bluuebunny/crossref_metadata_2025 huggingface dataset:
Grass Weed Control and Rice Response with Tetflupyrolimet-containing Programs
Authors: Castner Mason C. , Norsworthy Jason K. , Butts Thomas R. , Roberts Trenton L. , Bateman Nick R. , Faske Travis R.
Published: January 2025

Tetflupyrolimet is the first herbicide with a novel site of action labeled preemergence (PRE) and early postemergence for use in agronomic crops in the last three decades. Direct-seeded paddy rice field experiments were conducted near Stuttgart on a silt loam soil, AR, and Keiser on a clay soil, AR, to evaluate tetflupyrolimet-containing herbicide programs in comparison to commercial standards in conventional, imidazolinone-, and quizalofop-resistant rice systems. Additionally, a furrow-irrigated rice experiment was conducted near Colt, AR, on a silt loam soil, and Keiser to ensure clomazone and tetflupyrolimet mixtures compared to commercial standards. Twelve commonly planted rice cultivars were also evaluated in response to a single PRE or postemergence (POST) (2- to 3-leaf rice) application of tetflupyrolimet at 200 and 400 g ai ha-1 in a paddy rice system, near Colt. When averaged over soil texture and site-year, all herbicide programs, provided ≥98% barnyardgrass control at 56 d after (DA) the last application. Visible rice injury varied for each rice system. Still, injury rarely differed amongst herbicide programs, except at a single evaluation timing in the conventional (7 DA 3- to 4-leaf applications) and quizalofop-resistant (preflood) systems. All 12 rice cultivars displayed a high tolerance level to a single PRE or POST application of tetflupyrolimet at 200 and 400 g ai ha-1. No visible injury, stand loss, or negative impact on rice maturity or reduced grain yield was observed for any cultivar. Tetflupyrolimet will be an effective alternative SOA in a program approach for barnyardgrass while maintaining excellent rice crop safety.
Supernatural Enemies Affect Outgroup Attitudes Through Strength of Human Identity?
Authors: Yao Shay Xuejing , Ellithorpe Morgan E. , Ewoldsen David , Holt Lanier
Published: January 2025

Abstract: Previous research investigated how a shared human identity may promote interracial inclusion in the context of mass media ( Ellithorpe et al., 2018 ). The original study found promising results of reduced intergroup prejudice through watching the supernatural genre. However, the original results had mixed support to theory, that is, the Common Ingroup Identity Model (CIIM). To test whether the expected and unexpected results of Ellithorpe et al. (2018) would exhibit again with a different sample, we replicated and extended this research. The overall pattern of our findings is consistent with the original study, in that we again found a cross-over interaction between human identity cues (human villains vs. nonhuman villains) and diversity cues (all-White heroes vs. racially diverse heroes) on the strength of human identity. Participants reported stronger human identity when watching racially diverse heroes fighting against nonhuman villains compared to human villains. Participants also reported stronger human identity when watching White heroes fighting against human villains compared to non-human villains. However, we are hesitant to claim that Ellithorpe et al.’s results were fully replicated in our research as most simple main effects of group comparisons were statistically nonsignificant. Overall, our findings offered limited support to Ellithorpe et al.’s original study and minimal support to CIIM. Our experiment also extended the original research. We found that the impact of watching supernatural genre on ingroup relationship may be more likely to work through reduced negative attitudes rather than increased positive attitudes.
Seasonal Mixed Layer Temperature in the Congolese Upwelling System
Authors: Ngakala R. D. , Alory G. , Da‐Allada C. Y. , Dadou I. , Cardot C. , Morvan G. , Jouanno J. , Illig S. , Baloïtcha E.
Published: January 2025

The Congolese upwelling system (CoUS), located along the West African coast north of the Congo River, is one of the most productive and least studied systems in the Gulf of Guinea. The minimum sea surface temperature in the CoUS occurs in austral winter, when the winds are weak and not particularly favorable to coastal upwelling. Here, for the first time, we use a high‐resolution regional ocean model to identify the key atmospheric and oceanic processes that control the seasonal evolution of the mixed layer temperature in a 1°‐wide coastal band from 6°S to 4°S. The model is in good agreement with observations on seasonal timescales, and in particular, it realistically reproduces the signature of the surface upwelling during the austral winter, the shallow mixed layer due to salinity stratification, and the signature of coastal wave propagation. The analysis of the mixed layer heat budget for the year 2016 reveals a competition between warming by air‐sea fluxes, dominated by the incoming shortwave radiation throughout the year, and cooling by vertical mixing at the base of the mixed layer, as other tendency terms remain weak. The seasonal cooling is induced by vertical mixing, where local wind‐driven dynamics play a secondary role compared to subsurface processes. A subsurface analysis shows that remotely forced coastal‐trapped waves raise the thermocline from April to August, which strengthens the vertical temperature gradient at the base of the mixed layer and leads to the mixing‐induced seasonal cooling in the Congolese upwelling system.
15N Fractionation of Nitrate Formation Constrained by Dual Oxygen Isotopes Provides Insight Into Its Source Identification in Urban Haze
Authors: Feng Xinxin , Chen Yingjun , Peng Yu , Song Weiwei , Chen Jianmin , Chen Tian
Published: January 2025

δ15N‐NO3− is widely used to trace the NOx/NO3− emission sources without unique source tracers. However, there is still controversy regarding the 15N fractionation effects during NO3− formation, leading to uncertain source apportionment. To address this, this study introduces dual oxygen isotopes (∆17O and δ18O) to constrain the 15N fractionation (∆15N‐∆17O/∆15N‐δ18O) of NO3− formation and compare the impact of δ15N‐NOx (∆17O) and δ15N‐NOx (δ18O) on NOx/NO3− source apportionment. Results found significant differences in ∆15N‐∆17O (−3.7 ∼ +16.1‰) and ∆15N‐δ18O (+8.5 ∼ +16.2‰) in haze, reflecting the ∆15N from three pathways (NO2 + OH, NO3 + HC, N2O5 hydrolysis) and two pathways (NO2 + OH and N2O5 hydrolysis), respectively. The 15N fractionation value differences obtained by dual oxygen isotopes increases with the increase of NO3 + HC contribution (0.02–0.65). Additionally, different results of NOx/NO3− sources apportionment were obtained by δ15N‐NOx(17O) and δ15N‐NOx(δ18O) in NO3 + HC‐induced haze. For example, δ15N‐NOx(17O) identified coal combustion (46 ± 8%) and biomass burning (32 ± 3%) as major NOx/NO3− sources in Zibo haze. Conversely, δ15N‐NOx(δ18O) revealed mobile sources (55 ± 8%) and biomass burning (22 ± 5%) as main contributors. Evidence from diurnal variation of sources and characteristics of source tracers show that δ15N‐NOx(17O) analysis is more sensitive and accurate than δ15N‐NOx(δ18O). These results highlight the non‐negligible role of NO3 + HC in 15N fractionation during NO3− formation and provide insight into improving 15N tracing techniques for NOx/NO3− source identification through the constraint of dual oxygen isotopes.
Radiation Impact of the Halloween GLE Events During the October–November 2003 Period
Authors: Larsen N. , Mishev A.
Published: January 2025

From late October to early November 2003, one of the strongest recorded geomagnetic storms occurred due to heightened solar activity. Three ground‐level enhancement events (GLEs) took place during this period, GLE 65, 66, and 67, known as the Halloween events. In this work we expand upon and use, the newly developed and verified dosimetric model Oulu CRAC:DOMO (Cosmic Ray Atmospheric Cascade: Dosimetric Model) to compute the radiation impact of the Halloween events at an altitude typical for aviation, that is of 35 kft. Complex magnetospheric modeling was performed for each GLE event and the deep Forbush decrease present was reconstructed and accounted for. Using a conservative approach, the computed total effective dose for all three Halloween GLEs was 135 Sv in polar regions, an increase of 129% above the galactic cosmic ray background induced dose. While this is a significant increase, we conclude that the radiation hazard posed to aircrew and passengers was relatively minor. In addition, a comparison between flight dosimetric measurements taken during the Halloween events and CRAC:DOMO showed a good agreement.
Microscopic and quantitative characterization of germanium-indium bearing by-product from heavy metal metallurgy
Authors: Piotrowicz Andrzej , Noga Piotr , Skrzekut Tomasz , Kozub-Budzyń Gabriela A. , Wędrychowicz Maciej , Skarupska Dominika
Published: January 2025

This article presents the results of study on the material characterization of germanium-indium drosses (Ge-In-D). Ge-In-D are a by-product of obtaining zinc and lead, which are currently not processed yet. Due to the exceptionally high concentrations of germanium and indium in them, as well as the commercial value of these elements, it became important to properly identify Ge-In-D, which was the aim of this work. Ge-In-D were characterized quantitatively and microscopic analyzes were also performed. The chemical composition of Ge-In-D was determined as follows (percentage by mass): 27.195% Sn; 20.737% Pb; 15.764% Cu; 9.782% As; 9.274% Ge; 7.875% In; 3.872% Fe; 2.617% Ag; S, Ni, Zn, Ga, Se, Cd, Sb as the rest. The combination of granulometry and chemical analyzes shows that germanium and indium tend to accumulate in fine fractions.
Investigating heavy quarkonia binding in an anisotropic-dense quark-gluon plasma with topological defects in the framework of fractional non-relativistic quark model
Authors: Abu-shady M. , Fath-Allah H. M.
Published: January 2025

The quark-gluon plasma analysis relies on the heavy quark potential, which is influenced by the anisotropic plasma parameter

$$(\xi ),$$

(
ξ
)
,

temperature (t), and baryonic chemical potential (μ). Employing the generalized fractional derivative Nikiforov-Uvarov (GFD-NU) method, we solved the topologically-fractional Schrödinger equation. Two scenarios were explored: the classical model (α = β = 1) and the fractional model (α, β < 1). This allowed us to obtain the binding energy of charmonium

$$(c\bar{c})$$

(
c

c

¯

)

and bottomonium

$$(b\bar{b})$$

(
b

b

¯

)

in the 1p state. The presence of the topological defect leads to a splitting between the np and nd states. While increasing the temperature reduces the binding energy, increasing the anisotropic parameter has the opposite effect. Compared to the classical model, the fractional model yields lower binding energies. Additionally, the binding energy further decreases with increasing topological defect parameter, and the influence of the baryonic chemical potential is negligible. We also obtained the wave function for the p-state of charmonium and bottomonium. Here, increasing the anisotropic parameter shifts the wave function to higher values. Moreover, the wave function is lower in the fractional model compared to the classical model. Increasing the topological defect parameter again increases the wave function, while the baryonic chemical potential has no discernible effect.
MLP Enhanced CO2 Emission Prediction Model with LWSSA Nature Inspired Optimization
Authors: Mussa Agoub Abdulhafith Younes , Khalifa Wagdi M. S.
Published: January 2025

Environmental degradation due to the rapid increase in CO₂ emissions is a pressing global challenge, necessitating innovative solutions for accurate prediction and policy development. Machine learning (ML) techniques offer a robust approach to modeling complex relationships between various factors influencing emissions. Furthermore, ML models can learn and interpret the significance of each factor’s contribution to the rise of CO2. This study proposes a novel hybrid framework combining a Multi-Layer Perceptron (MLP) with an enhanced Locally Weighted Salp Swarm Algorithm (LWSSA) to address the limitations of traditional optimization techniques, such as premature convergence and stagnation in locally optimal solutions. The LWSSA improves the standard Salp Swarm Algorithm (SSA) by incorporating a Locally Weighted Mechanism (LWM) and a Mutation Mechanism (MM) for greater exploration and exploitation. The LWSSA-MLP framework achieved a prediction accuracy of 97% and outperformed traditional optimizer-based MLP models across several evaluation metrics. A permutation feature significance analysis identified global trade, coal energy, export levels, urbanization, and natural resources as the most influential factors in CO₂ emissions, offering valuable insights for targeted interventions. The study provides a reliable and scalable framework for CO₂ emission prediction, contributing to actionable strategies for sustainable development and environmental resilience.
E3 ubiquitin ligase CHIP facilitates cAMP and cGMP signalling cross-talk by polyubiquitinating PDE9A
Authors: Hao Xiaoyan , Hu Zhengwei , Li Mengjie , Zhang Shuo , Tang Mibo , Hao Chenwei , Qi Shasha , Liang Yuanyuan , Almeida Michael F , Smith Kaitlan , Zuo Chunyan , Feng Yanmei , Guo Mengnan , Ma Dongrui , Li Shuangjie , Wang Zhiyun , Sun Yuemeng , Deng Zhifen , Mao Chengyuan , Xia Zongping , Jiang Yong , Gao Yanxia , Xu Yuming , Schisler Jonathan C , Shi Changhe
Published: January 2025

The carboxyl terminus of Hsc70-interacting protein (CHIP) is pivotal for managing misfolded and aggregated proteins via chaperone networks and degradation pathways. In a preclinical rodent model of CHIP-related ataxia, we observed that CHIP mutations lead to increased levels of phosphodiesterase 9A (PDE9A), whose role in this context remains poorly understood. Here, we investigated the molecular mechanisms underlying the role of PDE9A in CHIP-related ataxia and demonstrated that CHIP binds to PDE9A, facilitating its polyubiquitination and autophagic degradation. Conversely, dysfunctional CHIP disrupts this process, resulting in PDE9A accumulation, increased cGMP hydrolysis, and impaired PKG phosphorylation of CHIP at serine 19. This cascade further amplifies PDE9A accumulation, ultimately disrupting mitophagy and triggering neuronal apoptosis. Elevated PKA levels inhibit PDE9A degradation, further exacerbating this neuronal dysfunction. Notably, pharmacological inhibition of PDE9A via Bay 73-6691 or virus-mediated CHIP expression restored the balance of cGMP/cAMP signalling. These interventions protect against cerebellar neuropathologies, particularly Purkinje neuron mitophagy dysfunction. Thus, PDE9A upregulation considerably exacerbates ataxia associated with CHIP mutations, and targeting the interaction between PDE9A and CHIP is an innovative therapeutic strategy for CHIP-related ataxia.
Structural insights into binding-site access and ligand recognition by human ABCB1
Authors: Kurre Devanshu , Dang Phuoc X , Le Le T M , Gadkari Varun V , Alam Amer
Published: January 2025

ABCB1 is a broad-spectrum efflux pump central to cellular drug handling and multidrug resistance in humans. However, how it is able to recognize and transport a wide range of diverse substrates remains poorly understood. Here we present cryo-EM structures of lipid-embedded human ABCB1 in conformationally distinct apo-, substrate-bound, inhibitor-bound, and nucleotide-trapped states at 3.4–3.9 Å resolution, in the absence of stabilizing antibodies or mutations. The substrate-binding site is located within one half of the molecule and, in the apo state, is obstructed by the transmembrane helix (TM) 4. Substrate and inhibitor binding are distinguished by major TM rearrangements and their ligand binding chemistry, with TM4 playing a central role in all conformational transitions. Furthermore, our data identify secondary structure-breaking residues that impart localized TM flexibility and asymmetry between the two transmembrane domains. The resulting structural changes and lipid interactions that are induced by substrate and inhibitor binding can predict substrate-binding profiles and may direct ABCB1 inhibitor design.
A new stability indicating HPLC method with QDa and PDA detectors for the determination of process and degradation impurities of ivabradine including separation of diastereomeric N-oxides
Authors: Gülşen Büşra , Ertürk Toker Sıdıka
Published: January 2025

In this study, a new RP-HPLC method using two detectors was developed for the analysis of degradation and process impurities of ivabradine with the capability to separate diastereomeric N-oxides in pharmaceutical preparations.
Sulfonium-based polymethacrylamides for antimicrobial use: influence of the structure and composition
Authors: Kanwal Sidra , Aziz Umer Bin Abdul , Quaas Elisa , Achazi Katharina , Klinger Daniel
Published: January 2025

Structure–property relations for antimicrobial sulfonium-based polymers reveal that same-center structures show superior activity and selectivity compared to different-center and ammonium-based analogues of similar clog P.
Synthesis of indole-fused benzodiazepine derivatives by photocatalyzed cascade reaction
Authors: Oishi Tatsushi , Uchikura Tatsuhiro , Akiyama Takahiko
Published: January 2025

We have developed the economical and scalable construction of indole-fused diazepine derivatives under mild conditions from readily available substrates by using 10-phenylphenothiazine as a photocatalyst.
Spatiotemporal generation of alternating disparate pH domains via audible sound controlled opposing enzymatic reactions
Authors: Kim Mingyu , Mukhopadhyay Rahul Dev , Kim Kimoon , Hwang Ilha
Published: January 2025

Spatiotemporal control of acid- and base-producing enzymatic reactions using audible sound enables the creation of alternating disparate pH domains in a solution.
Enhancing selectivity of β-O-4 bond cleavage for lignin depolymerization via a sacrificial anode
Authors: Yu Zihan , Huang Zhenghui , Jiang Linbin , Li Wei
Published: January 2025

A sacrificial-anode strategy that enables depolymerization of lignin and the reuse of waste metal resources was reported.
Sonochemical synthesis of Zr-based metal–organic cages and their adsorption performance towards tartrazine
Authors: Wei De-Sheng , Li Jian , Xu Ting-Ting , Lan Wan-Yi , Lv Nan , Zhang Yu-Teng , Li Shuang-Bao
Published: January 2025

Zr-based metal–organic cages were synthesized for the first time using ultrasonic methods, showing good adsorption performance towards tartrazine.
A lot to unpack: a decade in high Z′ crystal structures
Authors: Waddell Paul G.
Published: January 2025

Crystal structures that form with more than one molecule in the asymmetric unit (Z′ > 1) are a fascinating and important, if overlooked, aspect of crystal engineering.
Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates
Authors: Lee Young Hoon , Atoini Youssef , Kusumoto Sotaro , Hayami Shinya , Kim Yang , Harrowfield Jack , Thuéry Pierre
Published: January 2025

A series of mixed-ligand uranyl ion complexes involving two new pyridinium-based dizwitterionic dicarboxylates coupled with dianionic dicarboxylates provides mono-, di-, and triperiodic coordination polymers.
Water as a catalyst in the reaction of nitrous acid (HONO) and Criegee intermediate (CH2OO)
Authors: Anand Vishva Jeet , Kumar Vivek , Kumar Amit , Kumar Pradeep
Published: January 2025

The present work employs the CCSD(T)/CBS//M06-2X/aug-cc-pVTZ level of theory to investigate the effect of a water monomer (WM) and dimer (WD) on the oxidation of nitrous acid (HONO) by a Criegee intermediate (CH2OO).
Phononic origin of resonance in atomic scale fatigue of MoS2
Authors: Dong Yun , Shi Bo , Tao Yi , Tang Xinyi , Wang Jinguang , Yang Futian , Liu Yifan
Published: January 2025

During the sinusoidal loading process of SL MoS2, when the excitation frequency is equal to the natural frequency and its harmonics, it will cause primary resonance and sub-harmonic resonance, respectively, resulting in local minima of fatigue life.
Steady state and transient absorption spectroscopy in metal halide perovskites
Authors: Ghasemi Mehri , Lu Junlin , Jia Baohua , Wen Xiaoming
Published: January 2025

This review emphasizes absorption spectroscopy as a key technique for exploring MHPs, detailing advances in steady-state and transient methods across optical to THz ranges and diverse timescales, providing critical insights into their optoelectronic properties and device applications.
MOF-derived ultrathin carbon nanosheets integrated with telluride nanoparticles: synergistic polysulfide adsorption and catalytic sites for enhanced sulfur redox reactions
Authors: Bi Wei , Li Canhuang , Yang Dawei , Zhang Yu-Zhen , Hu Lei , Gong Qianhong , Zhang Jie , Zhang Yongcai , Li Mengyao , Wei Jishi , Zhou Yingtang , Zhou Dan , Wu Tianli , Chen Li-Feng , Cabot Andreu
Published: January 2025

A novel strategy was developed to prepare ultrathin nitrogen-doped carbon nanosheets decorated with ultrafine FeTe2 nanoparticles, offering efficient catalytic and adsorption sites, which enables durable sulfur cathodes.
Optimal size and PEG coating of gold nanoparticles for prolonged blood circulation: a statistical analysis of published data
Authors: Nevozhay Dmitry , Rauch Ronald , Wang Zhongya , Sokolov Konstantin V.
Published: January 2025

A statistical meta-analysis of gold nanoparticles reveals non-linear interactions. The optimal design (diameter ≤ 40 nm and PEG ≥ 5 kDa) maximizes blood circulation, providing evidence-based guidelines for enhanced nanoparticle design in biomedicine.
A biocompatible β-cyclodextrin inclusion complex containing natural extracts: a promising antibiofilm agent
Authors: Alabrahim Obaydah Abd Alkader , Fytory Mostafa , Abou-Shanab Ahmed M. , Lababidi Jude , Fritzsche Wolfgang , El-Badri Nagwa , Azzazy Hassan Mohamed El-Said
Published: January 2025

Biofilms still pose a significant healthcare challenge, worldwide. βCD nanoparticles loaded with Boswellia sacra essential oils (BOS) hold promise for effectively preventing and disrupting bacterial biofilms.
Laser Surface Nanoalloying of Fe, Si, and C on Aluminum Substrate with Excellent Optical and Electronic Properties
Authors: Thahe Asad A. , Hilal Nahla , Qaeed Motahher A , Bidin Noriah , Abubakar Dauda , Allam Nageh
Published: January 2025

Laser surface alloying of Fe, Si, and C on aluminium is demonstrated using a q-witched Nd:YAG laser as the source of energy. The fundamental wavelength of the laser beam was...
Regulation of nano FePO4 precursors and exploration of influencing mechanisms in LiFePO4/C cathode
Authors: Yuan Yuzhu , Zhou Wenwen , Dai Xinyi , Wu Fuzhong , Chen Haijun , Mai Yi , Zhang Renguo , Guo Shan , Wang Jiexi
Published: January 2025

The iron phosphate (FePO4) process route has become the predominant method for synthesizing lithium iron phosphate (LiFePO4) due to its established technology and controllability.
Ball-in-ball SnO2/SnS@Void@C as anodes for enhanced electrochemical performances of Li/Na-ion batteries
Authors: Lv Rongguan , Xie Bin , Wu Xiaoyu , Yu Haiyan , Wu Qinahui , Guo Fang , Chen Ming
Published: January 2025

Ball-in-ball SnO2/SnS@Void@C can provide more active sites, shorten the ion diffusion distance, and alleviate volume expansion. SnO2/SnS@Void@C used as anodes in LIBs/SBIs display excellent electrochemical performance.
Folic-acid-functionalized Fe3O4@C@Pt nanozyme for synergistic catalytic-photothermal tumor therapy
Authors: Li Yanan , Xu Zhilong , Fan Lei
Published: January 2025

The study presents a Fe3O4@C@Pt nanozyme, modified with folic acid, that efficiently targets tumor cells and inhibits growth through combined photothermal therapy and catalysis.
Self-assembled inorganic nanomaterials for biomedical applications
Authors: Campos Miguel T. , Pires Laura S. , Magalhães Fernão D. , Oliveira Maria J. , Pinto Artur M.
Published: January 2025

Self-assembly methods are presented for inorganic nanomaterials used in bioapplications. The most promising in vitro and in vivo results are reported. A discussion on safety and biocompatibility issues, future challenges and prospects is performed.
Transformable cis–trans isomerism of ruthenium(ii) complexes with photoactivated anticancer activity
Authors: Pan Chen , Ho Pui-Yu , Huang Wan-Qiong , Huang Gui-Feng , Zhang Li-Hua , Tritton Daniel Nnaemaka , Yiu Shek-Man , Man Wai-Lun , Ko Chi-Chiu , Leung Chi-Fai , Ni Wen-Xiu
Published: January 2025

The cis-ruthenium(ii) complex C1 has low cytotoxicity and can be transformed into the highly cytotoxic trans-ruthenium(ii) complex T1 after photoactivation. T1 has a strong inhibitory effect on tumor cells in vitro and in vivo.
Deep-ultraviolet sulfamate halides with halogen-centered secondary building units for enhanced optical anisotropy
Authors: Wang Xuefei , Zhu Qingwen , Kuk Yunseung , Chen Hongheng , Wu Qi , Jing Qun , Ok Kang Min
Published: January 2025

Four DUV sulfamate halide co-crystals, AX(NH3SO3) (A = Rb, Cs; X = Cl, Br), have been successfully synthesized by combining [XAm] secondary building units with [NH3SO3] polar tetrahedra, leading to a significant enhancement in birefringence.
Six pairs of α-pyrone meroterpenoid dimers from Hypericum monogynum with anti-neuroinflammatory activity
Authors: Jin Jun , Li Yan-Ling , Chen Li-Hua , Zhang Feng , Zuo Xin-Yu , Zeng Yan-Rong , Yang Jue , Hao Xiao-Jiang , Yuan Chun-Mao
Published: January 2025

Hypericumonates A–C, the first α-pyrone meroterpenoid dimers with two motifs (a 6/6/4-6/6 ring system) connected via C-8–C-9, were isolated from Hypericum monogynum. (+)-1 exhibited good anti-neuroinflammatory activity.
New quinazolone–sulfonate conjugates with an acetohydrazide linker as potential antimicrobial agents: design, synthesis and molecular docking simulations
Authors: Kassem Asmaa F. , Ragab Sherif S. , Omar Mohamed A. , Altwaijry Najla A. , Abdelraof Mohamed , Temirak Ahmed , Saleh Asmaa , Srour Aladdin M.
Published: January 2025

A new series of quinazolinone–alkanesulfonates have been designed and synthesized as antimicrobial agents. Two derivatives exhibited potential MIC activity.
Sustainable corrosion prevention of mild steel in acidic media with Rumex Nepalensis herb extract
Authors: Kumari Amrita , Kaur Navneet , Kaur Manvinder , Husain Fohad Mabood , Bhowmik Pradip K. , Sohal Harvinder Singh
Published: January 2025

Rumex nepalensis shows eco-friendly potential as a green inhibitor for MS corrosion in 1 M H2SO4, achieving 98.35% efficiency with a protective barrier confirmed by weight loss, contact angle, UV-Vis, and SEM.
Recovery of iron as hematite and separation of trivalent lanthanide ions from spent hard disk magnet leach liquor using [P66614][Cy272] ionic liquid
Authors: Das Prasanjit , Behera Binapani , Sanjay Kali , Devi Niharbala
Published: January 2025

The widespread use of neodymium–iron–boron (NdFeB) magnets has raised concerns about the environmental impact of their disposal, prompting the need for sustainable recycling strategies.
Competing pathways to aromaticity governed by amine dehydrogenation and metal–organic complexation in on-surface synthesis
Authors: Lombana Andrés , Chaunchaiyakul Songpol , Chuzel Olivier , Hagebaum-Reignier Denis , Parrain Jean-Luc , Bocquet Franck , Nony Laurent , Loppacher Christian , Bondino Federica , Magnano Elena , Imada Hiroshi , Kazuma Emiko , Kim Yousoo , Giovanelli Luca , Clair Sylvain
Published: January 2025

Two distinct reaction pathways are observed on metal surfaces to preserve the dimer aromaticity.
Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion
Authors: Zhu Yikun , Borstelmann Jan , Neiss Christian , Wei Zheng , Görling Andreas , Kivala Milan , Petrukhina Marina A.
Published: January 2025

The stepwise reduction by 1–3 electrons of a π-expanded pyracylene with K and Rb reveals that in-build core asymmetry affects the spin-density distribution in the mono- and trianion radicals, as confirmed by EPR spectroscopy and DFT calculations.
Carbon removal efficiency and energy requirement of engineered carbon removal technologies
Authors: Sanchez Daniel L. , Psarras Peter , Murnen Hannah K. , Rogers Barclay
Published: January 2025

We conduct a harmonized lifecycle greenhouse gas assessment to compare the carbon removal efficiency and total energy required for twelve engineered carbon removal technologies.
Recent advances in characterization of rechargeable battery materials via scanning probe microscopy
Authors: Russell Joshua A. , Davis Paul H. , Efaw Corey M. , Xiong Hui
Published: January 2025

Scanning probe microscopy can be used to obtain topographical, mechanical, electrical, and electrochemical information on a wide range of materials in a variety of environments, including in situ and operando studies for rechargeable battery systems.
Synergistic effect of sidewall holes and encapsulated phosphorus to improve lithium storage in single-walled carbon nanotubes
Authors: Vorfolomeeva Anna A. , Fedoseeva Yuliya V. , Shlyakhova Elena V. , Kovalenko Konstantin A. , Makarova Anna A. , Gerasimov Evgeny Yu. , Okotrub Alexander V. , Bulusheva Lyubov G.
Published: January 2025

Creating holes in single-walled carbon nanotubes and shortening the encapsulated red phosphorus chains improves lithium accommodation in the nanomaterial.
Evolution of branched peptides as novel biomaterials
Authors: Little Matthew J. , Mason Jody M. , Mehrban Nazia
Published: January 2025

Branched peptide-based systems mimic dendritic structures to improve biomaterial performance for medical applications with slower degradation, greater stiffness, and self-assembly capabilities.
Synergistic antibacterial drug elution from UHMWPE for load-bearing implants
Authors: Inverardi Nicoletta , Serafim Maria F. , Marzouca Anthony , Fujino Keita , Ferreira Matheus , Asik Mehmet D. , Sekar Amita , Muratoglu Orhun K. , Oral Ebru
Published: January 2025

The repositioning of the non-antibiotic compound bupivacaine enhances the antibacterial activity of drug loaded UHMWPE with outstanding mechanical properties, ensuring its suitability for load-bearing applications.
A steric hindrance-regulated probe with single excitation dual emissions for self-adaptive detection of biothiols and H2S in human urine samples and living cells
Authors: Wang Zhan , Shi Wenbo , Gong Yi-Jun , Du Yanjun , Luo Wei , Zhou Huang , Pan Ke
Published: January 2025

A steric-hindrance regulated probe NBD-2FDCI for self-adaptive detection of biothiols and H2S in human urine and living cells.
A carbon dot anchored bacterial cellulose hybrid platform as a fluorescent sensor and photocatalytic remover of pharmaceuticals
Authors: Mate Nirmiti , Nabeela Kallayi , Mobin Shaikh M.
Published: January 2025

In the present work, one arrow two hawk approach was implemented to enable fluorometric trace level detection as well as photocatalytic remediation of antibiotic drugs tetracycline and doxycycline using M-CDs@BC a luminescent hydrogel composite.
Delayed Versus Atypical Speech Sound Development: A Markedness-Based Analysis of Speech Sound Disorder in Cantonese
Authors: Maggu Akshay R. , Shi Xinyuan , Kager Rene , Wong Patrick C. M. , To Carol K. S.
Published: January 2025

Purpose:

Speech sound disorder (SSD) is one of the major speech disorders in school-age children. Given the heterogeneity in terms of subtypes within SSD, there is a need to develop techniques for a quick identification of these subtypes. Furthermore, given the paucity of studies from children with SSD from Cantonese-speaking homes and a noted prevalence of SSDs in Cantonese-speaking children, it becomes even more important to investigate the subtypes of SSDs in Cantonese-speaking children. In the current study, using a combined traditional ranking-based and novel weightage-based optimality theory (OT) approach, we conducted an inquiry in Cantonese-speaking 3- to 6-year-olds with and without SSD.

Method:

We compared the speech sound productions from 31 children with SSD (3 years old:
n
= 12; 4 years old:
n
= 9; 5 years old:
n
= 10) with 30 typically developing children (3 years old:
n
= 9; 4 years old:
n
= 10; 5 years old:
n
= 11). Speech samples were analyzed using a ranking-based and weightage-based OT approach.

Results:

Using the markedness hierarchy among affricates, fricatives, and plosives, we found that 77.4% of children in the SSD group conformed to the “delay” subtype, while 22.6% of children within the SSD group conformed to the “atypical” subtype. More specifically, for the typically developing children and the SSD-delay subgroup, stopping, de-affrication, and de-aspiration were observed, and the weight difference between faithfulness and markedness constraints increased with age. On the contrary, for the SSD-atypical subgroup, frication, affrication, and aspiration were found, and the values of weight difference between constraints decreased with age.

Conclusions:

The findings from the current study suggest that the weightage-based Maximum Entropy grammar approach can delineate between the SSD subgroups (i.e., SSD-delay vs. SSD-atypical) defined by the ranking-based traditional OT approach. These findings offer a starting point into the development of objective tools for clinicians for detecting the SSD subgroups to make decisions on treatment type, as we speculate different treatment approaches for SSD-delay versus SSD-atypical subtypes.
Enhanced constant extinction angle control for subsequent commutation failure in LCC‐HVDC
Authors: Li Hao , Li Xiaohua , Ge Benjun , Sun Xiaoyu
Published: January 2025

To mitigate subsequent commutation failure (SCF) in line‐commutated converter‐based high‐voltage direct current transmission systems, the response and limitations of the control system are analysed. The results reveal that due to the prolonged negative deviation of the extinction angle during recovery, the integral output of the proportional–integral controller in constant extinction angle (CEA) significantly reduces the advanced firing angle order, even below normal operating angle. This directly leads to a delayed transition between control strategies and diminishes the effectiveness of CEA. Furthermore, the influence of fault severity, fault type, and AC system strength on SCF is examined. Based on these findings, an enhanced CEA control method to suppress SCF is proposed. By setting an expected firing angle and adaptively adjusting the integral parameter, the control strategy switching moment can be advanced, improving the CEA's control margin and enhancing capability. Moreover, introducing a notch filter reduces firing angle fluctuations and strengthens CEA's ability to suppress SCF. Finally, the theoretical analysis and the effectiveness of the proposed optimization method are validated.
Exoplanets in reflected starlight with dual-field interferometry
Authors: Lacour S. , Carrión-González Ó. , Nowak M.
Published: January 2025

Context. The direct observation of cold and temperate planets within 1 to 10 AU would be extremely valuable for uncovering their atmospheric compositions but remains a formidable challenge with current astronomical methods. Ground-based optical interferometry, capable of high angular-resolution imaging, offers a promising avenue for studying these exoplanets.

Aims. Our objective is to explore the fundamental limits of dual-field interferometry and assess its potential for characterising exoplanets in reflected light using the Very Large Telescope Interferometer (VLTI).

Methods. We developed analytical expressions to describe the performance of dual-field interferometry and integrated these with simulations of atmospheric wavefronts corrected by extreme adaptive optics. An analytical solution for optimal phase apodization was formulated to enhance starlight rejection when injected into a single-mode fibre. This framework was applied to determine the detectability of known exoplanets in reflected light across various wavelength bands for both the current VLTI and a proposed extended version.

Results. Our results indicate that employing shorter wavelengths improves detectability, enabling at least seven Jupiter-mass exoplanets to be observed in the J band with current VLTI’s baselines. Adding new baselines with lengths beyond 200 meters significantly enhances VLTI’s capabilities, increasing the number of detectable exoplanets and revealing potential habitable zone candidates such as τ Ceti e and Proxima Centauri b.

Conclusions. To substantially improve the VLTI’s exoplanet characterisation capabilities, we recommend developing instrumentation at wavelengths shorter than 1 µm, and increasing the baselines length by the addition of a fifth Unit Telescope (UT5).
The TW Hydrae Association is a cluster chain of Sco-Cen
Authors: Miret-Roig N. , Alves J. , Ratzenböck S. , Galli P. A. B. , Bouy H. , Figueras F. , Großschedl J. , Meingast S. , Posch L. , Rottensteiner A. , Swiggum C. , Wagner N.
Published: January 2025

The TW Hydrae Association (TWA) is a young local association (YLA) about 50 pc from the Sun, offering a unique opportunity to study star and planet formation processes in detail. We characterized TWA’s location, kinematics, and age, investigating its origin within the Scorpius-Centaurus (Sco-Cen) OB association. Using Gaia DR3 astrometric data and precise ground-based radial velocities, we identified substructures within TWA, tentatively dividing them into TWA-a and TWA-b. Sco-Cen’s massive cluster σ Cen (15 Myr, 1805 members) may have influenced TWA’s formation. The alignment of σ Cen, TWA-a, and TWA-b in 3D positions, velocities, and ages resembles patterns in regions such as Corona Australis, suggesting that TWA is part of a cluster chain from sequential star formation induced by massive stars in Sco-Cen. TWA’s elongation in the opposite direction to that produced by Galactic differential rotation indicates its shape is still influenced by its formation processes and will dissipate in less than 50 Myr due to Galactic forces. These findings unveil the nature of YLAs and low-mass clusters in a new light. We propose that clusters such as ϵ Chamaeleontis, η Chamaeleontis, and TWA were forged by stellar feedback from massive stars in Sco-Cen, while others–such as β Pictoris, Carina, Columba, and Tucana-Horologium–are older and formed differently. Remarkably, all these YLAs and Sco-Cen are part of the α Persei cluster family, a vast kiloparsec-scale star formation event active over the past 60 Myr. This suggests that YLAs are the smallest stellar structures emerging from major star formation episodes and should be common in the Milky Way. Crucially, their formation in regions with intense stellar feedback may have influenced planet formation in these systems.
The ALMA-ATOMS survey: Vibrationally excited HC3N lines in hot cores
Authors: Chen Li , Qin Sheng-Li , Liu Tie , Goldsmith Paul F. , Liu Xunchuan , Peng Yaping , Tang Xindi , Garay Guido , Kou Zhiping , Tang Mengyao , Sanhueza Patricio , Li Zi-Yang , Gorai Prasanta , Das Swagat R. , Bronfman Leonardo , Dewangan Lokesh , García Pablo , Li Shanghuo , Lee Chang Won , Liu Hong-Li , Tóth L. Viktor , Chibueze James O. , Hwang Jihye , Li Xiaohu , Xu Fengwei , Zou Jiahang , Jiao Wenyu , Zhang Zhenying , Zhang Yong
Published: January 2025

Context. Interstellar molecules are excellent tools for studying the physical and chemical environments of massive star-forming regions. In particular, the vibrationally excited HC3N (HC3N*) lines are the key tracers for probing hot cores environments.

Aims. We present the Atacama Large Millimeter/submillimeter Array (ALMA) 3 mm observations of HC3N* lines in 60 hot cores and investigate how the physical conditions affect the excitation of HC3N* transitions.

Methods. We used the XCLASS for line identification. Under the assumption of local thermodynamic equilibrium, we derived the rotation temperature and column density of HC3N* transitions in hot cores. Additionally, we calculated the H2 column density and number density, along with the abundance of HC3N* relative to H2, to enable a comparison of the physical properties of hot cores with different numbers of HC3N* states.

Results. We have detected HC3N* lines in 52 hot cores, 29 of which show more than one vibrationally excited state. Hot cores with higher gas temperatures have more detections of these vibrationally excited lines. The excitation of HC3N* requires dense environments, and its spatial distribution is affected by the presence of UC HII regions. The observed column density of HC3N* contributes to the number of HC3N* states in hot-core environments.

Conclusions. After analyzing the various factors influencing HC3N* excitation in hot cores, we conclude that the excitation of HC3N* is mainly driven by mid-IR pumping, while collisional excitation is ineffective.
Hunting pre-stellar cores with APEX IRAS16293E (Oph464)
Authors: Spezzano S. , Redaelli E. , Caselli P. , Sipilä O. , Harju J. , Lique F. , Arzoumanian D. , Pineda J. E. , Wyrowski F. , Belloche A.
Published: January 2025

Context. Pre-stellar cores are the first steps in the process of star and planet formation. However, the dynamical and chemical evolution of pre-stellar cores is still not well understood. Our partial knowledge of the chemical and physical structure of pre-stellar cores, as well as how they are fed and influenced by the surrounding environment, limits the level of knowledge that we can achieve at later stages in the star and planet formation process, from protostellar cores to exoplanets.

Aims. Our aims are to estimate the central density of the pre-stellar core IRAS16293E and to carry out an inventory of molecular species towards the density peak of the core.

Methods. We observed high-J rotational transitions of N2H+ and N2D+, and several other molecular lines towards the dust emission peak using the Atacama Pathfinder EXperiment (APEX) telescope, and derived the density and temperature profiles of the core using far-infrared surface brightness maps from Herschel. The N2H+ and N2D+ lines were analysed by non-local thermodynamic equilibrium (non-LTE) radiative transfer modelling.

Results. Our best-fit core model consists of a static inner region, embedded in an infalling envelope with an inner radius of approximately 3000 au (21″ at 141 pc). The observed high-J lines of N2H+ and N2D+ (with critical densities greater than 106 cm−3) turn out to be very sensitive to depletion; the present single-dish observations are best explained with no depletion of N2H+ and N2D+ in the inner core. The N2D+/N2H+ ratio that best reproduces our observations is 0.44, one of the highest observed to date in pre-stellar cores. Additionally, half of the molecules that we observed are deuterated isotopologues, confirming the high level of deuteration towards this source.

Conclusions. Non-LTE radiative transfer modelling of N2H+ and N2D+ lines proved to be an excellent diagnostic of the chemical structure (i.e. molecular freeze-out) and dynamics (infall velocity profile) of a pre-stellar core. Probing the physical conditions immediately before the protostellar collapse is a necessary reference for theoretical studies and simulations with the aim of understanding the earliest stages of star and planet formation and the timescale of this process.
The 4 m International Liquid Mirror Telescope: Construction, operation, and science
Authors: Surdej J. , Hickson P. , Misra K. , Banerjee D. , Ailawadhi B. , Akhunov T. , Borra E. , Dubey M. , Dukiya N. , Filali S. , Hellemeier J. , Kharayat M. , Kumar B. , Kumar H. , Kumar M. , Kumar T. S. , Kumari P. , Negi V. , Pospieszalska-Surdej A. , Prabhavu S. , Pradhan B. , Pranshu K. , Rawat H. , Reddy B. K. , Sasidharan Pillai A. , Singh K. , Tremblay S. , Turakhia S. , Vijay S.
Published: January 2025

The International Liquid Mirror Telescope (ILMT) project was motivated by the need for an inexpensive 4 metre diameter optical telescope that could be devoted entirely to astronomical surveys. Its scientific programmes include the detection and study of transients, variable objects, asteroids, comets, space debris and low surface brightness galaxies. To this end, a collaboration was formed between the Institute of Astrophysics and Geophysics (Liège University, Belgium), several Canadian universities (University of British Columbia, Laval University, University of Montreal, University of Toronto, York University, University of Victoria) and the Aryabhatta Research Institute of Observational Sciences (ARIES, India). After several years of design work in Belgium and construction in India on the ARIES Devasthal site, the telescope saw its first light on 29 April 2022. Its commissioning phase lasted from May 2022 until June 2023 (beginning of the monsoon). The ILMT was inaugurated on 21 March 2023 and has been in regular operation since October 2023. The telescope continuously observes the sky passing at the zenith using the SDSS ɡ′, r′, and i′ filters. This paper describes the ILMT, its operation, performance and shows some initial results.
Pseudo-energy-preserving explicit Runge–Kutta methods
Authors: de León Gabriel A. Barrios , Ketcheson David I. , Ranocha Hendrik
Published: January 2025

Using a recent characterization of energy-preserving B-series, we derive the explicit con- ditions on the coefficients of a Runge–Kutta method that ensure energy preservation (for Hamiltonian systems) up to a given order in the step size, which we refer to as the pseudo-energy-preserving (PEP) order. We study explicit Runge–Kutta methods with PEP order higher than their classical order. We provide examples of such methods up to PEP order six, and test them on Hamiltonian ODE and PDE systems. We find that these methods behave similarly to exactly energy-conservative methods over moderate time intervals and exhibit significantly smaller errors, relative to other Runge–Kutta methods of the same order, for moderately long-time simulations.
High order Semi-IMEX BDF schemes for nonlinear partial integro-differential equations arising in finance
Authors: Wang Wansheng , Mao Mengli , Jiang Xiao , Wang Lehan
Published: January 2025

In this paper, semi-implicit–explicit (Semi-IMEX) and semi-implicit multistep methods are proposed to solve nonlinear partial integro-differential equations (PIDEs), which describe the option pricing models with transaction costs or illiquid markets under Merton’s jump-diffusion process. After spatial differential operators are treated by using finite difference methods and the jump integral is computed by using the composite trapezoidal rule, the consistency error and global error bounds for the semi-IMEX and semi-implicit multistep methods for abstract PIDEs are provided when the nonlinear operator satisfies the boundedness and coercivity conditions. A numerical study is carried out for different option pricing models based on the convergence properties of the schemes and the comparison of the different Greek values. Numerical experiments verify our theoretical results and illustrate the intrinsic nature of the proposed option pricing models under jump-diffusion models with transaction costs or illiquid markets.