki , Kanno Takayuki , Tobiume Minoru , Khasawneh Abdullah , Paran Faith Jessica , Hiki Makoto , Wakita Mitsuru , Miida Takashi , Suzuki Tadaki , Okuzawa Atsushi , Takahashi Kazuhisa , Naito Toshio , Tabe Yoko
Published: September 2022

COVID-19 antibody testing has been developed to investigate humoral immune response in SARS-CoV-2 infection. To assess the serological dynamics and neutralizing potency following SARS-CoV-2 infection, we investigated the neutralizing (NT) antibody, anti-spike, and anti-nucleocapsid antibodies responses using a total of 168 samples obtained from 68 SARS-CoV-2 infected patients. Antibodies were measured using an authentic virus neutralization assay, the high-throughput laboratory measurements of the Abbott Alinity quantitative anti-spike receptor-binding domain IgG (S-IgG), semiquantitative anti-spike IgM (S-IgM), and anti-nucleocapsid IgG (N-IgG) assays. The quantitative measurement of S-IgG antibodies was well correlated with the neutralizing activity detected by the neutralization assay (r = 0.8943, p < 0.0001). However, the kinetics of the SARS-CoV-2 NT antibody in severe cases were slower than that of anti-S and anti-N specific antibodies. These findings indicate a limitation of using the S-IgG antibody titer, detected by the chemiluminescent immunoassay, as a direct quantitative marker of neutralizing activity capacity. Antibody testing should be carefully interpreted when utilized as a marker for serological responses to facilitate diagnostic, therapeutic, and prophylactic interventions.
Modelling the dynamic relationship between spread of infection and observed crowd movement patterns at large scale events
Authors: Rutten Philip , Lees Michael H. , Klous Sander , Heesterbeek Hans , Sloot Peter M. A.
Published: September 2022

Understanding how contact patterns arise from crowd movement is crucial for assessing the spread of infection at mass gathering events. Here we study contact patterns from Wi-Fi mobility data of large sports and entertainment events in the Johan Cruijff ArenA stadium in Amsterdam. We show that crowd movement behaviour at mass gathering events is not homogeneous in time, but naturally consists of alternating periods of movement and rest. As a result, contact duration distributions are heavy-tailed, an observation which is not explained by models assuming that pedestrian contacts are analogous to collisions in the kinetic gas model. We investigate the effect of heavy-tailed contact duration patterns on the spread of infection using various random walk models. We show how different types of intermittent movement behaviour interact with a time-dependent infection probability. Our results point to the existence of a crossover point where increased contact duration presents a higher level of transmission risk than increasing the number of contacts. In addition, we show that different types of intermittent movement behaviour give rise to different mass-action kinetics, but also show that neither one of two mass-action mechanisms uniquely describes events.
Finite confinement potentials, core and shell size effects on excitonic and electron-atom properties in cylindrical core/shell/shell quantum dots
Authors: Hbibi M. , Mommadi O. , Chouef S. , Boussetta R. , Belamkadem L. , Moussaouy A. El , Falyouni F. , Duque C. M. , Vinasco J. A. , Duque C. A.
Published: September 2022

The effects of confinement potentials of the first and second materials, core size and first shell thickness on the confinement of electron, electron-donor atom, and exciton in cylindrical core/shell/shell quantum dot (CSSQD) are studied taking into account the finite confinement potential model. The confinement of charge carriers in CSSQD with two finite confinement potentials models of the barrier materials are studied. Within the effective mass and parabolic band approximation, the 3D time-independent Schrödinger equation has been resolved. To obtain the ground state quasiparticles energies, we have used the variational technique. Our results show that the donor atom and exciton binding energy, as well as the electron energy, strongly depend on the core radius, first shell thickness, confinement potentials of the barrier materials, and their structures (A and B). Moreover, the confinement potential effect of the first material on the energies is more pronounced when their thickness is large and the core radius is small. So, the external potential effect is more significant when the first shell thickness and potential are small. Also, The binding energy of an on-center (off-center) donor atom is greater (weaker) than that of the exciton, whatever the structure of the confinement potential. In addition, the transition from a type-A to a type-B confinement system has been observed. The findings might be used to modify the electronic and excitonic properties in nanomaterials science.
The establishment of ecological conservation for herpetofauna species in hotspot areas of South Korea
Authors: Do Min Seock , Son Seok-Jun , Choi Green , Yoo Nakyung , Kim Dae-in , Koo Kyo-Soung , Nam Hyung-Kyu
Published: September 2022

Understanding the geographic distribution of species is crucial for establishing protected areas. This study aimed to identify the preferred habitat environment of South Korean herpetofauna using distribution point information, providing the information necessary to protect their habitat by establishing a species distribution model. We found that climate variables in the region where 19 amphibians and 20 reptiles were distributed correlated with the altitude, suggesting that altitude had a major influence on their distribution. The species distribution modeling indicated that 10–12 amphibian and 13–16 reptile species inhabit the Gangwon-do region, forming hotspot areas in the eastern and western regions around the Taebaek Mountains. Some of these hotspot areas occurred in the Demilitarized Zone and national parks, which are government-managed ecological conservation areas. However, some hotspot areas are vulnerable to habitat destruction due to development and deforestation as they are not designated conservation areas. Therefore, it is necessary to establish new conservation areas with a focus on herpetofauna after confirming the actual inhabitation of species through precise monitoring in predicted hotspot areas and designating them as protected areas. Our results can serve as important basic data for establishing protection measures and designating protected areas for herpetofauna species.
Novel chemical entities inhibiting Mycobacterium tuberculosis growth identified by phenotypic high-throughput screening
Authors: Kumar Anuradha , Chettiar Somsundaram , Brown Brian S. , Early Julie , Ollinger Juliane , Files Megan , Bailey Mai A. , Korkegian Aaron , Dennison Devon , McNeil Matthew , Metz James , Osuma Augustine , Curtin Michael , Kunzer Aaron , Freiberg Gail , Bruncko Milan , Kempf Dale , Parish Tanya
Published: September 2022

We performed a high-throughput phenotypic whole cell screen of Mycobacterium tuberculosis against a diverse chemical library of approximately 100,000 compounds from the AbbVie corporate collection and identified 24 chemotypes with anti-tubercular activity. We selected two series for further exploration and conducted structure–activity relationship studies with new analogs for the 4-phenyl piperidines (4PP) and phenylcyclobutane carboxamides (PCB). Strains with mutations in MmpL3 demonstrated resistance to both compound series. We isolated resistant mutants for the two series and found mutations in MmpL3. These data suggest that MmpL3 is the target, or mechanism of resistance for both series.
Comprehensive study of anomalous hysteresis behavior in perovskite-based solar cells
Authors: Minbashi Mehran , Yazdani Elnaz
Published: September 2022

Perovskite solar cells (PSCs) have shown remarkable progress with the rapid increase in power conversion efficiency to reach 25.7% over the last few years. However, it is difficult to precisely determine the energy conversion efficiency for PSC, because of anomalous current density-voltage (J–V) hysteresis. Normal J–V hysteresis has been reported in many papers, where the backward scan performance is higher than the forward scan one. In this work, using Drift–Diffusion Modeling, normal hysteretic behavior associated with ion migration with different scanning rates, pre-bias voltages, and charge-carrier mobility is studied. In addition, the inverted J–V hysteresis by modification of the simulation model, where anions and cations flux towards the transport layers and are accumulated simultaneously on both sides, is achieved. It is also found that the flux parameter values (gae and gch) play a critical role in the reduction of inverted hysteresis and the efficiency enhancement. It is suggested from the current studies that perovskite interfaces encapsulation, which prevents ions migration, could be of great importance for achieving hysteresis-free PSCs and reliable device characteristics.
Brown adipose tissue dysfunction promotes heart failure via a trimethylamine N-oxide-dependent mechanism
Authors: Yoshida Yohko , Shimizu Ippei , Shimada Atsuhiro , Nakahara Keita , Yanagisawa Sachiko , Kubo Minoru , Fukuda Shinji , Ishii Chiharu , Yamamoto Hiromitsu , Ishikawa Takamasa , Kano Kuniyuki , Aoki Junken , Katsuumi Goro , Suda Masayoshi , Ozaki Kazuyuki , Yoshida Yutaka , Okuda Shujiro , Ohta Shigeo , Okamoto Shiki , Minokoshi Yasuhiko , Oda Kanako , Sasaoka Toshikuni , Abe Manabu , Sakimura Kenji , Kubota Yoshiaki , Yoshimura Norihiko , Kajimura Shingo , Zuriaga Maria , Walsh Kenneth , Soga Tomoyoshi , Minamino Tohru
Published: September 2022

Low body temperature predicts a poor outcome in patients with heart failure, but the underlying pathological mechanisms and implications are largely unknown. Brown adipose tissue (BAT) was initially characterised as a thermogenic organ, and recent studies have suggested it plays a crucial role in maintaining systemic metabolic health. While these reports suggest a potential link between BAT and heart failure, the potential role of BAT dysfunction in heart failure has not been investigated. Here, we demonstrate that alteration of BAT function contributes to development of heart failure through disorientation in choline metabolism. Thoracic aortic constriction (TAC) or myocardial infarction (MI) reduced the thermogenic capacity of BAT in mice, leading to significant reduction of body temperature with cold exposure. BAT became hypoxic with TAC or MI, and hypoxic stress induced apoptosis of brown adipocytes. Enhancement of BAT function improved thermogenesis and cardiac function in TAC mice. Conversely, systolic function was impaired in a mouse model of genetic BAT dysfunction, in association with a low survival rate after TAC. Metabolomic analysis showed that reduced BAT thermogenesis was associated with elevation of plasma trimethylamine N-oxide (TMAO) levels. Administration of TMAO to mice led to significant reduction of phosphocreatine and ATP levels in cardiac tissue via suppression of mitochondrial complex IV activity. Genetic or pharmacological inhibition of flavin-containing monooxygenase reduced the plasma TMAO level in mice, and improved cardiac dysfunction in animals with left ventricular pressure overload. In patients with dilated cardiomyopathy, body temperature was low along with elevation of plasma choline and TMAO levels. These results suggest that maintenance of BAT homeostasis and reducing TMAO production could be potential next-generation therapies for heart failure.
A new human-based metahurestic optimization method based on mimicking cooking training
Authors: Trojovská Eva , Dehghani Mohammad
Published: September 2022

Metaheuristic algorithms have a wide range of applications in handling optimization problems. In this study, a new metaheuristic algorithm, called the chef-based optimization algorithm (CBOA), is developed. The fundamental inspiration employed in CBOA design is the process of learning cooking skills in training courses. The stages of the cooking training process in various phases are mathematically modeled with the aim of increasing the ability of global search in exploration and the ability of local search in exploitation. A collection of 52 standard objective functions is utilized to assess the CBOA’s performance in addressing optimization issues. The optimization results show that the CBOA is capable of providing acceptable solutions by creating a balance between exploration and exploitation and is highly efficient in the treatment of optimization problems. In addition, the CBOA’s effectiveness in dealing with real-world applications is tested on four engineering problems. Twelve well-known metaheuristic algorithms have been selected for comparison with the CBOA. The simulation results show that CBOA performs much better than competing algorithms and is more effective in solving optimization problems.
A method for intelligent allocation of diagnostic testing by leveraging data from commercial wearable devices: a case study on COVID-19
Authors: Shandhi Md Mobashir Hasan , Cho Peter J. , Roghanizad Ali R. , Singh Karnika , Wang Will , Enache Oana M. , Stern Amanda , Sbahi Rami , Tatar Bilge , Fiscus Sean , Khoo Qi Xuan , Kuo Yvonne , Lu Xiao , Hsieh Joseph , Kalodzitsa Alena , Bahmani Amir , Alavi Arash , Ray Utsab , Snyder Michael P. , Ginsburg Geoffrey S. , Pasquale Dana K. , Woods Christopher W. , Shaw Ryan J. , Dunn Jessilyn P.
Published: September 2022

Mass surveillance testing can help control outbreaks of infectious diseases such as COVID-19. However, diagnostic test shortages are prevalent globally and continue to occur in the US with the onset of new COVID-19 variants and emerging diseases like monkeypox, demonstrating an unprecedented need for improving our current methods for mass surveillance testing. By targeting surveillance testing toward individuals who are most likely to be infected and, thus, increasing the testing positivity rate (i.e., percent positive in the surveillance group), fewer tests are needed to capture the same number of positive cases. Here, we developed an Intelligent Testing Allocation (ITA) method by leveraging data from the CovIdentify study (6765 participants) and the MyPHD study (8580 participants), including smartwatch data from 1265 individuals of whom 126 tested positive for COVID-19. Our rigorous model and parameter search uncovered the optimal time periods and aggregate metrics for monitoring continuous digital biomarkers to increase the positivity rate of COVID-19 diagnostic testing. We found that resting heart rate (RHR) features distinguished between COVID-19-positive and -negative cases earlier in the course of the infection than steps features, as early as 10 and 5 days prior to the diagnostic test, respectively. We also found that including steps features increased the area under the receiver operating characteristic curve (AUC-ROC) by 7–11% when compared with RHR features alone, while including RHR features improved the AUC of the ITA model’s precision-recall curve (AUC-PR) by 38–50% when compared with steps features alone. The best AUC-ROC (0.73 ± 0.14 and 0.77 on the cross-validated training set and independent test set, respectively) and AUC-PR (0.55 ± 0.21 and 0.24) were achieved by using data from a single device type (Fitbit) with high-resolution (minute-level) data. Finally, we show that ITA generates up to a 6.5-fold increase in the positivity rate in the cross-validated training set and up to a 4.5-fold increase in the positivity rate in the independent test set, including both symptomatic and asymptomatic (up to 27%) individuals. Our findings suggest that, if deployed on a large scale and without needing self-reported symptoms, the ITA method could improve the allocation of diagnostic testing resources and reduce the burden of test shortages.
Subpopulation-specific machine learning prognosis for underrepresented patients with double prioritized bias correction
Authors: Afrose Sharmin , Song Wenjia , Nemeroff Charles B. , Lu Chang , Yao Danfeng
Published: September 2022

Background

Many clinical datasets are intrinsically imbalanced, dominated by overwhelming majority groups. Off-the-shelf machine learning models that optimize the prognosis of majority patient types (e.g., healthy class) may cause substantial errors on the minority prediction class (e.g., disease class) and demographic subgroups (e.g., Black or young patients). In the typical one-machine-learning-model-fits-all paradigm, racial and age disparities are likely to exist, but unreported. In addition, some widely used whole-population metrics give misleading results.

Methods

We design a double prioritized (DP) bias correction technique to mitigate representational biases in machine learning-based prognosis. Our method trains customized machine learning models for specific ethnicity or age groups, a substantial departure from the one-model-predicts-all convention. We compare with other sampling and reweighting techniques in mortality and cancer survivability prediction tasks.

Results

We first provide empirical evidence showing various prediction deficiencies in a typical machine learning setting without bias correction. For example, missed death cases are 3.14 times higher than missed survival cases for mortality prediction. Then, we show DP consistently boosts the minority class recall for underrepresented groups, by up to 38.0%. DP also reduces relative disparities across race and age groups, e.g., up to 88.0% better than the 8 existing sampling solutions in terms of the relative disparity of minority class recall. Cross-race and cross-age-group evaluation also suggests the need for subpopulation-specific machine learning models.

Conclusions

Biases exist in the widely accepted one-machine-learning-model-fits-all-population approach. We invent a bias correction method that produces specialized machine learning prognostication models for underrepresented racial and age groups. This technique may reduce potentially life-threatening prediction mistakes for minority populations.
Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ˙− salts
Authors: Yan Bingjia , Horton Peter N. , Weston Simon C. , Wedge Christopher J. , Russell Andrea E. , Grossel Martin C.
Published: September 2022

Ionophore complexes of K(TCNQ˙−)(TCNQ0)n adopt a variety of stacking motifs such as wave-like infinite TCNQ columns separated by K+-cryptates (left) and K+-π-dimerised cation complexes separated by infinite slipped TCNQ stacks (right).
Insights into the crucial role of a Zn promoter for methanol dehydrogenation to methyl formate over Cu(111) catalysts
Authors: Wu Shiping , Sun Wei , Wang Xuhui , Zhao Jinxian , Li Yan , Quan Yanhong , Ren Jun
Published: September 2022

It can be concluded that the addition of a Zn promoter not only changed the reaction path of methanol dehydrogenation, but also reduced the energy barrier of the rate determining step and blocked the formation of the by-product CO effectively.
Accurate computed singlet–triplet energy differences for cobalt systems: implication for two-state reactivity
Authors: Chaussy Léo , Hagebaum-Reignier Denis , Humbel Stéphane , Nava Paola
Published: September 2022

Accurate singlet–triplet energy differences for cobalt and rhodium complexes are obtained at high computational level (MRCISD, CASPT2, CCSD(T), DFT). Our results have an impact on the mechanism of cobalt cycloaddition reactions.
An off-center endohedrally confined hydrogen molecule
Authors: Morcillo-Arencibia Milagros F. , Alcaraz-Pelegrina José Manuel , Sarsa Antonio J. , Randazzo Juan M.
Published: September 2022

The effects on the energy and equilibrium nuclear distance of the position inside the cavity of a C60 endohedrally confined hydrogen molecule are studied through a configuration–interaction approach.
Sennoside A is a novel inhibitor targeting caspase-1
Authors: Wu Jiasi , Lan Yuejia , Shi Xiaoke , Huang Wenge , Li Sheng , Zhang Jizhou , Wang Huan , Wang Fei , Meng Xianli
Published: September 2022

Sen A decreases caspase-1 activity and P2X7 function, which further leads to NLRP3 and AIM2 inflammasome disassembly and the reduced secretion of IL-1β and IL-18viapyroptosis restraining and NF-κB-involved NLRP3 priming.
Deciphering the role of faujasite-type zeolites as a cation delivery platform to sustain the functions of MC3T3-E1 pre-osteoblastic cells
Authors: Lutzweiler Gaëtan , Zhang Yu , Gens Fanny , Echalard Aline , Ladam Guy , Hochart Jérémy , Janicot Théo , Mofaddel Nadine , Louis Benoît
Published: September 2022

Y-zeolites were exchanged with biologically active ions for release in a sustained manner allowing different responses of MC3T3-E1 osteoblasts to be induced.
Computational study of quinoline-based thiadiazole compounds as potential antileishmanial inhibitors
Authors: Khaldan Ayoub , Bouamrane Soukaina , El-mernissi Reda , Alaqarbeh Marwa , Hajji Halima , Alsakhen Nada , Maghat Hamid , Ajana Mohammed Aziz , Sbai Abdelouahid , Bouachrine Mohammed , Lakhlifi Tahar
Published: September 2022

Leishmaniasis is a severe disease caused by protozoan parasites of the genus Leishmania and it is accountable for sizable morbidity and mortality worldwide.
Two undescribed pairs of isoprenyl hydroxybenzoic acid derivatives from coculture of Pestalotiopsis sp. and Penicillium bialowiezense: enantioseparation and their absolute configurations
Authors: Li Fengli , Huang Zhangyan , Mo Shuyuan , Gu Saisai , Zhang Sitian , Yang Beiye , Wang Jianping , Hu Zhengxi , Zhang Yonghui
Published: September 2022

Two undescribed pairs of ester dimer enantiomers, representing the first examples of isoprenyl hydroxybenzoic acid derivatives bearing a glycerol moiety, were isolated from coculture of Pestalotiopsis sp. and Penicillium bialowiezense. Compound 1 showed comparable GUS inhibitory potency to that of the positive control DSA.
Manipulating the crack path through the surface functional groups of MXenes
Authors: Chen Yu , Tang Shengjie , Yan Xin
Published: September 2022

The crack propagation through multiple functional group interfaces. With loading along the zigzag direction, the crack would go upwards, and be deflected whenever it went through an interface.
“Carrier–drug” layer-by-layer hybrid assembly of biocompatible polydopamine nanoparticles to amplify photo-chemotherapy
Authors: Lv Lingyu , Cheng Hao , Wang Zhen , Miao Zhangyi , Zhang Feng , Chen Jie , Wang Gang , Tao Ling , Zhou Jianping , Zhang Huaqing , Ding Yang
Published: September 2022

“Carrier-drug” layer-by-layer hybrid assembly was developed by layer-by-layer co-assembly of DOX and dopamine with high drug loading, multiple-responsive drug release and deep tumor penetration to amplify chemo-photothermal anti-tumor therapy.
Single-molecule evidence for a chemical ratchet in binding between the cam repressor and its operator
Authors: Kabata Hiroyuki , Aramaki Hironori , Shimamoto Nobuo
Published: September 2022

The chemical ratchet, a mechanism indifferent to detailed balance, is evidenced by a single-molecule experiment involving the binding of a bacterial repressor to its operator.
Hoogsteen triplexes stabilized through ethynyl-linked pyrene-indole synthesized by high-temperature Sonogashira coupling
Authors: Géci Imrich , Fatthalla Maha I. , Heintz Maike , Jørgensen Per T. , Pedersen Erik B.
Published: September 2022

Significant thermal stability of Hoogsteen triplexes was obtained after intercalation of 5-(pyren-1-ylethynyl)indole known as Twisted Intercalating Nucleic Acid (TINA) prepared by high-temperature Sonogashira coupling.
Assembly of cyclic ferrocene-sensitized titanium-oxo clusters with excellent photoelectrochemical activity
Authors: Wang Chao , Chen Ning , Wang Shoujuan , Kong Fangong
Published: September 2022

Two novel cyclic titanium-oxo clusters were constructed from Ti-oxo units and ferrocene connectors, and they were employed as electrode precursors to investigate their photoelectric responses.
Structural and theoretical insights into solvent effects in an iron(iii) SCO complex
Authors: Díaz-Torres Raúl , Boonprab Theerapoom , Gómez-Coca Silvia , Ruiz Eliseo , Chastanet Guillaume , Harding Phimphaka , Harding David J.
Published: September 2022

The impact of different alcohols on spin crossover properties is explored in a series iron(iii) complexes.
Zinc-catalyzed asymmetric [3 + 2] annulations for the construction of chiral spiro[1-indanone-γ-butyrolactones] via a C–N bond cleavage process
Authors: Han Jiao-Jiao , Zhang Cui , Mei Guang-Jian , Hua Yuan-Zhao , Jia Shi-Kun , Wang Min-Can
Published: September 2022

This is an efficient asymmetric Michael/lactonization cascade reaction via a Brønsted base and Lewis acid cooperative activation model.
Lewis acid-promoted cyclizations of o-alkyloxyphenyl-substituted ynamides to construct 2-amidobenzofurans
Authors: Xu Hui , Liu Yangpeng , Ding Lixia , Wang Xiao-Na , Chang Junbiao
Published: September 2022

Lewis acid-promoted cyclizations of o-alkyloxyphenyl-substituted ynamides for the construction of medicinally relevant 2-amidobenzofurans are described. A series of 3-acyl or 3-unsubstituted 2-amidobenzofurans could be effectively constructed.
Chemical diversity, medicinal potentialities, biosynthesis, and pharmacokinetics of anthraquinones and their congeners derived from marine fungi: a comprehensive update
Authors: Sebak Mohamed , Molham Fatma , Greco Claudio , Tammam Mohamed A. , Sobeh Mansour , El-Demerdash Amr
Published: September 2022

Marine-derived fungi receive excessive attention as prolific producers of structurally unique secondary metabolites. Whilst they are promising substitutes or conjugates for current therapeutics, so far research has only touched on their secondary metabolite diversity.
A continuous flow investigation of sulfonyl chloride synthesis using N-chloroamides: optimization, kinetics and mechanism
Authors: Polterauer Dominik , Roberge Dominique M. , Hanselmann Paul , Littich Ryan , Hone Christopher A. , Kappe C. Oliver
Published: September 2022

We develop a continuous flow protocol for the synthesis of sulfonyl chlorides from disulfides and thiols, using 1,3-dichloro-5,5-dimethylhydantoin (DCH) as a dual-function reagent for oxidative chlorination.
Strategic design of Fe and N co-doped hierarchically porous carbon as superior ORR catalyst: from the perspective of nanoarchitectonics
Authors: Kim Minjun , Firestein Konstantin L. , Fernando Joseph F. S. , Xu Xingtao , Lim Hyunsoo , Golberg Dmitri V. , Na Jongbeom , Kim Jihyun , Nara Hiroki , Tang Jing , Yamauchi Yusuke
Published: September 2022

This study elucidates the role of each class of nanopore by in-depth electrochemical analysis of three types of ZIF-8-derived carbons. Also, engineered co-doping of Fe and N is found essential to selectively form Fe–Nx sites in the carbon matrix.
A photoinduced transient activating strategy for late-stage chemoselective C(sp3)–H trifluoromethylation of azines
Authors: Huang Mengjun , Ma Jiawei , Zou Zhenlei , Li Heyin , Liu Jiyang , Kong Lingyu , Pan Yi , Zhang Weigang , Liang Yong , Wang Yi
Published: September 2022

Late-stage C(sp3)–H functionalization of unactivated azines: the traceless Tf switching process offers ample opportunities for site-selective derivatization of heteroaryls, allowing for the rapid increase of molecular complexity.
Bifunctional NiCuOx photoelectrodes to promote pseudocapacitive charge storage by in situ photocharging
Authors: Zhu Ting , Pan Jun , An Zhiyu , Zhe Rongjie , Ou Quanhong , Wang Hong-En
Published: September 2022

Bifunctional NiCuOx photoelectrodes are prepared for three-electrode supercapacitors, which have demonstrated remarkable capacitance enhancements of 17.5–25.5% via an in situ photocharging process.
Improving the hydrogen evolution performance of self-supported hierarchical NiFe layered double hydroxide via NH3-inducing at room temperature
Authors: Li Xiaoge , Liu Cong , Fang Zhitang , Xu Lin , Lu Chunliang , Hou Wenhua
Published: September 2022

Improving the HER electrocatalytic activity of NiFe-LDH as well as retaining its OER performance through a facile NH3-inducing strategy.
Influence of a gold nano-bumps surface lattice array on the propagation length of strongly coupled Tamm and surface plasmon polaritons
Authors: Anulytė Justina , Bužavaitė-Vertelienė Ernesta , Vertelis Vilius , Stankevičius Evaldas , Vilkevičius Kernius , Balevičius Zigmas
Published: September 2022

Controlling and increasing the propagation length between Tamm and surface plasmons under a strong coupling regime using surface lattice arrays leads to better coherence properties of hybrid plasmonic modes.
Significant enhancement of piezoelectricity induced by oxygen adsorption in monolayer and multilayer MoS2
Authors: Wang Xinxin , Liu Haobo , Li Gaojie , Wang Guanghou , Wan Jianguo
Published: September 2022

The in-plane piezoelectricity increases with increasing the number of layers for O@MoS2. The vertical piezoelectricity of trilayer reaches 101.632 pm V−1, reaching the level of piezoelectric coefficients in state-of-the-art perovskites.
Social Media Use in Hearing Loss, Tinnitus, and Vestibular Disorders: A Systematic Review
Authors: Ulep Alyssa Jade , Deshpande Aniruddha K. , Beukes Eldré W. , Placette Aubry , Manchaiah Vinaya
Published: September 2022

Background:

People are increasingly using social media outlets for gathering health-related information. There has also been considerable interest from researchers and clinicians in understanding how social media is used by the general public, patients, and health professionals to gather health-related information. Interest in the use of social media for audiovestibular disorders has also received attention, although published evidence synthesis of this use is lacking. The objective of this review article was to synthesize existing research studies related to social media use concerning hearing loss, tinnitus, and vestibular disorders.

Method:

Comprehensive searches were performed in multiple databases between October and November 2020 and again in June 2021 and March 2022, with additional reports identified from article citations and unpublished literature. This review article was presented using the Preferred Reporting Items for Systematic Reviews and Meta-Analyses guidelines.

Results:

A total of 1,512 articles were identified. Of these, 16 publications met the inclusion criteria. Overall, social media offered people the platform to learn about hearing loss, tinnitus, and vestibular disorders via advice and support seeking, personal experience sharing, general information sharing, and relationship building. Research studies were more common on information and user activities seen on Facebook Pages, Twitter, and YouTube videos. Misinformation was identified across all social media platforms for each of these conditions.

Conclusions:

Online discussions about audiovestibular disorders are evident, although inconsistencies in study procedures make it difficult to compare these discussion groups. Misinformation is a concern needing to be addressed during clinical consultations as well as via other public health means. Uniform guidelines are needed for research regarding the use of social media so that outcomes are comparable. Moreover, clinical studies examining how exposure to and engagement with social media information may impact outcomes (e.g., help seeking, rehabilitation uptake, rehabilitation use, and satisfaction) require exploration.

Supplemental Material:

https://doi.org/10.23641/asha.20667672
Compassion Satisfaction, Occupational Stress, Burnout Syndrome, and Resilience Among Experienced Audiologists
Authors: Giddens Kate S. M. , Kelly-Campbell Rebecca J. , Näswall Katharina
Published: September 2022

Objective:

The aim of the research was to provide insight into compassion satisfaction (CS), resilience, burnout syndrome (BOS), and overall occupational stress levels of experienced audiologists.

Design:

This study was based on a four-part online questionnaire consisting of the Audiology Occupational Stress Questionnaire, the Professional Quality of Life Scale (Version 5), the Connor–Davidson Resilience Scale-10, and demographic questions.

Study Sample:

Fifty-nine audiologists with more than 5 years of experience completed the survey. Clinicians were from New Zealand, Australia, South Africa, the United States, Hong Kong, Israel, Singapore, and the United Kingdom.

Results:

The findings illustrate that no audiologists experienced high BOS or low CS scores. Positive correlations existed between resilience and CS and between BOS and overall occupational stress. Negative correlations were found between resilience and BOS, BOS and CS, CS and overall occupational stress, and resilience and overall occupational stress. Resilience (
p
= .015), CS (
p
< .001), and overall occupational stress (
p
< .001) were identified as being significant predictors of BOS. The top five occupational stressors for audiologists were reported as being staff shortages, administration duties, paperwork and patient reports, patient or family expectations to fix a client's hearing, and the amount time available with each patient. The differences in occupational stress experienced by private versus public audiologists were minimal, always being below 1 Likert point.

Conclusions:

Although audiologists do not report high levels of BOS, they report stress in their workplace. As stress was a significant predictor of BOS, audiologists could benefit from interventions aimed at reducing workplace stress.
Advanced direction of arrival estimation using step‐learnt iterative soft‐thresholding for frequency‐modulated continuous wave multiple‐input multiple‐output radar
Authors: Hong Seongmin , Kim Seong‐Cheol , Lee Seongwook
Published: September 2022

The number of antennas in automotive frequency‐modulated continuous wave (FMCW) multiple‐input multiple‐output (MIMO) radar systems is increasing. Existing greedy or subspace‐based methods cannot quickly and accurately estimate the direction of arrival (DoA) of the target. Therefore, we propose a fast and accurate DoA estimation algorithm for the automotive FMCW MIMO radar. To achieve both fastness and accuracy, we exploit the group sparsity in DoA estimation by defining the problem as a multiple measurement vector (MMV) compressive sensing and extend the step‐learnt iterative soft‐thresholding algorithm (SLISTA) to the MMV problem. To apply the extended SLISTA, we train the network in an unsupervised manner and normalise the input. We conduct experiments to evaluate the performance of the proposed method. Compared to the algorithms such as ISTA/FISTA/MFOCUSS that solve the same optimisation problem, the extended SLISTA exhibits the most accurate DoA estimation results for actual targets, with less execution time than a subspace‐based method. Moreover, the results show that the extended SLISTA prevents false detections, whereas greedy and subspace‐based methods do not.
Enterocytozoon bieneusi in patients with diarrhea and in animals in the northeastern Chinese city of Yichun: genotyping and assessment of potential zoonotic transmission
Authors: Zhou Kexin , Liu Mingchao , Wu Yanchen , Zhang Ran , Wang Ru , Xu Hui , Wang Yujia , Yao Lan , Yu Hongmei , Liu Aiqin
Published: September 2022

Enterocytozoon bieneusi is a common microsporidia species in humans and animals. Due to lack of effective vaccines and drugs, understanding of its epidemiological status and characteristics in different hosts is an important step in controlling the infection. The present study aimed at determining the prevalence of E. bieneusi in humans with diarrhea and animals in Yichun, in northeastern China, and assessing the epidemiological role of animals in the transmission of microsporidiosis. A total of 540 fecal samples were collected from diarrheal patients (n = 222) and 11 animal species (n = 318). Enterocytozoon bieneusi was identified and genotyped by polymerase chain reaction (PCR) and sequencing of the internal transcribed spacer (ITS) region of the rRNA gene. Enterocytozoon bieneusi was detected in 1.4% (3/222) of diarrheal patients, and genotype D and novel genotypes YCHH1 and YCHH2 were identified. Enterocytozoon bieneusi was detected in wild boars (7.7%), sika deer (8.2%), dogs (3.2%), and ostriches (10.7%), and genotypes D, Type IV, Peru6, BEB6 and novel genotypes YCHA1, YCHA2 and YCHA3 were identified. Genotypes YCHH1, YCHH2 and YCHA1 were phylogenetically assigned to group 1, while YCHA2 and YCHA3 to groups 2 and 11, respectively. The finding of genotype D in humans and animals, and the identification of zoonotic genotypes Peru6, Type IV, BEB6 in animal-derived E. bieneusi isolates indicate the potential of zoonotic transmission of microsporidiosis in the investigated area. The observation of the three novel genotypes in group 1 indicates their zoonotic potential.
Chapman–Enskog derivation of multicomponent Navier–Stokes equations
Authors: Arnault Philippe , Guisset Sébastien
Published: September 2022

There are several reasons to extend the presentation of Navier–Stokes equations to multicomponent systems. Many technological applications are based on physical phenomena that are present in neither pure elements nor in binary mixtures. Whereas Fourier's law must already be generalized in binaries, it is only with more than two components that Fick's law breaks down in its simple form. The emergence of dissipative phenomena also affects the inertial confinement fusion configurations, designed as prototypes for the future fusion nuclear plants hopefully replacing the fission ones. This important topic can be described in much simpler terms than it is in many textbooks since the publication of the formalism put forward recently by Snider [Phys. Rev. E 82, 051201 (2010)]. In a very natural way, it replaces the linearly dependent atomic fractions by the independent set of partial densities. Then, the Chapman–Enskog procedure is hardly more complicated for multicomponent mixtures than for pure elements. Moreover, the recent proposal of a convergent kinetic equation by Baalrud and Daligault [Phys. Plasmas 26, 082106 (2019)] demonstrates that the Boltzmann equation with the potential of mean force is a far better choice in situations close to equilibrium, as described by the Navier–Stokes equations, than Landau or Lenard–Balescu equations. In our comprehensive presentation, we emphasize the physical arguments behind Chapman–Enskog derivation and keep the mathematics as simple as possible. This excludes, as a technical non-essential aspect, the solution of the linearized Boltzmann equation through an expansion in Hermite polynomials. We discuss the link with the second principle of thermodynamics of entropy increase, and what can be learned from this exposition.
The role of detonation condensates on the performance of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) detonation
Authors: Christenson Joel G. , Fried Laurence E. , Bastea Sorin , Nielsen Michael H. , Willey Trevor M. , Bagge-Hansen Michael
Published: September 2022

Thermochemical models of detonation are widely used to estimate energy delivery, but they are based on the assumption that the carbon-rich condensates (soot) formed during detonation are very similar to bulk carbon. We present an analytic equation of state (EOS) based on experimental detonation data for soot formed during the detonation of triaminotrinitrobenzene (TATB)-based high explosives. X-ray photoelectron spectra of several detonation soots are used to determine the elemental nitrogen abundance, with surprisingly high values for TATB. The proposed TATB soot EOS is highly compressible at low pressures and shares some features of glassy carbon, exhibiting graphite- and diamond-like behavior as a function of pressure. We demonstrate the influence of formed soot on detonation performance, including a lowering of the detonation velocity at typical charge densities, and a more compressive product Hugoniot at overdriven conditions. The soot model improves the accuracy of thermochemical calculations for TATB-based explosives across a wide range of states. Detonation velocity predictions for HMX (cyclotetramethylene-tetranitramine)-TATB blends with 80% or more TATB content, as well predictions for 1,3-diamino-2,4,6-trinitrobenzene (DATB) and 3-nitro-1,2,4-triazol-5-one (NTO), which share some features with TATB, are also improved.
A theory for the stabilization of polar crystal surfaces by a liquid environment
Authors: Cox Stephen J.
Published: September 2022

Polar crystal surfaces play an important role in the functionality of many materials and have been studied extensively over many decades. In this article, a theoretical framework is presented that extends existing theories by placing the surrounding solution environment on an equal footing with the crystal itself; this is advantageous, e.g., when considering processes such as crystal growth from solution. By considering the polar crystal as a stack of parallel plate capacitors immersed in a solution environment, the equilibrium adsorbed surface charge density is derived by minimizing the free energy of the system. In analogy to the well-known diverging surface energy of a polar crystal surface at zero temperature, for a crystal in solution it is shown that the “polar catastrophe” manifests as a diverging free energy cost to perturb the system from equilibrium. Going further than existing theories, the present formulation predicts that fluctuations in the adsorbed surface charge density become increasingly suppressed with increasing crystal thickness. We also show how, in the slab geometry often employed in both theoretical and computational studies of interfaces, an electric displacement field emerges as an electrostatic boundary condition, the origins of which are rooted in the slab geometry itself, rather than the use of periodic boundary conditions. This aspect of the work provides a firmer theoretical basis for the recent observation that standard “slab corrections” fail to correctly describe, even qualitatively, polar crystal surfaces in solution.
Ion trap frequency measurement from fluorescence dynamics
Authors: Saito K. , Saito R. , Mukaiyama T.
Published: September 2022

In this paper, we propose and demonstrate a new method for measuring the trap frequency from the fluorescence dynamics of an ion, initiated using fast trap-center displacement. Here, we observe the coherently excited motion of an ion in a harmonic trap using time-resolved fluorescence detection. Furthermore, Fourier analysis of the ion fluorescence signal was used to determine the trap frequency of an ion with high precision and reproducibility. The results show that our proposed method can be an alternative way to determine trap frequencies in an ion trap experiment.
An X-band high-power and high-efficiency coaxial relativistic klystron oscillator with four-gap buncher and three-gap extractor
Authors: Zhang Peng , Dang Fangchao , Ge Xingjun , Shu Ting , Hu Xiaodong , Chi Hang , He Juntao
Published: September 2022

Because of the scaling invariance, the over-mode ratio of the coaxial resonator can be increased to increase the power handling capability. However, as the over-mode ratio increases, the characteristic impedance and external quality factor decrease, which causes the modulation of the electron beam to be weakened. Moreover, when the output microwave power increases, the double-gap output cavity will suffer from severe radio frequency breakdown. Therefore, an X-band high-power and high-efficiency coaxial relativistic klystron oscillator with a four-gap modulation cavity and a three-gap extraction cavity is proposed. First, a four-gap modulation cavity can increase the modulation depth of the electron beam to improve the beam-wave conversion efficiency. The operating mode of the modulation cavity is the 3π/4 mode of the coaxial TM01 mode. Second, a three-gap extraction cavity is adopted to enhance the microwave extraction energy and reduce the RF field strength. The simulation results show that when the diode voltage is 650 kV, the beam current is 15.4 kA, and the guiding magnetic field is 0.48 T, the device outputs a microwave power of 4.2 GW, a frequency of 8.4 GHz, and an efficiency of 42%.
High-frequency radio-wave emission by coherent transition radiation of runaway electrons produced by lightning stepped leaders
Authors: Guo L. , Zhang H.-W. , Wu H.-C.
Published: September 2022

Lightning can produce multiband radio waves and high-energy radiations. Some of them are associated with the formation of lightning leaders. However, their generation mechanisms are not fully understood yet. Based on the understanding of thermal runaway electrons generated at the leader tip, we propose transition radiation of these runaway electrons as an alternative mechanism for producing very-high-frequency radio signals. Transition radiations are induced when runaway electrons cross the interfaces between lightning coronas and the air. By the use of estimated parameters of electron beams emerging from the leader tips, we calculate their coherent transition radiation and find that the energy spectra and radiation powers are consistent with some detection results from stepped leaders and even narrow bipolar events. Moreover, our model also predicts strong THz radiation during the stepped-leader formation. As a standard diagnosis technique of electron bunches, the proposed coherent transition radiation here may be able to reconstruct the actual properties of electron beams in the leader tips, which remains an open question.
An intermediate model for fitting triplet–triplet annihilation in phosphorescent organic light emitting diode materials
Authors: Niyonkuru Paul , Proudian Andrew P. , Jaskot Matthew B. , Zimmerman Jeramy D.
Published: September 2022

Triplet–triplet annihilation (TTA) is one of the primary contributors to efficiency roll-off and permanent material degradation in phosphorescent organic light-emitting diodes. The two limiting case models typically used to quantify this quenching mechanism are multi-step Dexter and single-step Förster, which, respectively, assume ideal Fickian diffusion or perfect trapping of triplet excitons. For device-relevant guest doping levels (typically 5–12 vol. %), both significant diffusion of excitons and trapping due to spatial and energetic disorder exist, so neither conventional model fits experimental data well. We develop and validate an intermediate TTA model, which is a weighted average of the limiting cases of pure radiative decay (no TTA) and multi-step Dexter based TTA that returns an effective TTA rate constant and a parameter quantifying the portion of well-isolated excitons. Kinetic Monte-Carlo simulations and time-resolved photoluminescence measurements of an archetype host–guest system demonstrate that our intermediate model provides significantly improved fits with more realistic physical values, is more robust to variations in experimental conditions, and provides an analysis framework for the effects of trapping on TTA.