bluuebunny/crossref_metadata_2025 huggingface dataset:
Simulation‐based mastery learning for intrathecal baclofen pump management in physical medicine and rehabilitation: A pilot study
Authors: Kivlehan Emily , Branch Dana , Reger Christopher , Rojas Ana‐Marie
Published: November 2023

Background

Simulation‐based mastery learning (SBML) has demonstrated superiority as a procedural learning method. Implementation of SBML in Physical Medicine and Rehabilitation (PM&R) education has not been described and there is a paucity of literature regarding standardized procedural learning in this specialty.

Objective

To evaluate if implementation of intrathecal baclofen pump management SBML affects knowledge, attitudes, and skills in PM&R residents.

Design

Pretest–posttest design.

Setting

Academic rehabilitation hospital.

Participants

Twenty‐two PM&R residents.

Interventions

Participants engaged in SBML steps: pre‐test, demonstration of proper technique, deliberate practice, and a post‐test.

Main Outcome Measures

Ability to achieve minimum passing score, quiz scores, and survey scores. Pre‐ and post‐test results were compared using Wilcoxon signed‐rank tests. Post graduate year (PGY)‐3 and PGY‐4 resident results were compared using Mann–Whitney U tests.

Results

Based on institutional expert consensus, a simulation procedural checklist was created with a minimum passing score set at correctly performing 30 of 31 items. On pre‐test, no learners achieved the minimum passing score (22.5, interquartile range [IQR] 17.0–23.0). Initial post‐test score for all learners was 30 (IQR 29.8–31.0). Six learners required additional attempts to reach mastery as defined by reaching the minimum passing score. Quiz scores significantly improved from 9 to 11 (pre‐test IQR 9–10; post‐test IQR 10–11; p < .05). Confidence in procedure significantly improved (pre‐test 2.7/5.9, IQR 2.2–3.8; post‐test 4.1/5.0, IQR 3.7–4.5; p < .01). Likelihood to perform procedure in future practice did not change (pre‐test 2.2, IQR 1.0–3.8; post‐test 3.0, IQR 1.0–4.0; p = .89).

Conclusion

SBML is an effective tool to improve multiple domains of learning in PM&R residents.
A structural analysis of the nsp9 protein from the coronavirus MERS CoV reveals a conserved RNA binding interface
Authors: Mani Gayathri , El‐Kamand Serene , Wang Bing , Baker David L. , Ataide Sandro F. , Artsimovitch Irina , Cubeddu Liza , Gamsjaeger Roland
Published: November 2023

Middle East respiratory syndrome coronavirus (MERS CoV) and severe acute respiratory syndrome coronavirus 2 (SARS CoV‐2) are RNA viruses from the Betacoronavirus family that cause serious respiratory illness in humans. One of the conserved non‐structural proteins encoded for by the coronavirus family is non‐structural protein 9 (nsp9). Nsp9 plays an important role in the RNA capping process of the viral genome, where it is covalently linked to viral RNA (known as RNAylation) by the conserved viral polymerase, nsp12. Nsp9 also directly binds to RNA; we have recently revealed a distinct RNA recognition interface in the SARS CoV‐2 nsp9 by using a combination of nuclear magnetic resonance spectroscopy and biolayer interferometry. In this study, we have utilized a similar methodology to determine a structural model of RNA binding of the related MERS CoV. Based on these data, we uncover important similarities and differences to SARS CoV‐2 nsp9 and other coronavirus nsp9 proteins. Our findings that replacing key RNA binding residues in MERS CoV nsp9 affects RNAylation efficiency indicate that recognition of RNA may play a role in the capping process of the virus.
Nutraceutical formulation for immune system modulation: Active constituents, in vitro antibacterial and immunomodulatory activity, and metabolomics analysis
Authors: Faggian Marta , Bernabè Giulia , Pauletto Anthony , Loschi Francesca , Tezze Caterina , Merlo Roberto , Merlo Lucio , Sut Stefania , Ferrarese Irene , Brun Paola , Castagliuolo Ignazio , Peron Gregorio , Dall'Acqua Stefano
Published: November 2023

There is a large demand for nutraceuticals in the market and studies related to their action are needed. In this paper, the antimicrobial activity and the immunomodulatory effect of a nutraceutical formulation containing 14.39% of ascorbic acid, 7.17% of coenzyme Q10, 1.33% of Echinacea polyphenols, 0.99% of pine flavan‐3‐ols, 0.69% of resveratrol and 0.023% of Echinacea alkylamides were studied using in vitro assays and cell‐based metabolomics. Chromatographic analysis allowed us to study the nutraceutical composition. The antibacterial activity was evaluated on S. aureus, K. pneumoniae, P. aeruginosa, E. coli, H. influenzae, S. pyogenes, S. pneumoniae and M. catarrhalis. The immunomodulatory activity was assessed on human macrophages and dendritic cells. The production of IL‐1β, IL‐12p70, IL‐10 and IL‐8 was evaluated on culture medium by ELISA and the activation/maturation of dendritic cells with cytofluorimetric analysis. Treated and untreated macrophages and dendritic cell lysates were analysed by liquid chromatography coupled with high‐resolution mass spectrometry, and results were compared using multivariate data analysis to identify biological markers related to the treatment with the food supplement. The food supplement decreased K. pneumoniae, P. aeruginosa, E. coli, Methicillin‐resistant Staphylococcus aureus (MRSA) and M. catharralis growth, reduced the inflammatory response in macrophages exposed to lipopolysaccharide (LPS) and modulated the activation and maturation of the dendritic cells. Oxidized phospholipids were identified as the main biological markers of treated cell lysates, compared with controls.
Simple scaling of the empirical London dispersion corrections in DFT geometry optimizations of prototypical nonlinear optical crystals
Authors: Mairesse François , Champagne Benoît
Published: November 2023

The quantum treatment of electrons at the Kohn‐Sham Density Functional Theory (DFT) level of approximation is used in order to optimize the structure of four organic and organo‐metallic crystalline systems, starting from experimentally determined structures, allowing subsequent quantum‐level theoretical analysis, the accent here being put on crystals having nonlinear optical (NLO) properties. By employing DFT, one must select an exchange‐correlation functional (XCF), that is, a mathematical description of the electron interactions. Among most of the XCFs, a well‐known general discrepancy is the lack of London‐type interactions description. One of the most popular correction schemes consists of adding a posteriori the contribution of these interactions by using empirical expressions. Here, the approach relies on the simple D* scheme, a variation of the D2 correction originally elaborated by Grimme for molecular clusters, where the D2 correction is scaled to account for the interactions in the crystal solid state. The performance of this simple D* scheme is demonstrated and the most suitable scaling factors for four prototypical organic and organo‐metallic NLO crystals are determined for four representative XCFs: zero (no correction) for PBESol, PBESol0, and B97X, and 0.7 for B3LYP.
Principal stratification for quantile causal effects under partial compliance
Authors: Sun Shuo , Nešlehová Johanna G. , Moodie Erica E. M.
Published: November 2023

Within the principal stratification framework in causal inference, the majority of the literature has focused on binary compliance with an intervention and modelling means. Yet in some research areas, compliance is partial, and research questions—and hence analyses—are concerned with causal effects on (possibly high) quantiles rather than on shifts in average outcomes. Modelling partial compliance is challenging because it can suffer from lack of identifiability. We develop an approach to estimate quantile causal effects within a principal stratification framework, where principal strata are defined by the bivariate vector of (partial) compliance to the two levels of a binary intervention. We propose a conditional copula approach to impute the missing potential compliance and estimate the principal quantile treatment effect surface at high quantiles, allowing the copula association parameter to vary with the covariates. A bootstrap procedure is used to estimate the parameter to account for inflation due to imputation of missing compliance. Moreover, we describe precise assumptions on which the proposed approach is based, and investigate the finite sample behavior of our method by a simulation study. The proposed approach is used to study the 90th principal quantile treatment effect of executive stay‐at‐home orders on mitigating the risk of COVID‐19 transmission in the United States.
Surface‐Modified ZnCo2O4 Nanoparticles as Binder‐Free Electrode for All Solid‐State Asymmetric Supercapacitor
Authors: Sekhar Tripathi Himadri , Chatterjee Piyali , Singha Achintya , Chakraborty Amit K.
Published: November 2023

Choice of electrode material is crucial to the development of high‐performance supercapacitors. Since surface properties are key to the performance of an electrode material for supercapacitors, surface chemical treatment of electrode materials is an interesting topic of research. ZnCo2O4 (ZCO) is a low‐cost binary transition metal oxide with high theoretical conductivity and charge storage capacity making it a good choice for supercapacitor electrode. Herein, we present a systematic investigation of the influence of four different surface modifier (3 surfactants, 1 mineralizer) on ZCO electrode directly grown on Ni foam to compare the relative influence on the performance of the modified ZCO electrode. Analyses of the modified ZCO electrodes revealed the formation of cubic spinel phase of ZCO with average particle size of ~30 nm. The sodium dodecyl sulfate (ZCO−S) modified electrode (ZCO−S) exhibited the best electrochemical performance with specific capacitance of 1988 F/g at 1 A/g and 87 % capacity retention after 7000 cycles at 10 A/g. Further, an all‐solid‐state asymmetric supercapacitor (ASC) was fabricated with ZCO−S on Ni foam and carbon nanotube combination which exhibited specific capacitance of 102 F/g at 1 A/g corresponding to power density of ~1599 W‐kg−1 establishing ZCO−S as a very good electrode material for supercapacitor.
Synthesis, Characterization, Hirshfeld Surface Analysis, DFT Study and Molecular Docking of 1,3‐Bis(4‐chlorophenyl)‐ 5‐(4‐chlorobenzyl)‐1,3,5‐triazinane
Authors: Lamraoui Hanane , Zegheb Nadjiba , Benmekhbi Lotfi , Khadri Amina , Ababsa Saida , Lamraoui Imane , Lamraoui Messaouda , Aissani Linda , Bouchemma Ahcen
Published: November 2023

A new compound, 1,3‐bis(4‐chlorophenyl)‐5‐(4‐chlorobenzyl)‐1,3,5‐triazinane, C22H20Cl3N3 (I), was synthesized, and its structure was determined by X‐ray diffraction, along with various spectroscopic methods, UV‐VIS, FT‐IR, NMR 1H and 13C. The crystal belongs to the monoclinic system with a=7.1503 (5) Å; b=12.9506(10) Å; c=21.9709 (16) Å; β=96.637(2)° and space group P21/c. Hirshfeld surface analysis and two‐dimensional fingerprint plots were used to quantify the interatomic interactions present in the crystal. The molecular structure of (I) was determined by DFT calculations using the BP86‐D functional and a TZP basis set. The geometry optimizations and vibrational frequencies were calculated, and Natural atomic orbital charges were investigated using NBO 6.0 program.
Importance of the Amino Moiety of the Hydrazone Group in the Electrochemical and UV‐Vis Absorption Properties of Simple Isomeric Hydrazones
Authors: Castaño Jorge A. , Galindo Betancourth Jolaine , Chaur Manuel N.
Published: November 2023

The development of new useful supramolecular systems, as well as the optimization of existing ones, depends on the understanding of the intrinsic properties of each of the components that constitute them. A representative component of supramolecular systems are hydrazones, which can undergo three different, orthogonal dynamic processes (conformational, constitutional, and configurational) thanks to the leading role played by the amino‐like moiety of their hydrazone groups. Herein, we study the electrochemical and UV‐Vis absorption properties of two structurally related pyridylhydrazones in different solvents and analyze them in terms of the chemical environment of the corresponding hydrazone group. In this way, we establish that both the electrochemical and UV‐Vis absorption properties are mainly dominated by the additional polarization of the N−H bond, i. e., by the electron density around the nitrogen atom.
β‐Cyclodextrin‐Modified Cobalt Nanoparticles as 5‐Fluorouracil Carriers
Authors: Akash Bose Allben , Kanagaraj Suganya , Sundaravadivelu Sumathi , Varalakshmi Govindaraj Sri , Manikantan Varnitha , Pillai Archana Sumohan , Alexander Aleyamma , Enoch Israel V. M. V.
Published: November 2023

Metal nanoparticles having magnetic properties are exciting for application in the directed transport of anticancer drugs encapsulated in them. To ensure drug‐loading capacity and controlled release, surface modification with host molecules is a fascinating choice. In this paper, we report the synthesis and surface modification of magnetic cobalt metal nanoparticles with oligosaccharide host molecules (β‐cyclodextrin) tethered on the surface. A β‐cyclodextrin‐folate derivative is synthesized and characterized using Infrared‐, Nuclear Magnetic Resonance‐, and Matrix‐Assisted Laser Deposition Ionization‐Time of Flight mass spectrometry. The size of the cobalt nanoparticles carrying the host molecule on the surface is ~10 nm. The nanoparticles are characterized using X‐Ray Diffraction, Transmission Electron Microscopy, particle size analyzer, Energy‐Dispersive X‐ray, and X‐ray Photoelectron Spectroscopy. The bare magnetic nanoparticles also show a strong saturation magnetization of 142.21 emu g−1. The chemotherapeutic drug 5‐fluorouracil is loaded on the surface‐modified cobalt nanoparticles through host: guest complexation mode and its controlled release is measured in‐vitro. The slow release is spread over more than 14 days, and a complete release of the loaded therapeutic cargo is not reached. The release is pH‐dependent and changes with acidic levels of the medium. The anticancer activity of the drug‐loaded nanocarrier on MDA‐MB‐231 (breast cancer) cells is investigated. The mechanism of cell death is studied, and the cells are found inhibited in the synthesis phase. Flow cytometric analysis shows that 79.70 % of the empty nanocarrier‐treated and 74.86 % 5‐fluorouracil‐loaded nanocarrier‐treated MDA‐MB‐231 cells were in the early apoptosis phase. This new combination nanocarrier is intriguing owing to its structural and magnetic properties, and the action on cell lines.
Rapid Scale‐up Room‐temperature Synthesis of Cu‐BTC and Its Adsorption Properties for Light Hydrocarbons
Authors: Li Ying , Li Jianzhe , Zhang Hongxing , Yin Shumeng , Wang Shiqiang , Tao Bin
Published: November 2023

Light hydrocarbon (C2~C3) adsorption treatment in order to achieve exhaust emission standards of volatile organic compounds (VOCs) is very important and urgent in oil refining and oil storage enterprises. As an important adsorbent, metal‐organic frameworks (MOFs) with large specific surface area and good designability show excellent adsorption properties for light hydrocarbon. In this paper, by replacing the nitrate commonly used in the synthesis of MOFs with alkali metal, and adding a certain proportion of competing carboxylic acid into the reaction system, Cu‐BTC with improved pore structure and adsorption performance of light hydrocarbon was prepared at room temperature. More impressively, 10 L and 100 L scale‐up synthesis of Cu‐BTC were carried out by this method, which remained high light hydrocarbon adsorption capacities, showing great application prospect in the field of VOCs treatment.
Trajectories of depressive symptoms early in the course of bereavement: Patterns, psychosocial factors and risk of prolonged grief
Authors: Majd Marzieh , Chen Michelle A. , Chirinos Diana A. , Brown Ryan L. , LeRoy Angie S. , Murdock Kyle W. , Wu‐Chung E. Lydia , Thayer Julian F. , Fagundes Christopher P.
Published: November 2023

In the context of bereavement, little is known about the mechanisms that differentiate normative adjustment patterns from those that may indicate potential psychopathology. This study aimed to replicate and extend previous work by (1) characterizing the trajectories of depressive symptoms from 3 to 12 months after the loss of a spouse, (2) examining whether (a) childhood maltreatment and attachment style predicted distinct depression trajectories, and (b) different depression trajectories were associated with the risk of prolonged grief at 12 months post‐loss. Recently bereaved individuals (N = 175) completed self‐report assessments at 3, 4, 6, and 12‐months post‐loss. Trajectories of depressive symptoms were estimated using group‐based trajectory modelling. Four distinct trajectories of depressive symptoms were identified: (1) resilience (minimal/no depression across time points; 45%), (2) moderate depression‐improved (alleviated to ‘mild’ by 12 months; 31%), (3) severe depression‐improved (alleviated to ‘moderate’ by 12 months; 15%), and (4) chronic depression (‘severe’ symptoms across time points; 9%). Higher childhood maltreatment predicted a greater likelihood of belonging to the ‘severe depression‐improved’ and ‘chronic depression’ groups than the ‘resilient’ and ‘moderate depression‐improved’ groups. Widow(er)s with higher attachment anxiety were more likely to belong to the ‘severe depression‐improved’ and ‘chronic depression’ groups than the ‘resilient’ group. The trajectory groups with persistent levels of depressive symptoms up until 6 months were more likely to exhibit prolonged grief at 12 months post‐loss. Changes from pre‐loss functioning cannot be estimated. Our findings provide insight into the early identification of post‐loss prolonged grief.
Hunting for talent: Firm‐driven labor market search in the United States
Authors: Black Ines , Hasan Sharique , Koning Rembrand
Published: November 2023

Research Summary

We analyze firm‐driven labor market search, where firms “hunt” for talent rather than rely on workers to apply for vacancies. We leverage three approaches. We develop a model of firm‐driven search and derive equilibrium conditions under which firms use this channel. We test our model's predictions using two data sources. Data from a nationally representative survey of 10,000 workers shows that the percentage hired through recruiting has increased from 4.9% in 1991 to 14.3% in 2022. This share is larger for higher‐skilled workers and those with online profiles on LinkedIn. We complement this analysis with data on the near universe of online job postings from 2010 through 2020. Consistent with our model and worker survey evidence, we find firms that demand higher‐skilled workers or operate in labor markets with heavy LinkedIn use are more likely to “hunt for talent.”

Managerial Summary

We study the phenomenon of “hunting” for talent, where firms fill open positions by searching for workers and inviting them to a recruiting process, rather than relying on workers to apply directly. We find that the percentage of workers hired through hunting has increased from 4.9% in 1991 to 14.3% in 2022. We propose that firms that rely more on high‐skilled workers and/or operate within industries with a higher share of available candidates with online profiles are more likely to hunt for their talent. We find support for this conjecture using two data sets, documenting the worker and firm side of the labor market. Data from a nationally representative survey of 10,000 workers shows they are more likely to have been “hunted” by their employer if they work in an occupation that requires more skills, or if their industry has more candidates with online profiles. Moreover, data on US‐wide job postings over the past decade shows that firms in need of highly skilled workers are more likely to invest in outbound recruiting capabilities.
The role of information in the gender gap in the market for top managers: Evidence from a quasi‐experiment
Authors: Tsolmon Ulya
Published: November 2023

Research Summary

This study examines the role of information in the gender gap in the executive labor market from the market frictions perspective. I ask whether increases in objective and reliable information about managerial quality close the gender gap in career advancements. To obtain exogenous variation in the availability of information, I exploit a natural experiment provided by the adoption of the International Financial Reporting Standards (IFRS) in 2005 by the European Union countries. I find that when reliable and objective information is more available, women executives are more likely to be hired away with promotion than men, especially from high‐performing firms. However, the gains in advancement rates are dampened in regions where societal views on women in the workplace are less favorable.

Managerial Summary

Bridging opportunity gaps for underrepresented groups remains a significant challenge for firms and policymakers. This research investigates the role of transparent financial disclosures by firms in closing the gender gap in executive promotions. Utilizing the adoption of the IFRS in EU countries, the study finds that women executives are more likely to be hired away with promotion than men, especially from high‐performing firms. However, less favorable societal views about working women weaken these effects. The study suggests that firms can leverage informational asymmetry in the labor market to access high‐quality managerial resources. Concurrently, firms must be cognizant of how financial regulations may affect their competitive edge in the executive talent market and adjust their internal retention policies accordingly.
The new needs friends: Simmelian strangers and the selection of novelty
Authors: Lampraki Athanasia , Kolympiris Christos , Grohsjean Thorsten , Dahlander Linus
Published: November 2023

Research Summary

The paradox of rejecting novel ideas while being motivated to select them exists in many realms. Deviating from prior research that investigated several internal levers to promote the funding of novel ideas in the sciences, we focus on an external lever by investigating how seconded employees increase the selection of novel ideas in two ways: (1) they select more novel ideas themselves, and (2) they influence permanent employees to do the same. Combining unique quantitative longitudinal data and 37 in‐depth interviews, we test our predictions in the secondment program at the National Science Foundation and find broad support for our theoretical arguments. Our findings have implications for scholars of science and innovation by proposing a relatively light‐touch intervention to facilitate the selection of novel ideas.

Managerial Summary

Organizations often face a paradox: they want to select novel ideas but tend to reject them. This study shifts focus from internal measures to an external solution, examining how seconded employees can help. Through both quantitative data and interviews at the National Science Foundation's secondment program, we found that seconded employees choose more novel ideas and influence permanent staff to do the same. This suggests a simple intervention can significantly boost the acceptance of innovative ideas, offering valuable insights for those in the science and innovation. Understanding this dynamic can empower managers to strategically leverage seconded employees, fostering a more innovative and adaptive organizational culture.
A Regulable Polyporous Graphite/Melamine Foam for Heat Conduction, Sound Absorption and Electromagnetic Wave Absorption
Authors: Li Zijing , Zhang Limin , Wu Hongjing
Published: November 2023

To reduce electromagnetic interference and noise pollution within communication base stations and servers, it is necessary for electromagnetic wave absorption (EWA) materials to transition from coating to multifunctional devices. Up to now, the stable and effective integration of multiple functions into one material by a simple method has remained a large challenge. Herein, a foam‐type microwave absorption device assembled with multicomponent organic matter and graphite powder is synthesized by a universal combination process. Melamine and phenolic aldehyde amine work as the skeleton and cementing compound, respectively, in which graphite is embedded in the cementing compound interconnected into the mesoscopic 3D electric conductive and heat conductive network. Interestingly, the prepared flexible graphite/melamine foam (CMF) delivers a great EWA performance, with a great effective absorption bandwidth of 9.8 GHz, ultrathin thickness of 2.60 mm, and a strong absorption reflection loss of −41.7 dB. Moreover, the CMF possesses porosity and flexibility, endowing it with sound absorption ability. The CMF is unique in its integration of EWA, heat conduction, sound absorption, and mechanical robustness, as well as its cost‐effective and scalable manufacturing. These attributes make CMF promising as a multifunctional device widely used in communication base stations, servers, and chips protection.
Pyrolysis Free Out‐of‐Plane Co‐Single Atomic Sites in Porous Organic Photopolymer Stimulates Solar‐Powered CO2 Fixation
Authors: Paul Ratul , Boruah Ankita , Das Risov , Chakraborty Subhajit , Chahal Kapil , Deka Dhruba Jyoti , Peter Sebastian C. , Mai Binh Khanh , Mondal John
Published: November 2023

Herein, a facile strategy is illustrated to develop pyrolysis‐free out‐of‐plane coordinated single atomic sites‐based M‐POP via a one‐pot Friedel Craft acylation route followed by a post‐synthetic metalation. The optimized geometry of the Co@BiPy‐POP clearly reveals the presence of out‐of‐plane Co‐single atomic sites in the porous backbone. This novel photopolymer Co@BiPy‐POP shows extensive π‐conjugations followed by impressive light harvesting ability and is utilized for photochemical CO2 fixation to value‐added chemicals. A remarkable conversion of styrene epoxide (STE) to styrene carbonate (STC) (≈98%) is obtained under optimized photocatalytic conditions in the existence of promoter tert‐butyl ammonium bromide (TBAB). Synchrotron‐based X‐ray adsorption spectroscopy (XAS) analysis reveals the single atom coordination sites along with the metal (Co) oxidation number of +2.16 in the porous network. Moreover, in situ diffuse reflectance spectroscopy (DRIFTS) and electron paramagnetic resonance (EPR) investigations provide valuable information on the evolution of key reaction intermediates. Comprehensivecomputational analysis also helps to understand the overall mechanistic pathway along with the interaction between the photocatalyst and reactants. Overall, this study presents a new concept of fabricating porous photopolymers based on a pyrolysis‐free out‐of‐plane‐coordination strategy and further explores the role of single atomic sites in carrying out feasible CO2 fixation reactions.
Gas Phase‐Heat Absorption‐Condensate Phase Stepwise Flame Retardant Strategy to Prepare Coal Tar Pitch‐Based Porous Carbon for Supercapacitor
Authors: Wang Tao , Wu Dongling , Tao Yuan , Ren Pengxu , Chen Bolang , Jia Dianzeng
Published: November 2023

Porous carbon is widely used in energy storage‐conversion systems, and the question of how to explore an efficient strategy for preparation is very significant. Herein, the flame retardant capability of (NH4)2SO4/Mg(OH)2 that contains gas phase‐heat absorption‐condensate phase components is assisted to carbonize coal tar pitch in air and obtain the porous carbon. The mechanism of stepwise inflaming retarding is systematically investigated. In the carbonization process in a muffle furnace, (NH4)2SO4 decomposes releasing gases at below 400 °C to act as the role of gas phase flame retardant. Mg(OH)2 starts to decompose at ≥ 400 °C, and it has the effect of heat absorption and condensed phase flame retardation (MgSO4 and MgO). What's more, the flame retardant also serves as an N, S source and template. The obtained porous carbon possesses an ultrahigh carbon yield of 56.9 wt.%, hierarchical pore structure, and multi‐heteroatoms doping. It can still reach up to 244.7 F g−1 even loaded 20 mg of active material. In addition, the (NH4)2SO4/agar gel electrolyte is synthesized, and the fabricated flexible ammonium ion capacitor exhibits a superior energy density of 40.8 Wh kg−1. This work uncovers a new way to construct porous carbon, which is expected to synthesize more carbon materials using other carbon sources.
Engineering High‐Spin State Cobalt Cations in Sulfide Spinel for Enhancing Water Oxidation
Authors: Bo Shuowen , An Qizheng , Zhang Xiuxiu , Wang Hui‐juan , Han Juguang , Cheng Weiren , Liu Qinghua
Published: November 2023

The spin states of active sites have a significant impact on the adsorption/desorption ability of the reaction intermediates during the oxygen evolution reaction (OER). Sulfide spinel is not generally considered a highly efficient OER catalyst owing to the low spin state of Co3+ and the lack of unpaired electrons available for adsorption of reaction intermediates. Herein, it is proposed a novel Nd‐evoked valence electronic adjustment strategy to engineer the spin state of Co ions. The unique f‐p‐d orbital electronic coupling effect stimulates the rearrangement of Co d orbital electrons and increases the eg electron filling to achieve high‐spin state Co ions, which promotes charge transport by propagating a spin channel and generates a high number of active sites for intermediate adsorption. The optimized CuCo1.75Nd0.25S4 catalyst exhibits outstanding electrocatalytic properties with a low overpotential of 320 mV at 500 mA cm−2 and a 48 h stability at 300 mA cm−2. In situ synchrotron radiation infrared spectra confirm the quick accumulation of key *OOH and *O intermediates. This work deepens the comprehensive understanding of the relationship between OER activity and spin configurations of Co ions and offers a new design strategy for spinel compound catalysts.
Ultra‐Efficient Synthesis of Nb4C3Tx MXene via H2O‐Assisted Supercritical Etching for Li‐Ion Battery
Authors: Tang Qi , Wang Yongbin , Chen Ningjun , Pu Ben , Qing Yue , Zhang Mingzhe , Bai Jia , Yang Yi , Cui Jin , Liu Yan , Zhou Bin , Yang Weiqing
Published: November 2023

Nb4C3Tx MXene has shown extraordinary promise for various applications owing to its unique physicochemical properties. However, it can only be synthesized by the traditional HF‐based etching method, which uses large amounts of hazardous HF and requires a long etching time (> 96 h), thus limiting its practical application. Here, an ultra‐efficient and environmental‐friendly H2O‐assisted supercritical etching method is proposed for the preparation of Nb4C3Tx MXene. Benefiting from the synergetic effect between supercritical CO2 (SPC‐CO2) and subcritical H2O （SBC‐H2O）, the etching time for Nb4C3Tx MXene can be dramatically shortened to 1 h. The as‐synthesized Nb4C3Tx MXene possesses uniform accordion‐like morphology and large interlayer spacing. When used as anode for Li‐ion battery, the Nb4C3Tx MXene delivers a high reversible specific capacity of 430 mAh g−1 at 0.1 A g−1, which is among the highest values achieved in pure‐MXene‐based anodes. The superior lithium storage performance of the Nb4C3Tx MXene can be ascribed to its high conductivity, fast Li+ diffusion kinetics and good structural stability.
Comparative analysis of diisononyl phthalate and di(isononyl)cyclohexane‐1,2 dicarboxylate plasticizers in regulation of lipid metabolism in 3T3‐L1 cells
Authors: Bereketoglu Ceyhun , Häggblom Isabel , Turanlı Beste , Pradhan Ajay
Published: November 2023

Diisononyl phthalate (DINP) and di(isononyl)cyclohexane‐1,2‐dicarboxylate (DINCH) are plasticizers introduced to replace previously used phthalate plasticizers in polymeric products. Exposure to DINP and DINCH has been shown to impact lipid metabolism. However, there are limited studies that address the mechanisms of toxicity of these two plasticizers. Here, a comparative toxicity analysis has been performed to evaluate the impacts of DINP and DINCH on 3T3‐L1 cells. The preadipocyte 3T3‐L1 cells were exposed to 1, 10, and 100 μM of DINP or DINCH for 10 days and assessed for lipid accumulation, gene expression, and protein analysis. Lipid staining showed that higher concentrations of DINP and DINCH can induce adipogenesis. The gene expression analysis demonstrated that both DINP and DINCH could alter the expression of lipid‐related genes involved in adipogenesis. DINP and DINCH upregulated Pparγ, Pparα, C/EBPα Fabp4, and Fabp5, while both compounds significantly downregulated Fasn and Gata2. Protein analysis showed that both DINP and DINCH repressed the expression of FASN. Additionally, we analyzed an independent transcriptome dataset encompassing temporal data on lipid differentiation within 3T3‐L1 cells. Subsequently, we derived a gene set that accurately portrays significant pathways involved in lipid differentiation, which we subsequently subjected to experimental validation through quantitative polymerase chain reaction. In addition, we extended our analysis to encompass a thorough assessment of the expression profiles of this identical gene set across 40 discrete transcriptome datasets that have linked to diverse pathological conditions to foreseen any potential association with DINP and DINCH exposure. Comparative analysis indicated that DINP could be more effective in regulating lipid metabolism.
6‐benzylaminopurine causes endothelial dysfunctions to human umbilical vein endothelial cells and exacerbates atorvastatin‐induced cerebral hemorrhage in zebrafish
Authors: Gong Guiyi , Kam Hiotong , Bai Yubin , Cheang Wai san , Wu Shuilong , Cheng Xiaoning , Giesy John P. , Lee Simon Ming‐yuen
Published: November 2023

6‐benzylaminopurine (6‐BA), a multifunctional plant growth regulator, which is frequently used worldwide to improve qualities of various crops, is an important ingredient in production of “toxic bean sprouts.” Although there is no direct evidence of adverse effects, its hazardous effects, as well as joint toxicity with other chemicals, have received particular attention and aroused furious debate between proponents and environmental regulators. By use of human umbilical vein endothelial cells (HUVECs), adverse effects of 6‐BA to human‐derived cells were first demonstrated in this study. A total of 25–50 mg 6‐BA/L inhibited proliferation, migration, and formation of tubular‐like structures by 50% in vitro. Results of Western blot analyses revealed that exposure to 6‐BA differentially modulated the MAPK signal transduction pathway in HUVECs. Specifically, 6‐BA decreased phosphorylation of MEK and ERK, but increased phosphorylation of JNK and P38. In addition, 6‐BA exacerbated atorvastatin‐induced cerebral hemorrhage via increasing hemorrhagic occurrence by 60% and areas by 4 times in zebrafish larvae. In summary, 6‐BA elicited toxicity to the endothelial system of HUVECs and zebrafish. This was due, at least in part, to discoordination of MAPK signaling pathway, which should pose potential risks to the cerebral vascular system.
SNHG1, interacting with SND1, contributes to sorafenib resistance of liver cancer cells by increasing m6A‐mediated SLC7A11 expression and promoting aerobic glycolysis
Authors: Li Rong , Li Shunle , Shen Lin , Li Junhui , Zhang Di , Yu Jinmin , Huang Lanxuan , Liu Na , Lu Hongwei , Xu Meng
Published: November 2023

Aerobic glycolysis plays an important role in multidrug resistance of cancer cells. Here, we screened different expressed lncRNAs associated with sorafenib resistance of liver cancer cells, by intersecting the bioinformatics analyses of TCGA and GEO (the GSE62813 dataset) databases. Our results revealed that the 18 upregulated lncRNAs in the intersection are associated with and enriched in metabolism of small molecule organic acids, suggesting their potential in glycolysis. The lncRNA small nucleolar RNA host gene 1 (Snhg1) was chosen as a potential regulator of aerobic glycolysis in liver cancer cells, for its significant promotion on lactate production. Gain‐ and loss‐of‐function experiments mediated by Crispr‐Cas9 technique in HepG2 cells indicated that Snhg1 promoted cell proliferation, invasion, sorafenib resistance, and aerobic glycolysis. In the mechanism exploration, we found that Snhg1 can interact with SND1 protein, a famous RNA binding protein and recently identified “Reader” of N6‐methyladenosine (m6A). SND1 was demonstrated to be positively regulated by Snhg1 and had similar promoting effects on proliferation, invasion, sorafenib resistance, and aerobic glycolysis of HepG2 cells. SND1 bound with and promoted the expression of SLC7A11, an aerobic glycolysis regulator. Furthermore, either silencing SLC7A11 or blocking aerobic glycolysis with 2‐deoxy‐d‐glucose (2‐DG) was able to reverse the promotion of Snhg1 overexpression on malignancy, sorafenib resistance, and aerobic glycolysis of HepG2 cells. Finally, in a liver cancer xenograft mouse model, we found that formed tumors with Snhg1‐knocked‐down HepG2 cells were more sensitive to sorafenib administration. Altogether, SNHG1 contributes to sorafenib resistance of liver cancer cells by promoting SND1‐m6A‐SLC7A11‐mediated aerobic glycolysis.
Diagnosis of superficial endometriosis on transvaginal ultrasound by visualization of peritoneum of pouch of Douglas
Authors: Bailey F. , Gaughran J. , Mitchell S. , Ovadia C. , Holland T. K.
Published: November 2023

Objective

Around 80% of women with endometriosis have superficial endometriosis (SE) rather than ovarian or deep endometriosis (DE). However, to date, advances in non‐invasive, imaging‐based diagnosis have been limited to DE or ovarian disease. The objective of this study was to determine whether we can detect SE on transvaginal ultrasound scan (TVS) by assessing the peritoneum of the pouch of Douglas (POD).

Methods

This was a retrospective diagnostic test study following a change in practice to include POD peritoneum assessment for SE during TVS at a tertiary London hospital. Eligible patients underwent TVS by a single clinician trained in endometriosis scanning and a subsequent surgical procedure (laparoscopy) between April 2018 and September 2021. Participants formed a consecutive series. The TVS findings were compared with those of laparoscopy as the gold standard. Comparison of TVS findings with intraoperative findings was performed by calculating the diagnostic test performance measures (sensitivity, specificity, positive predictive value (PPV), negative predictive value (NPV) and positive and negative likelihood ratios).

Results

The study included a total of 100 patients. We found that 43/100 (43.0%) patients had no endometriosis, 33/100 (33.0%) had SE and 24/100 (24.0%) had DE on laparoscopy. SE was correctly detected on TVS in 17/33 patients, with a sensitivity of 51.5% (95% CI, 33.5–69.2%), specificity of 94.0% (95% CI, 85.4–98.4%), PPV of 81.0% (95% CI, 60.8–92.1%) and NPV of 79.7% (95% CI, 73.4–84.9%). DE was correctly diagnosed in 20/24 cases, including all ovarian cases, with a sensitivity of 83.3% (95% CI, 62.3–95.3%), specificity of 97.4% (95% CI, 90.8–99.7%), PPV of 90.9% (95% CI, 71.6–97.5%) and NPV of 94.9% (95% CI, 88.3–97.8%). The detection of SE on TVS was most accurate in the POD (sensitivity, 50.0%; specificity, 96.4%; PPV, 76.9%; NPV, 88.9%).

Conclusions

This study shows that the detection of SE in the POD is possible using routine TVS. While negative TVS does not reliably confirm the absence of disease or replace diagnostic laparoscopy, positive TVS facilitates non‐invasive diagnosis for a much larger group of women than was previously possible. This should help to reduce the time from the onset of symptoms to diagnosis and enable initiation of medical treatment without the risk, cost and delay associated with a surgical diagnosis. © 2023 The Authors. Ultrasound in Obstetrics & Gynecology published by John Wiley & Sons Ltd on behalf of International Society of Ultrasound in Obstetrics and Gynecology.
Large time behavior of signed fractional porous media equations on bounded domains
Authors: Franzina Giovanni , Volzone Bruno
Published: November 2023

Following the methodology of Brasco (Adv Math 394:108029, 2022), we study the long-time behavior for the signed fractional porous medium equation in open bounded sets with smooth boundary. Homogeneous exterior Dirichlet boundary conditions are considered. We prove that if the initial datum has sufficiently small energy, then the solution, once suitably rescaled, converges to a nontrivial constant sign solution of a sublinear fractional Lane–Emden equation. Furthermore, we give a nonlocal sufficient energetic criterion on the initial datum, which is important to identify the exact limit profile, namely the positive solution or the negative one.
Longitudinal structuring of stream-fish assemblages: is niche partitioning observed in two-species systems applicable to three-species systems?
Authors: Morita Kentaro , Tsuboi Jun-ichi , Sahashi Genki , Futamura Ryo , Ueda Kazutoshi , Kuroki Mari
Published: November 2023

Longitudinal distribution and niche partitioning phenomena have been extensively reported for streams containing two salmonid species but remain poorly understood for streams containing three or more salmonid species. Herein, we examined the abiotic environmental variables and population densities of fishes, including three salmonids, in 30 reaches of the Setose River, Hokkaido, Japan, across altitudes (120–450 m) and maximum water temperature (15–26 °C) gradients to determine the distribution of major fish species in this system. The densities of white-spotted charr Salvelinus leucomaenis, southern Asian Dolly Varden Salvelinus curilus, masu salmon Oncorhynchus masou, fluvial sculpin Cottus nozawae, and stone loach Barbatula oreas varied along environmental gradients despite their wide distribution sympatrically. We further investigated the interspecific interactions between three potentially competitive salmonids, white-spotted charr, Dolly Varden, and masu salmon. We observed that in the three-species system, including upstream Dolly Varden, salmon occupied upstream areas colder than those inhabited by charr, which is contrary to the pattern reported for charr and salmon two-species systems, wherein charr are found in the colder upstream areas. In underwater observations, salmon preferred faster water velocities than charr and Dolly Varden. Dolly Varden were found exclusively on the riverbed, followed by charr, whereas salmon occurred further away from the riverbed. Analysis of the stomach contents revealed that all three salmonids depended on terrestrial insects, but only Dolly Varden consumed benthic aquatic insects. In our three-species system that included Dolly Varden (preadapted to benthos foraging), no difference was observed in the degree of terrestrial insect consumption between charr and salmon. These results are in striking contrast to the reports of charr preying on relatively more aquatic insects than those consumed by salmon in charr and salmon two-species systems. Therefore, we speculate that Dolly Varden and salmon influence interspecific interactions between charr and salmon and between charr and Dolly Varden, respectively, explaining the distinct longitudinal distribution and feeding habits observed in two- vs. three-species systems. These variant interspecific interactions among the three competing species may have driven the expansion of their sympatric zones.
On the benefits of knowledge compilation for feature-model analyses
Authors: Sundermann Chico , Kuiter Elias , Heß Tobias , Raab Heiko , Krieter Sebastian , Thüm Thomas
Published: November 2023

Feature models are commonly used to specify the valid configurations of product lines. As industrial feature models are typically complex, researchers and practitioners employ various automated analyses to study the configuration spaces. Many of these automated analyses require that numerous complex computations are executed on the same feature model, for example by querying a SAT or SATsolver. With knowledge compilation, feature models can be compiled in a one-time effort to a target language that enables polynomial-time queries for otherwise more complex problems. In this work, we elaborate on the potential of employing knowledge compilation on feature models. First, we gather various feature-model analyses and study their computational complexity with regard to the underlying computational problem and the number of solver queries required for the respective analysis. Second, we collect knowledge-compilation target languages and map feature-model analyses to the languages that make the analysis tractable. Third, we empirically evaluate publicly available knowledge compilers to further inspect the potential benefits of knowledge-compilation target languages.
Patterns of Prunus cerasifera early invasion stages into a temperate primeval forest
Authors: Czortek Patryk , Adamowski Wojciech , Kamionka-Kanclerska Katarzyna , Karpińska Oliwia , Zalewski Andrzej , Dyderski Marcin K.
Published: November 2023

The cherry plum (Prunus cerasifera Ehrh.) is considered an invasive plant species in numerous areas of the temperate climate zones around the world. Although this exotic tree can naturalize in a wide spectrum of forest ecosystems, its invasion mechanisms remain totally unknown. This study is the first approach aiming to investigate potential drivers shaping the ecological success of P. cerasifera invasion, with an example of the temperate primeval forest as a model recipient ecosystem. Using generalized linear models, we suggest that the distance to the propagule source may shape considerably this exotic species occurrence in primeval forest’s understory, expressed by the presumably high role of birds and small mammals in short-, and large ungulates in long-distance seed dispersion. The probability of this invader occurrence decreased with decreasing functional and phylogenetic diversity of understory vegetation. This suggests the importance of habitat filtering generated in small tree-fall gaps in shaping the P. cerasifera success. Thus, interactions between natural disturbances, characteristics of recipient vegetation, as well as traits of various animal dispersers, may be identified as key drivers promoting the occurrence of P. cerasifera in the primeval forest ecosystem. However, further studies on the patterns of P. cerasifera invasion are needed to identify drivers promoting invasion, as well as the effects of this exotic plant on biodiversity and the functioning of ecosystems.
Simulated Data in Empirical Science
Authors: Lehtinen Aki , Raerinne Jani
Published: November 2023

This paper provides the first systematic epistemological account of simulated data in empirical science. We focus on the epistemic issues modelers face when they generate simulated data to solve problems with empirical datasets, research tools, or experiments. We argue that for simulated data to count as epistemically reliable, a simulation model does not have to mimic its target. Instead, some models take empirical data as a target, and simulated data may successfully mimic such a target even if the model does not. We show how to distinguish between simulated and empirical data, and we also offer a definition of simulation that can accommodate Monte Carlo models. We shed light on the epistemology of simulated data by providing a taxonomy of four different mimicking relations that differ concerning the nature of the relation or relata. We illustrate mimicking relations with examples from different sciences. Our main claim is that the epistemic evaluation of simulated data should start with recognizing the diversity of mimicking relations rather than presuming that only one relation existed.