bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis and properties of metal trifluoride complexes with amide-functionalised tacn macrocycles and radiofluorination of [GaF3(L1)] by 18F/19F isotopic exchange
Authors: O'Callaghan Charley , Greenacre Victoria K. , King Rhys P. , Grigg Julian , Herniman Julie M. , McRobbie Graeme , Reid Gillian
Published: August 2024

Three new amide-functionalised triaza-macrocyclic ligands and their complexes, fac-[MF3(L)] (M = Al, Ga, Fe), are described. Radiofluorination of [GaF3(L1)] in MeOH with aqueous [18F]F− gives ca. 20% radiochemical yield of [Ga18FF2(L1)].
Evaluating the potential secondary contribution of photosensitized chemistry to OH production in aqueous aerosols
Authors: Petersen-Sonn Emma A. , Brigante Marcello , Deguillaume Laurent , Jaffrezo Jean-Luc , Perrier Sébastien , George Christian
Published: August 2024

This study explores the potential contribution of secondary production of OH radicals in aerosols and cloud/fog conditions arising from brown carbon (BrC) triplet state chemistry.
A homogeneous plating/stripping mode with fine grains for highly reversible Zn anodes
Authors: Luo Zhen , Xia Yufan , Chen Shuang , Wu Xingxing , Akinlabi Esther , Xu Ben Bin , Pan Hongge , Yan Mi , Jiang Yinzhu
Published: August 2024

Different from mode I with large nuclei and fast redox kinetics, mode II featured by the reduced nuclei and moderate redox kinetics is conducive to refine the grains and achieve homogeneous Zn plating/stripping toward highly reversible Zn anodes.
Insight into aqueous electrolyte additives: unraveling functional principles, electrochemical performance, and beyond
Authors: Chen Zhuo , Feng Junrun , Yao Pengfei , Cai Jinlong , Hao Zhangxiang
Published: August 2024

Aqueous electrolyte additives enhance the cycling stability of zinc-ion battery by inhibiting corrosion, zinc dendrite, and hydrogen evolution. This review examines the mechanisms, challenges, and future advancements toward commercializing AZIBs.
Determination of polysulfide anions and molecular sulfur via coupling HPLC with ICP-MS
Authors: Sadykov Aleksei , Stenzel Yannick P. , Winter Martin , Wiemers-Meyer Simon , Nowak Sascha
Published: August 2024

A facile and straightforward quantification approach was developed for the separation and quantification of polysulfide anions and molecular sulfur.
Ultrasound reforms droplets
Authors: Malik Lokesh , Nandy Subhas , Satpathi Niladri Sekhar , Ghosh Debasish , Laurell Thomas , Sen Ashis Kumar
Published: August 2024

We introduce an acousto-microfluidics-based trapping–coalescence–splitting technique to reform existing polydisperse emulsions into size-controlled drops with improved monodispersity.
Electrochromic properties of MnO2/WO3 bilayered electrodes for enhanced charge storage and superior stability
Authors: Venugopal Ranjana , Dinakaran Anjitha , Nair Meenu C. , Balachandran Arathy C. , Madhavan Nayan Dev , Deb Biswapriya
Published: August 2024

We may independently control the charge–discharge profile and optical output by adjusting the electrochromic layer surface, which is established by using a bilayer of WO3/MnO2, resulting in much improved stability and storage.
Novel biopolymer pectin-based hydrogel electrolytes for sustainable energy storage
Authors: Wilson Nathan W. , Botte Gerardine G.
Published: August 2024

Low-esterified pectin from food waste has been incorporated into novel hydrogel electrolytes that feature excellent ionic conductivity using non-toxic and biodegradable components.
DMD-based optical printing of PHEMA hydrogel gratings for sensitive and rapid alcohol sensing
Authors: Xu Jing , Guo Fanglei , Bartic Carmen , Clays Koen , de Coene Yovan
Published: August 2024

This work presents a straightforward, controllable, cost-effective optical approach for printing HEMA-based alcohol sensors, where the sensors' diffraction efficiency varies in response to hydrogel behavior at different alcohol concentrations.
New ATP-competitive inhibitors of E. coli GyrB obtained from the mapping of the hydrophobic floor at the binding site: synthesis and biological evaluation
Authors: Gutierrez Lucas , Peršolja Peter , Tosso Rodrigo , Zidar Nace , Kikelj Danijel , Enriz Ricardo D.
Published: August 2024

A diagram of the active site of E. coli gyrase B, highlighting the hydrophobic subsite, including key residues relevant to ligand binding.
Crafting porous nanoscaled architecture as a potential frontier for drug delivery
Authors: Girigoswami Koyeli , Pallavi Pragya , Girigoswami Agnishwar
Published: August 2024

Porous nanostructures exhibit remarkable nanoplatforms for payload delivery to diseased cells with high loading capacity, favorable release profiles, improved hemocompatibility, biocompatibility, and safe clearance after biodegradation.
Metal oxide-based photocatalysts for the efficient degradation of organic pollutants for a sustainable environment: a review
Authors: Al Miad Abdullah , Saikat Shassatha Paul , Alam Md. Kawcher , Sahadat Hossain Md. , Bahadur Newaz Mohammed , Ahmed Samina
Published: August 2024

Metal oxide-based photocatalyst can eliminate organic pollutants such as antibiotics, organic dyes, toluene, nitrobenzene, cyclohexane, and refinery oil from the environment.
Highly efficient nano-octahedral Au/γ-Fe2O3 catalyst synthesized by dealloying combined with calcination for low-temperature CO oxidation
Authors: Duan Dong , Hao Chunxi , Jiang Jiangang , Li Ying
Published: August 2024

A novel catalyst, consisting of Au nanoparticles in situ loaded onto nano-octahedral γ-Fe2O3, was synthesized through a dealloying and calcination process, and exhibited excellent activity and stability for CO oxidation.
A nonlinear optical crystal with deep-ultraviolet transparency and appropriate birefringence achieved using π-conjugated confined [B3O3F4(OH)]2−
Authors: Ouyang Tao , Chen Xu , Chen Shanshan , Li Yanqiang , Shang Xiaoying , Bai Zhiyong , Jiang Ningtao , Yan Zhishuo , Luo Junhua , Zhao Sangen
Published: August 2024

Based on a π-conjugated confinement strategy, we designed and synthesized a deep-UV NLO crystal, K2B3O3F4(OH), exhibiting a moderate birefringence (0.054@550 nm) and deep-UV transparency (<200 nm).
Theoretical studies on the regioselectivity of polar vinyl monomer insertion catalyzed by an α-diimine Pd(ii) complex
Authors: Ren Kaipai , Wen Xin , Jiang Yanfeng , Kang Xiaohui , Luo Yi
Published: August 2024

This study uses DFT to investigate the regioselectivity of PVM insertion with the DBB–Ipty α-diimine Pd(ii) complex. It combines DFT with MLR analysis to identify key factors influencing regioselectivity in the reaction.
Synthesis and evaluation of isothiazolo[4,5-b]pyridines as cyclin G-associated kinase (GAK) inhibitors
Authors: Ivanova Yulia , Spittaels Sander , Gao Ling-Jie , Schols Dominique , Van Meervelt Luc , Froeyen Mathy , Dehaen Wim , De Jonghe Steven
Published: August 2024

A novel route to various substituted isothiazolo[4,5-b]pyridines was established. The compounds completely lacked GAK affinity, which was explained by in silico analysis.
Recent progress in chemoenzymatic synthesis of human glycans
Authors: Ma Shengzhou , Gao Jinhua , Tian Yinping , Wen Liuqing
Published: August 2024

This work reviewed the recent progress in the chemoenzymatic synthesis of human glycans and provides insights into the limitations and perspectives of the current methods.
Advances in crosslinking chemistry and proximity-enabled strategies: deciphering protein complexes and interactions
Authors: Cheng Jiongjia , Wang Haiying , Zhang Yuchi , Wang Xiaofeng , Liu Guangxiang
Published: August 2024

Proximity-enabled crosslinking techniques facilitate the formation of covalent bonds within and between proteins, contributing to the elucidation of protein dynamics and function.
Supramolecular materials constructed from synthetic glycopeptides via aqueous self-assembly and their bioapplications in immunotherapy
Authors: Sugiura Shintaro , Ikeda Masato
Published: August 2024

This review highlights recent advances in the molecular design of synthetic glycopeptide-based supramolecular materials and their use as immunomodulatory agents.
Mechanism and origin of enantioselectivity for organocatalyzed asymmetric heteroannulation of alkynes in the construction of axially chiral C2-arylquinoline
Authors: Gao Ge , Liang Peng-Yu , Jin Nengzhi , Zhao Zi-Bo , Tian Xiao-Cheng , Xie Dong , Tu Chi-Zhou , Zhang Hai-Rong , Zhou Pan-Pan , Yang Zhaoyong
Published: August 2024

The mechanisms and origin of enantioselectivity for the organocatalytic construction of axially chiral C2-arylquinoline catalyzed by chiral phosphoric acid were theoretically investigated and elaborated.
Critical considerations of mRNA–LNP technology for CAR-T therapy: components, payloads and emerging horizons
Authors: Qu YunFeng , Liu Renfa , Sun Desheng , Dai Zhifei
Published: August 2024

The application and optimization of circRNA-LNP.
Fabrication of oxygen-releasing dextran microgels by droplet-based microfluidic method
Authors: Tomioka Daisuke , Jung Shannon Anna , Pich Andrij , Matsusaki Michiya
Published: August 2024

Dextran-based microgels with controllable oxygen releasing property were fabricated using droplet-based microfluidic system.
Enhancing organic solar cell lifetime through humidity control using BCF in PM6 : Y6 active layers
Authors: Pacheco Kaike , Araújo Souza João Paulo , Koehler Marlus , Jayaraman Eswaran , Martos Daniel Garcia , Turkovic Vida , Madsen Morten , Romana Lucimara Stolz
Published: August 2024

Boosting organic solar cell lifetime with BCF doping for improved stability.
Flow of wormlike micellar solutions over concavities
Authors: Hillebrand Fabian , Varchanis Stylianos , Hopkins Cameron C. , Haward Simon J. , Shen Amy Q.
Published: August 2024

The flow of a wormlike micellar solution over a concavity transitions from a cavity flow to an expansion–contraction flow as the aspect ratio of the concavity (D/L) is decreased.
Mapping the influence of impurity interaction energy on nucleation in a lattice-gas model of solute precipitation
Authors: Mandal Dipanjan , Quigley David
Published: August 2024

We study the role of impurities in a 2D lattice model of solute precipitation over a range of impurity-solute and impurity-solvent interaction energies. We find regimes in which the impurities influence nucleation via multiple distinct mechanisms.
Unveiling π–π interactions in triptycene-phenazine/SWCNT redox chemistry using ESR spectroscopy
Authors: Chen Qi , Suizu Rie , Shuku Yoshiaki , Omachi Haruka , Matsushita Michio M. , Fukuura Shuta , Yumura Takashi , Bandow Shunji , Awaga Kunio
Published: August 2024

Trip-Phz/SWCNTs composites deliver a three-electron reaction, accompanied by a pseudo-capacitive charge storage mechanism. ESR spectroscopy confirms the strong π–π interactions between radical cations and SWCNTs, leading to a radical-free state.
Facile preparation of UiO-66-NH2-stabilized high internal phase molecularly imprinted polymers for synergistic catalytic hydrolysis detoxification of organophosphate nerve agents
Authors: Niu Yalin , Jiang Peng , Guo Tianying
Published: August 2024

Developed a UiO-66-NH2 stabilizing pickering high internal phase OP imprinting polymer multi-porous composite catalysis system, which integrates MIPs and MOFs successfully, the two materials with remarkable catalytic hydrolysis activity for OPs.
Ozonolysis of regular and crosslinked lignin nanoparticles: closing the loop
Authors: Alexakis Alexandros E. , Sipponen Mika H.
Published: August 2024

The oxidative degradation of regular and crosslinked lignin nanoparticles was studied. Despite different solvent stabilities, both degrade at similar rates during ozonolysis, forming smaller oxidized particles and eventually water-soluble molecules.
Dioxins in the Arctic: local sources vs. long-range transport
Authors: Gou Ling , Song Shijie , Huang Tao , Ling Zaili , Chen Kaijie , Xin Jiayi , Geng Enze , Wang Jiaxin , Zhao Yuan , Gao Hong , Ma Jianmin
Published: August 2024

This study revealed that dioxins released from wildfires in the Arctic have exceeded anthropogenic emissions from local and distant sources in the northern hemisphere since the late 2010s.
Light at the end of the tunnel: integrating signaling pathways in the coordination of lateral root development
Authors: Singh Rawat Sanjay , Laxmi Ashverya
Published: August 2024

Root system architecture (RSA) encompasses a range of physical root attributes, including the lateral roots (LRs), root hairs and adventitious roots, in addition to the primary or main root. This overall structure is a crucial trait for efficient water and mineral capture alongside providing anchorage to the plant in the soil and is vital for plant productivity and fitness. RSA dynamics are dependent upon various environmental cues such as light, soil pH, water, mineral nutrition and the belowground microbiome. Among these factors, light signaling through HY5 significantly influences the flexibility of RSA by controlling different signaling pathways that converge at photoreceptors-mediated signaling, also present in the ‘hidden half’. Furthermore, several phytohormones also drive the formation and emergence of LRs and are critical to harmonize intra and extracellular stimuli in this regard. This review endeavors to elucidate the impact of these interactions on RSA, with particular emphasis on LR development and to enhance our understanding of the fundamental mechanisms governing the light-regulation of LR growth and physiology.
Stress grading system optimisation for an inverter‐fed rotating machine
Authors: Wang Peng , Zhao Wenhuan , Zhang Yue , Yang Shuai , Cavallini Andrea , Yu Chaofan , Cheng Chizhou , Zhu Yingwei
Published: August 2024

Stress grading systems using non‐linear resistive coatings are a key component to suppress surface corona in the end‐windings of rotating machine. Compared to a sinusoidal‐fed motor, the high slew rate of the voltage at the flanks of the repetitive square voltages from the inverter cause large capacitive currents to flow in the main wall insulation. These large currents, if not properly considered in the design phase, lead to severe electrothermal stress of the grading system. Experiments and simulations were conducted on a stress grading system whose structure arises from limitation posed by the motor structure. Measurements performed with different rise times show that the maximum potential along the conductive armour tape (CAT) increases non‐linearly with increasing axial distance, and the potential at the edge of the CAT reached nearly twice the peak‐to‐peak voltage at 500 ns rise time, leading to corona inception. As metal plates are used in the machine to dampen vibrations in the end‐winding, similar plates were also fastened to the stress grading system, worsening the already inadequate corona suppression performance. The stress grading system was therefore modified, avoiding the surface corona while, at the same time, reducing the temperature in the grading system to acceptable levels.
The Three Hundred project: Radio luminosity evolution from merger-induced shock fronts in simulated galaxy clusters
Authors: Nuza S. E. , Hoeft M. , Contreras-Santos A. , Knebe A. , Yepes G.
Published: August 2024

Context. Galaxy cluster mergers are believed to generate large-scale shock waves that are ideal sites for cosmic ray production. In these so-called radio relic shocks, synchrotron radiation is produced mainly as a result of electron acceleration in the presence of intracluster magnetic fields.

Aims. We aim to compute radio emission light curves for a sample of galaxy group and cluster mergers simulated in a cosmological context in order to study the dependence of radio luminosity on cluster mass, redshift, and impact parameter.

Methods. We used model galaxy clusters from THE THREE HUNDRED project, a sample of 324 simulated high-density regions of radius 15 h−1 Mpc extracted from a cosmological volume, to identify cluster mergers characterised by the two main merging structures, construct their light curves, and follow their evolution throughout the complete simulated cosmic history.

Results. We found that the median non-thermal radio relic luminosity light curve produced in galaxy cluster mergers can be described by a skewed Gaussian function abruptly rising after core-passage of the secondary cluster that peaks after ~0.1–0.8 Gyr as a function of M200,1, the mass of the primary, displaying a mass-dependent luminosity output increase of ≲10 to about ≳10–50 times relative to the radio emission measured at core-passage for galaxy groups and clusters, respectively. In general, most merger orbits are fairly radial with a median opening angle of ~20º before the collision. We also found that, independent of the cluster mass, less radial mergers tend to last longer, although the trend is weak. Finally, in agreement with previous works, we found that the peak radio luminosity shows a significant correlation with mass, P1.4 ∝ M200,12.05 demonstrating that this relation holds all the way up from galaxy group scales to the most massive galaxy clusters.

Conclusions. We conclude that cluster mass is the primary driver for radio ‘gischt’ median luminosity, although there are significant variations for a given cluster mass related to the specifics of each merging process. In general, binary mergers are responsible for many of the well-known observed radio relic structures but complex situations involving three or more substructures are also common. Our simulations suggest that the shock-driven, non-thermal radio emission observed on cluster outskirts are the result of massive galaxy cluster mergers at ɀ ≲ 1, peaking at ɀ ~ 0–0.5.
Retrieving stellar parameters and dynamics of AGB stars with Gaia parallax measurements and CO5BOLD RHD simulations
Authors: Béguin E. , Chiavassa A. , Ahmad A. , Freytag B. , Uttenthaler S.
Published: August 2024

Context. The complex dynamics of asymptotic giant branch (AGB) stars and the resulting stellar winds have a significant impact on the measurements of stellar parameters and amplify their uncertainties. Three-dimensional (3D) radiative hydrodynamic (RHD) simulations of convection suggest that convection-related structures at the surface of AGB star affect the photocentre displacement and the parallax uncertainty measured by Gaia.

Aims. We explore the impact of the convection on the photocentre variability and aim to establish analytical laws between the photo-centre displacement and stellar parameters to retrieve such parameters from the parallax uncertainty.

Methods. We used a selection of 31 RHD simulations with CO5BOLD and the post-processing radiative transfer code OPTIM3D to compute intensity maps in the Gaia G band [320–1050 nm]. From these maps, we calculated the photocentre position and temporal fluctuations. We then compared the synthetic standard deviation to the parallax uncertainty of a sample of 53 Mira stars observed with Gaia.

Results. The simulations show a displacement of the photocentre across the surface ranging from 4 to 13% of the corresponding stellar radius, in agreement with previous studies. We provide an analytical law relating the pulsation period of the simulations and the photocentre displacement as well as the pulsation period and stellar parameters. By combining these laws, we retrieve the surface gravity, the effective temperature, and the radius for the stars in our sample.

Conclusions. Our analysis highlights an original procedure to retrieve stellar parameters by using both state-of-the-art 3D numerical simulations of AGB stellar convection and parallax observations of AGB stars. This will help us refine our understanding of these giants.
Rugged magneto-hydrodynamic invariants in weakly collisional plasma turbulence: Two-dimensional hybrid simulation results
Authors: Hellinger Petr , Montagud-Camps Victor
Published: August 2024

Aims. We investigated plasma turbulence in the context of solar wind. We concentrated on properties of ideal second-order magneto-hydrodynamic (MHD) and Hall MHD invariants.

Methods. We studied the results of a two-dimensional hybrid simulation of decaying plasma turbulence with an initial large cross helicity and a negligible magnetic helicity. We investigated the evolution of the combined energy and the cross, kinetic, mixed, and magnetic helicities. For the combined (kinetic plus magnetic) energy and the cross, kinetic, and mixed helicities, we analysed the corresponding Kármán-Howarth-Monin (KHM) equation in the hybrid (kinetic proton and fluid electron) approximation.

Results. The KHM analysis shows that the combined energy decays at large scales. At intermediate scales, this energy cascades (from large to small scales) via the MHD non-linearity and this cascade partly continues via Hall coupling to sub-ion scales. The cascading combined energy is transferred (dissipated) to the internal energy at small scales via the resistive dissipation and the pressure-strain effect. The Hall term couples the cross helicity with the kinetic one, suggesting that the coupled invariant, referred to here as the mixed helicity, is a relevant turbulence quantity. However, when analysed using the KHM equations, the kinetic and mixed helicities exhibit very dissimilar behaviours to that of the combined energy. On the other hand, the cross helicity, in analogy to the energy, decays at large scales, cascades from large to small scales via the MHD+Hall non-linearity, and is dissipated at small scales via the resistive dissipation and the cross-helicity equivalent of the pressure-strain effect. In contrast to the combined energy, the Hall term is important for the cross helicity over a wide range of scales (even well above ion scales). In contrast, the magnetic helicity is scantily generated through the resistive term and does not exhibit any cascade.
The impact of UV spectra on searches for extremely metal-poor stars: A study for future CSST observations
Authors: Zhang Mengmeng , Bu Yude , Wu Fan , Shi Jianrong , Zhang Jiangchuan , Wu Huili , Li Shanshan , Yi Zhenping , Liu Meng , Kong Xiaoming
Published: August 2024

Extremely metal-poor (EMPs, [Fe/H] < −3.0) and carbon-enhanced EMP (CE-EMP, [Fe/H] < −3.0 and [C/Fe]>  + 1.0) stars are crucial for understanding the chemical evolution and early formation of the galaxies. Current research on EMP stars is limited by small samples, and ultraviolet (UV) band spectra are lacking. The China Space Station Telescope (CSST) will provide high-quality, low-resolution spectra across wavelengths from near-ultraviolet to near-infrared, with a limiting magnitude of about 21 mag. These will help in identifying EMPs and CE-EMP candidates in the distant Milky Way and nearby galaxies. The present study first uses the simulated CSST spectra to quantitatively evaluate the contribution of UV band spectra in predicting [Fe/H], [α/Fe], and [C/Fe]. The results indicate that UV band spectra reduce the mean absolute error by 0.04, 0.04, and 0.03, respectively, with a σ of 0.02, 0.03, and 0.04, respectively. Further spectral analysis reveals that the EMP stars show unique spectral-line features in the UV band, with significant differences compared to stars of higher metallicity, which could help in identifying EMP stars. Additionally, we tested the impact of UV band spectra on identifying EMP and CE-EMP stars at different noise levels and find that models including UV band spectra improve the identification of EMP and CE-EMP stars in terms of accuracy, recall, and F1 score. At low signal-to-noise ratio (S/N), the model including the UV band achieves a recall of 0.94, significantly higher than the model without the UV band (Recall = 0.48), doubling the capability to identify EMP stars. As the S/N increases, the inclusion of the UV band maintains high recall. This suggests that UV spectra in future large surveys could reduce the risk of missing potentially interesting stellar candidates, ensuring a more comprehensive identification of all possible EMP and CE-EMP star candidates.
Discovery of ~2200 new supernova remnants in 19 nearby star-forming galaxies with MUSE spectroscopy
Authors: Li Jing , Kreckel K. , Sarbadhicary S. , Egorov Oleg V. , Groves B. , Long K. S. , Congiu Enrico , Belfiore Francesco , Glover Simon C. O. , Barnes Ashley T. , Bigiel Frank , Blanc Guillermo A. , Grasha Kathryn , Klessen Ralf S. , Leroy Adam , Lopez Laura A. , Méndez-Delgado J. Eduardo , Neumann Justus , Schinnerer Eva , Williams Thomas G.
Published: August 2024

Supernova feedback injects energy and turbulence into the interstellar medium (ISM) in galaxies, influences the process of star formation, and is essential to understanding the formation and evolution of galaxies. In this paper we present the largest extragalactic survey of supernova remnant (SNR) candidates in nearby star-forming galaxies using exquisite spectroscopic maps from MUSE. Supernova remnants (SNRs) exhibit distinctive emission-line ratios and kinematic signatures, which are apparent in optical spectroscopy. Using optical integral field spectra from the PHANGS–MUSE project, we identified SNRs in 19 nearby galaxies at ~100 pc scales. We used five different optical diagnostics: (1) line ratio maps of [S II]/Hα (2) line ratio maps of [O I]/Hα (3) velocity dispersion map of the gas; and (4) and (5) two line ratio diagnostic diagrams from Baldwin, Phillips & Terlevich (BPT) diagrams to identify and distinguish SNRs from other nebulae. Given that our SNRs are seen in projection against H II regions and diffuse ionized gas, in our line ratio maps we used a novel technique to search for objects with [S II]/Hα or [O I]/Hα in excess of what is expected at fixed Hα surface brightness within photoionized gas. In total, we identified 2233 objects using at least one of our diagnostics, and defined a subsample of 1166 high-confidence SNRs that were detected with at least two diagnostics. The line ratios of these SNRs agree well with the MAPPINGS shock models, and we validate our technique using the well-studied nearby galaxy M83, where all the SNRs we found are also identified in literature catalogs, and we recovered 51% of the known SNRs. The remaining 1067 objects in our sample were detected with only one diagnostic, and we classified them as SNR candidates. We find that ~35% of all our objects overlap with the boundaries of H II regions from literature catalogs, highlighting the importance of using indicators beyond line intensity morphology to select SNRs. We find that the [O I]/Hα line ratio is responsible for selecting the most objects (1368; 61%); however, only half are classified as SNRs, demonstrating how the use of multiple diagnostics is key to increasing our sample size and improving our confidence in our SNR classifications.
Cosmological simulations of the generation of cluster-scale radio emission from turbulent re-acceleration
Authors: Beduzzi L. , Vazza F. , Cuciti V. , Brunetti G. , Brüggen M. , Wittor D.
Published: August 2024

Context. The recent discovery of so-called mega radio halos as a new class of diffuse, steep-spectrum radio sources in clusters of galaxies has raised questions about the origin and the evolution of cluster-wide radio emission.

Aims. We investigate whether the formation mechanisms of radio halos and mega radio halos differ, or whether they can be produced by different modalities of the same (re-)acceleration mechanism. Here we present results of a cosmological simulation of a disturbed galaxy cluster, with the aim to study the origin of mega radio halos.

Methods. We analysed the evolution of cosmic-ray electrons (CRe), subject to gains and losses using a Fokker-Planck solver. In particular, we included the effects of adiabatic stochastic acceleration (ASA) which is caused by the stochastic interaction of cosmic rays with diffusing magnetic field lines in super-Alfvenic turbulence. Moreover, we included shock acceleration and the seeding of CRe by galaxies.

Results. Our simulations generate cluster-scale radio sources during mergers, with properties that are in agreement with those observed for real radio halos. Furthermore, we find evidence of additional emission on larger scales. This emission resembles the radial distribution and the spectrum of a mega radio halo, but only when viewed close to the merger axis.

Conclusions. In our simulation, the mechanism responsible for the formation of diffuse radio emission, both in the form of classical and mega radio halos, is cosmic-ray re-acceleration by turbulence. This turbulence is more solenoidal and more subsonic in the classical radio halo region, than in the mega radio halo region.
Impediments to the cosmic growth of galaxies: The outflow budget from Star Formation and Active Galactic Nuclei
Authors: Buchner Johannes
Published: August 2024

The gas reservoir of galaxies can be altered by outflows that are driven by star formation and luminous active galactic nuclei. Jets heating the surroundings of host galaxies can also prevent the gas from cooling and prevent inflows. Spectacular examples for these three mass-displacement channels have been observed, but their importance in transforming the galaxy population depends on the occurrence rates of the outflow triggers. We investigate the absolute and relative importance of these three channels. In an observation-driven approach, we combined distribution functions and scaling relations to empirically compare average outflow rates across the total stellar mass spectrum of the galaxy and across cosmic time. This hinges on local outflow studies, which should be extended to systematic, large, and diverse samples, and we did not consider a halo-heating effect by radiation-driven outflows so far. Independent of simulations, our results show the dominance of star formation-driven outflows in low-mass galaxies. Massive galaxies today are predominately prevented from growing further by jet heating, while at z = 1 − 3, all three processes are approximately similarly important. Over the full mass spectrum and cosmic history, outflows driven by the radiation from active galactic nuclei are never the dominant process.
Compact groups of galaxies in GAMA
Authors: Zandivarez A. , Díaz-Giménez E. , Taverna A. , Rodriguez F. , Merchán M.
Published: August 2024

Context. Several compact group catalogues have been constructed over the years using different methods, but most of them are not deep enough to go beyond the very local Universe with a high level of redshift completeness.

Aims. We build a statistically reliable sample of compact groups to study the influence of its inner extreme environment at intermediate redshifts.

Methods. We adopted the Galaxy And Mass Assembly (GAMA) redshift survey as a parent galaxy catalogue, complemented with a small sample of galaxies from the Sloan Digital Sky Survey, to identify compact groups using Hickson-like criteria. We explored the parameter space to perform several identifications, with which we built samples with different characteristics. Particularly, we reduced the maximum galaxy separation in the line of sight to 500 km s−1, and we implemented different magnitude ranges to define membership: a difference between three, two, or one magnitudes between the brightest galaxy and the other members, and no restriction at all. For comparison, we used control samples extracted from a catalogue of loose groups to compare their properties with those of the compact groups.

Results. We built five considerably large compact group samples, ranging from more than 400 up to roughly 2400 systems, and maximum redshifts from 0.2 to 0.4, depending on the selected parameters. The overall properties of each sample agree with previous findings. Moreover, compact groups have a tendency for a larger fraction of quenched galaxies than control loose groups, mainly for galaxies with a low stellar mass in compact groups with short crossing times. In addition, ∼45% of the compact groups are embedded in loose galaxy systems and are highly compact, have the shortest crossing times, and the brightest first-ranked galaxies than compact groups that are considered to be non-embedded or isolated. The compact group properties almost do not evolve at all with redshift.

Conclusions. Our results confirm previous findings that postulated that compact groups are one of the suitable places in which the suppression of the star formation rate in galaxies that is primarily due to galaxy interactions can be studied. These new Hickson-like compact group samples will be valuable to deepen the analysis of these peculiar galaxy systems in a redshift regime that was poorly explored so far.
Ultraviolet spectroscopy of the supernova Ia hypervelocity runaway white dwarf J0927−6335
Authors: Werner Klaus , El-Badry Kareem , Gänsicke Boris T. , Shen Ken J.
Published: August 2024

The hot white dwarf (WD) J0927−6335 (Gaia DR3 5250394728194220800 with an effective temperature of Teff = 60 000 K and a surface gravity of logg = 7) was detected as the fastest known Galactic hypervelocity star with a space velocity of ≈2800 km s−1 and an atmosphere dominated by carbon and oxygen. It is thought to be the surviving WD donor predicted by the so-called dynamically driven double-degenerate double-detonation (D6) type Ia supernova formation model. We analysed an ultraviolet spectrum of J0927−6335 that was recently obtained with the Hubble Space Telescope and found very high abundances of iron and nickel. This might originate in the pollution of the remnant by the supernova Ia explosion, but it is uncertain to which extent atomic diffusion altered the chemical composition of the accreted material.
MHD Mixed Convection Flow and Heat Transfer due to an Inclined Stretching/Shrinking Sheet
Authors: Alabdulhadi Sumayyah , Ishak Anuar , Waini Iskandar
Published: August 2024

This study focuses on the numerical analysis of magnetohydrodynamic (MHD) mixed convection flow of a viscous fluid over an inclined stretching sheet. The sheet’s temperature and stretching velocity are assumed to follow a power law distribution. To simplify the governing partial differential equations (PDEs), we apply similarity transformations, which transform them into ordinary differential equations (ODEs). We employ the bvp4c solver in Matlab for numerical computations. Specifically, when the buoyancy force is present and the parameternis related tomasn= 2m− 1, we obtain similarity solutions. For a particular variant of the shrinking strength, non-unique solutions are found. It is evident from the temporal stability analysis that only one of them remains stable throughout time. The study investigates the effects of various parameters, such as velocity and temperature exponents, magnetic field strength, inclination angle, and buoyancy, on the flow and heat transfer properties, which are illustrated through graphical representations. Notable findings include that the local Nusselt numbers and skin friction coefficients decrease when the inclination angle of the stretching sheet increases, while they increase when the inclination angle of the shrinking sheet increases.
Intrapericardial Teratoma and Associated 3q29 Deletion in a Fetus:
Case Report
Authors: Guralp Onur , Schoner Katharina , Wolter Aline , Schenk Johanna , Reitz Maleen , Widriani Ellydda , Froebius Katrin , Weber Axel , Axt-Fliedner Roland
Published: August 2024

Depending on its location, size, and proximity to the cardiac structures, an
intrapericardial teratoma may lead to severe circulatory disturbances and even
fetal demise. A 34-year-old G2P1 presented at 20w5d with a solid cystic mass in
the right thorax of the fetus, originating from the right atrium or lung, with
signs of non-immune fetal hydrops, soon resulting in intrauterine fetal death.
Detailed post-mortem autopsy revealed signs of hydrops fetalis universalis due
to a spherical tumor mass originating from the aortic root. Histologic
examination of the tumor showed the characteristic morphology of a teratoma. A
1.6-Mb microdeletion at 3q29 was identified by single nucleotide polymorphism
array. This is the first report presenting the diagnosis of an intrapericardial
teratoma in a fetus with a microdeletion of 3q29. Intrapericardial teratoma has
a poor prognosis and the fetal outcome relies on the development of hydrops. A
post-mortem examination is essential in order to make a definitive diagnosis,
which underlines the status of the fetal pathologist and the need for
interdisciplinary cooperation.
Fetal premature excess vertebral linear calcification: a case series
Authors: Bronshtein Moshe , Gover Ayala , Beloosesky Ron , Bachar Gal , Khatib Nizar
Published: August 2024

During embryogenesis, the vertebrae begin development during the 6th week of gestation via two lateral chondrification centers per segment. It was assumed that when disruptions occur in the process of somitogenesis during membranous vertebral body formation, chondrification and ossification will follow the anomalous membranous vertebral body scaffolding, resulting in an anomalous vertebral formation, such as a hemivertebra. Another hypothesis is that hemivertebra may result from anomalous distribution of intersegmental arteries of the vertebral column. There is no description in the medical literature of “excess linear calcifications” of part of the fetal vertebra, characterized by the presence of linear calcifications in the vertebrae of a developing fetus. In the first two trimesters of pregnancy, the fetal vertebrae usually show three calcified points in an axial section: the vertebral body and two transverse processes. Premature linear vertebral calcification was defined as an anterior or posterior echogenic connection between two of the points (Fig. 1). In this study, we describe seven cases of premature fetal linear vertebral calcification.
Physiotherapeutische Kapazität im stationären Bereich deutscher
Universitätskliniken. Ein Benchmark auf Basis der Qualitätsberichte der
Krankenhäuser 2022
Authors: Egen Christoph , Sturm Christian , Schiller Jörg , Gartmann Judith , Bökel Andrea
Published: August 2024

Hintergrund Physiotherapie in Akutkrankenhäusern hat eine hohe Relevanz
sowohl für den Genesungsprozess von Patient*innen, als auch für eine Reduzierung
von Liegenzeiten. Trotzdem spiegelt sich diese Relevanz im derzeitigen System
der Diagnosis Related Groups (DRG) nicht adäquat wieder. In Universitätskliniken
stellt sich in Controlling-Gesprächen immer wieder die Frage nach einem
angemessenen Stellenschlüssel für physiotherapeutisches Personal. Eine
objektivierbare Analyse dieser Fragestellung sollte ein inhaltlich
ausdifferenziertes Benchmark bieten, das Fallschweren, Patientenzahlen und
Fachabteilungen mit in die Bewertung aufnimmt. Leider sind diese Daten nur sehr
schwer zugänglich, so dass es zwar erste Versuche über den Verband der
Universitätsklinika Deutschlands (VUD) gab, aber bislang keine Ergebnisse
deklamiert werden konnten.

Material und Methoden Die öffentlich zugänglichen Qualitätsberichte der
Krankenhäuser enthalten unter anderem Angaben zum stationären
physiotherapeutischen Personal sowie zur Bettenzahl. Um die physiotherapeutische
Kapazität innerhalb der verschiedenen Universitätskliniken miteinander
vergleichen zu können, wurde die durchschnittliche Zahl der Vollzeitkräfte (VK)
des Jahres 2022 mit Hilfe der entsprechenden Bettenanzahl auf 100 Betten
normiert. Die Darstellung der durchschnittlichen Personalkapazität erfolgt rein
deskriptiv durch Angabe des Mittelwerts, des Median und der Standardabweichung.

Ergebnisse Im Mittelwert haben die 35 analysierten Universitätskliniken
3,10 VK pro 100 Betten im physiotherapeutischen Einsatz. Der Median liegt bei
3,03 VK und die Standardabweichung bei 0,98.

Schlussfolgerung Das hier vollzogene Benchmark anhand der öffentlich
einsehbaren Qualitätsberichte kann eine erste objektivierbare Orientierung über
die unterschiedlichen physiotherapeutischen Personalkapazitäten geben.
Perspektivisch könnte ein detaillierteres Benchmark, das auch Case-Mix-Punkte,
Fachgebiete und Fallzahlen mit in der Auswertung berücksichtigt die
Ergebnisqualität der Erhebungsdaten deutlich verbessern.
A Regioselective Domino Benzannulation Route to Indeno[1,2-a]fluorene-7,12-diones
Authors: Naik Vijaykumar , Khan Faiz Ahmed
Published: August 2024

A base-promoted domino benzannulation reaction of 2,3-dibromoindenone with acyclic 1,3-dicarbonyls resulted in an efficient synthetic protocol for a series of novel polycyclic indeno[1,2-a]fluorenes. The reaction proceeds via the two sequential addition-elimination reactions of nucleophilic species generated from the 1,3-dicarbonyls under basic conditions, serendipitously leading to the benzannulation with two molecules of 2,3-dibromoindenone. The second addition-elimination occurs on the initially formed adduct of 1,3-dicarbonyl with 2,3-dibromoindenone, setting the stage for further intramolecular cyclization and aromatization. Interestingly, unsymmetrical 1,3-dicarbonyls furnished a single regioisomer. The origin of the regioselectivity and plausible mechanism is discussed.
Skeletal Editing through Single-Atom Insertion and Transmutation: An Insight into a New Era of Synthetic Organic Chemistry
Authors: Malakar Chandi C. , Patel Chandresh K. , Kant Kamal , Banerjee Sourav , Kalita Sangita , Atta Ananta K.
Published: August 2024

Considering the importance of heterocycles, significantly represented in medicinal chemistry and drug development, the single-atom insertion technique and transmutation strategy provide productive approaches towards complicated molecular structures through heterocycle diversification. It shows a potentially powerful approach for modifying complex substrates concisely and chemospecifically. Although skeletal editing applies to cyclic and acyclic compounds, this review focuses on the diversification of carbo- and heterocyclic compounds for synthesizing various medicinally important molecules via the single-atom insertion technique. The classification system is based on recent and critical historical methods of single-atom insertion as applied to the transmutation of aromatic rings.

1 Introduction

2 Skeletal Editing through Carbon-Atom Insertion

2.1 Skeletal Editing of Indoles and Pyrroles Derivatives: Carbon-Atom Insertion into a C=C Bond

2.2 Skeletal Editing of Pyrazole and Indazole Derivatives: Carbon-Atom Insertion into an N–N Bond

2.3 Skeletal Editing of Pyrazole and Indazole Derivatives: Insertion of CF3 Group into Heteroarenes

2.4 Skeletal Editing of Imidazole Derivatives: Carbon-Atom Insertion into C–N Bond

2.5 Skeletal Editing through Atom-to-Atom Transmutation

3 Skeletal Editing through N-Atom Insertion

3.1 Nitrogen-Atom Insertion into Carbocycles

3.2 Nitrogen-Atom Insertion into Heterocycles

3.3 Carbon to Nitrogen Transmutation

3.3 Molecular Editing through Isotopic Transmutation

4 Conclusion
Coverage of Physical Therapy Assessments in the Observational Medical Outcomes Partnership Common Data Model
Authors: French Margaret A. , Hartman Paul , Hayes Heather A. , Ling Leah , Magel John , Thackeray Anne
Published: August 2024

Background High-value care aims to enhance meaningful patient outcomes while reducing costs and is accelerated by curating data across health care systems through common data models (CDMs), such as Observational Medical Outcomes Partnership (OMOP). Meaningful patient outcomes, such as physical function, must be included in these CDMs. However, the extent to which physical therapy assessments are covered in the OMOP CDM is unclear.

Objective This study aimed to examine the extent to which physical therapy assessments used in neurologic and orthopaedic conditions are in the OMOP CDM.

Methods After identifying assessments, two reviewer teams independently mapped the neurologic and orthopaedic assessments into the OMOP CDM. Agreement within the reviewer team was assessed by the number of assessments mapped by both reviewers, one reviewer but not the other, or neither reviewer. The reviewer teams then reconciled disagreements, after which agreement and the average number of concept ID numbers per assessment were assessed.

Results Of the 81 neurologic assessments, 48.1% (39/81) were initially mapped by both reviewers, 9.9% (8/81) were mapped by one reviewer but not the other, and 42% (34/81) were unmapped. After reconciliation, 46.9% (38/81) were mapped by both reviewers and 53.1% (43/81) were unmapped. Of the 79 orthopaedic assessments, 46.8% (37/79) were initially mapped by both reviewers, 12.7% (10/79) were mapped by one reviewer but not the other, and 48.1% (38/79) were unmapped. After reconciliation, 48.1% (38/79) were mapped by both reviewers and 51.9% (41/79) were unmapped. Most assessments that were mapped had more than one concept ID number (2.2 ± 1.3 and 4.3 ± 4.4 concept IDs per neurologic and orthopaedic assessment, respectively).

Conclusion The OMOP CDM includes some physical therapy assessments recommended for use in neurologic and orthopaedic conditions but many have multiple concept IDs. Including more functional assessments in the OMOP CDM and creating guidelines for mapping would improve our ability to include functional data in large datasets.
Chiral-Bisphosphine-Catalyzed Asymmetric Staudinger/Aza-Wittig Reaction: Development, Mechanism Study, and Synthetic Application
Authors: Tang Yefeng , Yang Hongzhi , Nguyen Truc Quynh
Published: August 2024

The enantioselective desymmetrization of 2,2-disubstituted cyclohexane-1,3-diones has been realized through an unprecedented chiral-bisphosphine-catalyzed asymmetric Staudinger/aza-Wittig reaction. The key to this work’s success lies in utilizing an electronically rich and sterically hindered chiral bisphosphine reagent, namely DuanPhos, as a catalyst. In addition, a unique reductive system was established to address the requisite PIII/PV = O redox cycle. The mechanism of the chiral-bisphosphine-catalyzed asymmetric Staudinger/aza-Wittig reaction has been elucidated through combined computational and experimental studies. Several crinine-type amaryllidaceae alkaloids have been synthesized concisely, hinging on the newly developed methodology.
Accuracy improvement of laser tracker registration based on enhanced reference system points weighting self-calibration and thermal compensation
Authors: Ma Shoudong , Lu Yong , Deng Kenan , Wu Zhihang , Xu Xu
Published: August 2024

Improving the accuracy of large measurement systems consisting of multiple laser trackers and Enhanced Reference System (ERS) points is technically challenging. In practice, standard devices with precise distance limits are often used to improve the registration accuracy of laser trackers. However, these standard devices are expensive and need to be calibrated by the Coordinate Measuring Machine (CMM). In addition, the stability of ERS points can significantly affect registration errors. Therefore, this paper proposes a laser tracker registration method based on ERS point-weighted self-calibration and thermal deformation compensation. First, a self-calibration method for simple standard devices based on multilateration measurements is presented, which only utilizes large measurement systems without additional high-precision measurement instruments. Based on this, a weighted registration optimization algorithm for the registration process of a relocation laser tracker is proposed. Then, the position errors of ERS points caused by temperature changes are calculated and compensated based on the thermal deformation coefficient of large structural components. The compensated ERS points are used for the registration of the laser trackers. Finally, the effectiveness of the proposed method is demonstrated by a field measurement experiment on a large spherical shell. Compared with the most widely used benchmark method, the proposed method reduces the average registration error of all ERS points from 0.103 to 0.02 mm.