bluuebunny/crossref_metadata_2025 huggingface dataset:
Amnesties as a means of encouraging transition and strengthening the application of IHL in Colombia: The case of the Special Jurisdiction for Peace
Authors: Giraldo Muñoz Marcela
Published: October 2024

Bearing in mind that the peace process between the Colombian government and the Revolutionary Armed Forces of Colombia – People's Army (Fuerzas Armadas Revolucionarias de Colombia – Ejército del Pueblo, FARC-EP) has been an important milestone for transitional justice, this article aims to share some of the good practices and achievements of this process, as well as the setbacks and challenges that could be avoided in future peace processes. The article will highlight relevant contributions from the Chamber for Amnesty or Pardon (CAP) such as impacting the resocialization of former FARC-EP members and developing international humanitarian law discussions in relation to war crimes and less serious crimes. Additionally, it will describe some of the main challenges faced by the CAP, such as the high number of applications for transitional benefits that it receives, the high number of proceedings that it supervises, and the security concerns arising from implementing a peace agreement in a country still in conflict.
A Multi‐Sensor Approach for the Characterization of Tropical Cyclone Induced Swell—Application to TC Larry, 2021
Authors: Pouplin Clément , Mouche Alexis , Chapron Bertrand
Published: October 2024

Sea states are likely highly complex and variable under tropical cyclone (TC) conditions. Outrunning the inner core TC vortex, swell systems can radiate in different directions with different wavelengths. Jointly using several sources of wave observations, it is demonstrated that directional properties of wave fields induced by a TC can now be very well recovered. Directional wave information extracted from Sentinel‐1 wave mode and CFOSAT SWIM are combined with Sofar Spotter drifters and NDBC buoy network. Specific filtering is applied to deal with respective limitations of these observation systems. High consistency between the different data sources is generally obtained, to provide evolving directional distributions of radiating swell systems during the whole TC life time. TC wave properties can then trace particular events associated to extended fetch effects, quantifying the asymmetrical directional wavelength distributions, as function of the TC main characteristics evolving with time (intensity, size, translation).
Experiments on Constriction‐Pool‐Widening Morphology in Bedrock Canyons
Authors: Kusack Kyle M. , Li Tingan , Venditti Jeremy G.
Published: October 2024

Bedrock rivers often alternate between relatively wide unconstrained reaches and conspicuously narrow deep incised bedrock reaches (canyons). These bedrock canyons exhibit a constriction‐pool‐widening (CPW) morphology that consists of a lateral constriction, a deeply scoured pool formed downstream of the constriction, and a channel widening at or near the pool exit. To explore how CPWs are formed in bedrock canyons, we hypothesize that the lateral constriction at the canyon entrance forces a CPW to form allogenically with subsequent CPWs propagating further downstream. Our hypothesis was tested experimentally in a flume channel with a forced lateral constriction at the canyon entrance. Our experiment shows that the forced constriction can cause a primary CPW to form allogenically because the backwater upstream of the forced constriction causes sediment deposition that creates an elevation drop, promoting flow and sediment to plunge toward the bed and carve a primary pool. Channel widening occurs at the primary pool exit because sediment deposit forms that deflects sediment into the banks, causing lateral erosion. Downstream of the primary widening, channel width declines and a new lateral constriction forms, which causes the formation of pools and widening downstream, resulting in downstream CPW propagation. In our experiment, the bedrock channel evolved until a persistent alluvial cover formed, reaching a steady state morphology without further vertical erosion until perturbed by higher discharge. Our experiment shows that discharge variation is necessary for a channel to evolve in the absence of uplift.
PET clinical study of novel antipsychotic LB-102 demonstrates unexpectedly prolonged dopamine receptor target engagement
Authors: Wong Dean F. , Chand Ganesh B. , Caito Nicole , Eramo Anna , Grattan Vincent T. , Hixon Mark S. , Nicol Ginger , Lessie Erin , Prensky Zachary , Kuwabara Hiroto , Tian Lucy , Valenta Ines , Schindler Thomas H. , Gründer Gerhard , Vaino Andrew R.
Published: October 2024

Regulation of dopamine activity has important clinical consequences, most notably in schizophrenia. LB-102, N-methyl amisulpride, is a novel dopamine D2/3/5-HT7 inhibitor being developed as a treatment for schizophrenia and other psychiatric disorders. The characteristic that is common to all current antipsychotics is their engagement of D2 dopamine receptors. The goal of this study was to measure the dopamine receptor occupancy of orally administered LB-102 at three different doses (50, 75, and 100 mg as single doses and 50 and 100 mg as multiple doses) and at different timepoints in healthy volunteers using positron emission tomography (PET) with 11C raclopride as a radiotracer. Results of this study (NCT04588129) showed that steady-state once daily oral dosing of 50 mg LB-102 afforded striatal dopamine occupancy (RO) in the desired 60–80% range consistently over the course of 24 h. Contrary to the often observed relationship between RO vs plasma concentrations, maximum dopamine RO significantly lagged maximum plasma concentration and showed little variability under steady state conditions. A similar phenomenon has recently been reported with a non-racemic version of amisulpride [1]. LB-102 was generally safe and well-tolerated at all doses. Results of this study were used to inform dosing in a subsequent Phase 2 clinical study in schizophrenia patients.
TMEM209 promotes hepatocellular carcinoma progression by activating the Wnt/β-catenin signaling pathway through KPNB1 stabilization
Authors: Fang Haoran , Shi Xiaoyi , Gao Jie , Yan Zhiping , Wang Yun , Chen Yabin , Zhang Jiacheng , Guo Wenzhi
Published: October 2024

Hepatocellular carcinoma (HCC) is the most common malignancy in the liver, with a poor prognosis. Transmembrane protein 209 (TMEM209) involves multiple biological processes, such as substance transportation and signal transduction, and is abundantly expressed in tumor tissues. However, the relationship between TMEM209 and HCC has not been comprehensively elucidated. In this study, we aimed to illustrate this issue by in vitro and in vivo experiments. Bioinformatic analysis and clinical sample validation revealed that TMEM209 was upregulated in HCC and correlated with reduced survival duration. Functionally, TMEM209 promoted the proliferation, migration, invasion, and EMT of HCC cells in vitro and facilitated tumor growth and metastasis in xenograft models. Mechanistically, TMEM209 promoted the proliferation and metastasis of HCC in a KPNB1-dependent manner. Specifically, TMEM209 could bind to KPNB1, thereby competitively blocking the interaction between KPNB1 and the E3 ubiquitin ligase RING finger and CHY zinc finger domain-containing protein 1 (RCHY1) and preventing K48-associated ubiquitination degradation of KPNB1. Ultimately, the Wnt/β-catenin signaling pathway was activated, contributing to the progression of the malignant phenotype of HCC. In conclusion, the molecular mechanism underlying the TMEM209/KPNB1/Wnt/β-catenin axis in HCC progression was elucidated. TMEM209 is a potential biomarker and therapeutic target for HCC.
Single-cell spatiotemporal analysis reveals alveolar dendritic cell–T cell immunity hubs defending against pulmonary infection
Authors: Cong Boyi , Dong Xuan , Yang Zongheng , Yu Pin , Chai Yangyang , Liu Jiaqi , Zhang Meihan , Zang Yupeng , Kang Jingmin , Feng Yu , Liu Yi , Feng Weimin , Wang Dehe , Deng Wei , Li Fengdi , Song Zhiqi , Wang Ziqiao , Chen Xiaosu , Qin Hua , Yu Qinyi , Li Zhiqing , Liu Shuxun , Xu Xun , Zhong Nanshan , Ren Xianwen , Qin Chuan , Liu Longqi , Wang Jian , Cao Xuetao
Published: October 2024

How immune cells are spatiotemporally coordinated in the lung to effectively monitor, respond to, and resolve infection and inflammation in primed form needs to be fully illustrated. Here we apply immunocartography, a high-resolution technique that integrates spatial and single-cell RNA sequencing (scRNA-seq) through deconvolution and co-localization analyses, to the SARS-CoV-2-infected Syrian hamster model. We generate a comprehensive transcriptome map of the whole process of pulmonary infection from physiological condition, infection initiation, severe pneumonia to natural recovery at organ scale and single-cell resolution, with 142,965 cells and 45 lung lobes from 25 hamsters at 5 time points. Integrative analysis identifies that alveolar dendritic cell–T cell immunity hubs, where Ccr7+Ido1+ dendritic cells, Cd160+Cd8+ T cells, and Tnfrsf4+Cd4+ T cells physiologically co-localize, rapidly expand during SARS-CoV-2 infection, eliminate SARS-CoV-2 with the aid of Slamf9+ macrophages, and then restore to physiological levels after viral clearance. We verify the presence of these cell subpopulations in the immunity hubs in normal and SARS-CoV-2-infected hACE2 mouse models, as well as in publicly available human scRNA-seq datasets, demonstrating the potential broad relevance of our findings in lung immunity.
Impacts of the feedback loop between sense-antisense RNAs in regulating circadian rhythms
Authors: Uriu Koichiro , Hernandez-Sanchez Juan P. , Kojima Shihoko
Published: October 2024

Antisense transcripts are a unique group of non-coding RNAs and play regulatory roles in a variety of biological processes, including circadian rhythms. Per2AS is an antisense transcript to the sense core clock gene Period2 (Per2) in mouse and its expression is rhythmic and antiphasic to Per2. To understand the impact of Per2AS-Per2 interaction, we developed a new mathematical model that mechanistically described the mutually repressive relationship between Per2 and Per2AS. This mutual repression can regulate both amplitude and period of circadian oscillation by affecting a negative feedback regulation of Per2. Simulations from this model also fit with experimental observations that could not be fully explained by our previous model. Our revised model can not only serve as a foundation to build more detailed models to better understand the impact of Per2AS-Per2 interaction in the future, but also be used to analyze other sense-antisense RNA pairs that mutually repress each other.
A multiantigenic Orf virus-based vaccine efficiently protects hamsters and nonhuman primates against SARS-CoV-2
Authors: Reguzova Alena , Müller Melanie , Pagallies Felix , Burri Dominique , Salomon Ferdinand , Rziha Hanns-Joachim , Bittner-Schrader Zsofia , Verstrepen Babs E. , Böszörményi Kinga P. , Verschoor Ernst J. , Gerhauser Ingo , Elbers Knut , Esen Meral , Manenti Alessandro , Monti Martina , Rammensee Hans-Georg , Derouazi Madiha , Löffler Markus W. , Amann Ralf
Published: October 2024

Among the common strategies to design next-generation COVID-19 vaccines is broadening the antigenic repertoire thereby aiming to increase efficacy against emerging variants of concern (VoC). This study describes a new Orf virus-based vector (ORFV) platform to design a multiantigenic vaccine targeting SARS-CoV-2 spike and nucleocapsid antigens. Vaccine candidates were engineered, either expressing spike protein (ORFV-S) alone or co-expressing nucleocapsid protein (ORFV-S/N). Mono- and multiantigenic vaccines elicited comparable levels of spike-specific antibodies and virus neutralization in mice. Results from a SARS-CoV-2 challenge model in hamsters suggest cross-protective properties of the multiantigenic vaccine against VoC, indicating improved viral clearance with ORFV-S/N, as compared to equal doses of ORFV-S. In a nonhuman primate challenge model, vaccination with the ORFV-S/N vaccine resulted in long-term protection against SARS-CoV-2 infection. These results demonstrate the potential of the ORFV platform for prophylactic vaccination and represent a preclinical development program supporting first-in-man studies with the multiantigenic ORFV vaccine.
Efficient conversion of syngas to linear α-olefins by phase-pure χ-Fe5C2
Authors: Wang Peng , Chiang Fu-Kuo , Chai Jiachun , Dugulan A. Iulian , Dong Juan , Chen Wei , Broos Robin J. P. , Feng Bo , Song Yuanjun , Lv Yijun , Lin Quan , Wang Rongming , Filot Ivo A. W. , Men Zhuowu , Hensen Emiel J. M.
Published: October 2024

Oil has long been the dominant feedstock for producing fuels and chemicals, but coal, natural gas and biomass are increasingly explored alternatives1–3. Their conversion first generates syngas, a mixture of CO and H2, which is then processed further using Fischer–Tropsch (FT) chemistry. However, although commercial FT technology for fuel production is established, using it to access valuable chemicals remains challenging. A case in point is linear α-olefins (LAOs), which are important chemical intermediates obtained by ethylene oligomerization at present4–8. The commercial high-temperature FT process and the FT-to-olefin process under development at present both convert syngas directly to LAOs, but also generate much CO2 waste that leads to a low carbon utilization efficiency9–14. The efficiency is further compromised by substantially fewer of the converted carbon atoms ending up as valuable C5–C10 LAOs than are found in the C2–C4 olefins that dominate the product mixtures9–14. Here we show that the use of the original phase-pure χ-iron carbide can minimize these syngas conversion problems: tailored and optimized for the process of FT to LAOs, this catalyst exhibits an activity at 290 °C that is 1–2 orders higher than dedicated FT-to-olefin catalysts can achieve above 320 °C (refs. 12–15), is stable for 200 h, and produces desired C2–C10 LAOs and unwanted CO2 with carbon-based selectivities of 51% and 9% under industrially relevant conditions. This higher catalytic performance, persisting over a wide temperature range (250–320 °C), demonstrates the potential of the system for developing a practically relevant technology.
Global profiling of protein complex dynamics with an experimental library of protein interaction markers
Authors: Dörig Christian , Marulli Cathy , Peskett Thomas , Volkmar Norbert , Pantolini Lorenzo , Studer Gabriel , Paleari Camilla , Frommelt Fabian , Schwede Torsten , de Souza Natalie , Barral Yves , Picotti Paola
Published: October 2024

Methods to systematically monitor protein complex dynamics are needed. We introduce serial ultrafiltration combined with limited proteolysis-coupled mass spectrometry (FLiP–MS), a structural proteomics workflow that generates a library of peptide markers specific to changes in PPIs by probing differences in protease susceptibility between complex-bound and monomeric forms of proteins. The library includes markers mapping to protein-binding interfaces and markers reporting on structural changes that accompany PPI changes. Integrating the marker library with LiP–MS data allows for global profiling of protein–protein interactions (PPIs) from unfractionated lysates. We apply FLiP–MS to Saccharomyces cerevisiae and probe changes in protein complex dynamics after DNA replication stress, identifying links between Spt-Ada-Gcn5 acetyltransferase activity and the assembly state of several complexes. FLiP–MS enables protein complex dynamics to be probed on any perturbation, proteome-wide, at high throughput, with peptide-level structural resolution and informing on occupancy of binding interfaces, thus providing both global and molecular views of a system under study.
Rastermap: a discovery method for neural population recordings
Authors: Stringer Carsen , Zhong Lin , Syeda Atika , Du Fengtong , Kesa Maria , Pachitariu Marius
Published: October 2024

Neurophysiology has long progressed through exploratory experiments and chance discoveries. Anecdotes abound of researchers listening to spikes in real time and noticing patterns of activity related to ongoing stimuli or behaviors. With the advent of large-scale recordings, such close observation of data has become difficult. To find patterns in large-scale neural data, we developed ‘Rastermap’, a visualization method that displays neurons as a raster plot after sorting them along a one-dimensional axis based on their activity patterns. We benchmarked Rastermap on realistic simulations and then used it to explore recordings of tens of thousands of neurons from mouse cortex during spontaneous, stimulus-evoked and task-evoked epochs. We also applied Rastermap to whole-brain zebrafish recordings; to wide-field imaging data; to electrophysiological recordings in rat hippocampus, monkey frontal cortex and various cortical and subcortical regions in mice; and to artificial neural networks. Finally, we illustrate high-dimensional scenarios where Rastermap and similar algorithms cannot be used effectively.
Enhancing diffusion-weighted prostate MRI through self-supervised denoising and evaluation
Authors: Pfaff Laura , Darwish Omar , Wagner Fabian , Thies Mareike , Vysotskaya Nastassia , Hossbach Julian , Weiland Elisabeth , Benkert Thomas , Eichner Cornelius , Nickel Dominik , Wuerfl Tobias , Maier Andreas
Published: October 2024

Diffusion-weighted imaging (DWI) is a magnetic resonance imaging (MRI) technique that provides information about the Brownian motion of water molecules within biological tissues. DWI plays a crucial role in stroke imaging and oncology, but its diagnostic value can be compromised by the inherently low signal-to-noise ratio (SNR). Conventional supervised deep learning-based denoising techniques encounter challenges in this domain as they necessitate noise-free target images for training. This work presents a novel approach for denoising and evaluating DWI scans in a self-supervised manner, eliminating the need for ground-truth data. By leveraging an adapted version of Stein’s unbiased risk estimator (SURE) and exploiting a phase-corrected combination of repeated acquisitions, we outperform both state-of-the-art self-supervised denoising methods and conventional non-learning-based approaches. Additionally, we demonstrate the applicability of our proposed approach in accelerating DWI scans by acquiring fewer image repetitions. To evaluate denoising performance, we introduce a self-supervised methodology that relies on analyzing the characteristics of the residual signal removed by the denoising approaches.
Structure of endothelin ETB receptor–Gi complex in a conformation stabilized by unique NPxxL motif
Authors: Tani Kazutoshi , Maki-Yonekura Saori , Kanno Ryo , Negami Tatsuki , Hamaguchi Tasuku , Hall Malgorzata , Mizoguchi Akira , Humbel Bruno M. , Terada Tohru , Yonekura Koji , Doi Tomoko
Published: October 2024

Endothelin type B receptor (ETBR) plays a crucial role in regulating blood pressure and humoral homeostasis, making it an important therapeutic target for related diseases. ETBR activation by the endogenous peptide hormones endothelin (ET)−1–3 stimulates several signaling pathways, including Gs, Gi/o, Gq/11, G12/13, and β-arrestin. Although the conserved NPxxY motif in transmembrane helix 7 (TM7) is important during GPCR activation, ETBR possesses the lesser known NPxxL motif. In this study, we present the cryo-EM structure of the ETBR–Gi complex, complemented by MD simulations and functional studies. These investigations reveal an unusual movement of TM7 to the intracellular side during ETBR activation and the essential roles of the diverse NPxxL motif in stabilizing the active conformation of ETBR and organizing the assembly of the binding pocket for the α5 helix of Gi protein. These findings enhance our understanding of the interactions between GPCRs and G proteins, thereby advancing the development of therapeutic strategies.
Patterns of (micro)nutrient limitation across the South Pacific Ocean
Authors: Liu Haoran , Yuan Zhongwei , Gosnell Kathleen J. , Liu Te , Tammen Juliane K. , Wen Zuozhu , Engel Anja , Liu Xin , Huang Bangqin , Kao Shuh‐Ji , Achterberg Eric P. , Browning Thomas J.
Published: October 2024

Nutrient limitation regulates phytoplankton growth throughout much of the global ocean and its assessment is important for our understanding of future changes in ocean productivity. The South Pacific Ocean represents a vast region where limiting nutrients have so far been investigated with only a handful of experiments. Here we report the results of eleven nutrient addition bioassay experiments conducted across the South Pacific Ocean at ca. 30°S as part of the GEOTRACES GP21 expedition. Nitrogen addition alone stimulated chlorophyll-a accumulation at all sites, whilst increases were larger following supplementary addition of iron in the eastern and central basin, and phosphate in the western basin. Enhanced iron stress following nitrogen addition in the eastern and central basin further pointed towards ambient iron concentrations approaching co-limiting levels. The overall east-to-west shift in serial limiting nutrients from iron to phosphate was attributed to a broadscale east-west increase in iron availability relative to nitrogen.
Activity, structure, and diversity of Type II proline-rich antimicrobial peptides from insects
Authors: Huang Weiping , Baliga Chetana , Aleksandrova Elena V , Atkinson Gemma , Polikanov Yury S , Vázquez-Laslop Nora , Mankin Alexander S
Published: October 2024

Apidaecin 1b (Api), the first characterized Type II Proline-rich antimicrobial peptide (PrAMP), is encoded in the honey bee genome. It inhibits bacterial growth by binding in the nascent peptide exit tunnel of the ribosome after the release of the completed protein and trapping the release factors. By genome mining, we have identified 71 PrAMPs encoded in insect genomes as pre-pro-polyproteins. Having chemically synthesized and tested the activity of 26 peptides, we demonstrate that despite significant sequence variation in the N-terminal sequence, the majority of the PrAMPs that retain the conserved C-terminal sequence of Api are able to trap the ribosome at the stop codons and induce stop codon readthrough—all hallmarks of Type II PrAMP mode of action. Some of the characterized PrAMPs exhibit superior antibacterial activity in comparison with Api. The newly solved crystallographic structures of the ribosome complexed with Api and with the more active peptide Fva1 from the stingless bee demonstrate the universal placement of the PrAMPs’ C-terminal pharmacophore in the post-release ribosome despite variations in their N-terminal sequence.
Mechanism and Structure–Activity Relationships of Catalytic CO2 Methanation
Authors: Simons J. F. M. , Kosinov N. , Hensen E. J. M.
Published: October 2024

In the context of large-scale utilisation of renewable energy sources, mitigating the fluctuating nature of renewable power generation is crucial. Synthetic natural gas, produced from CO2 and H2 derived from water electrolysis, is considered a potential energy carrier to store excess electrical energy. The viability of this “power-to-gas” concept will, amongst others, depend on active and inexpensive catalytic systems. Typical CO2 methanation catalysts are supported transition and noble metals. Understanding the mechanism, periodic trends, structure sensitivity and support effects of the Sabatier reaction is essential to develop better methanation catalysts. In this chapter, recent advances in understanding and controlling the performance of methane production from CO2 will be reviewed by examining key mechanistic proposals and structure–activity relationships.
Designing a novel paper-based microfluidic disc for rapid and simultaneous determination of multiple nutrient salts in water
Authors: Sun Zhentao , Zhao Youquan , Liu Yameng , Chen Chen , Chen Hao
Published: October 2024

A paper-based microfluidic disc is used for the rapid determination of various nutrients in water.
A Ru(ii) complex-based COX-2 targeting type I photosensitizer evokes ferroptosis and apoptosis
Authors: Qi Fen , Zheng Xiaoxue , Wu Yanping , Li Shumeng , Yao Shankun , He Weijiang , Chen Yuncong , Guo Zijian
Published: October 2024

A COX-2 targeting type I photosensitizer (PS) RuCXB with improved targetability to cancer cells was developed, which showed less O2-dependence and realized high PDT therapeutic effect via the synergism of ferroptosis and apoptosis.
Boosting sodium-ion batteries performance by N-doped carbon spheres featuring porous and hollow structures
Authors: Yang Ying , Deng Tao , Nie Xuyuan , Wen Huaiyu , Cao Liuyue , Sun Shigang , Zhang Binwei
Published: October 2024

Nitrogen-doped carbon spheres with porous and hollow structure to boost the ICE, capacity and rate performance for sodium ion batteries.
Copper-catalyzed strain-enabled reaction of bicyclobutanes with diazo compounds to synthesize penta-1,4-dienes
Authors: Yang Peng , Brockmann Till , Wu Xiao-Feng
Published: October 2024

A copper-catalyzed reaction between bicyclobutanes and diazo compounds to create penta-1,4-dienes (skipped dienes) has been developed.
Synergetic spin crossover and fluorescence in a mononuclear iron(iii) complex
Authors: Fan Zi-Xuan , Lian Kai-Ting , Liao Pei-Yu , Ruan Ze-Yu , Ni Zhao-Ping , Tong Ming-Liang
Published: October 2024

The synergetic effect between abrupt spin crossover and fluorescence is observed for the first time in an iron(iii) complex.
Modulation of the electronic and magnetic properties of an MnCrNO2 ferromagnetic semiconductor MXene
Authors: Dewamuni Sudil Sandeepa , Vithanage Buddi Oshada , Çakır Deniz , Dilanga Siriwardane Edirisuriya M.
Published: October 2024

A DFT study explored the properties of MnCrNO2 MXene, revealing a linear relationship of its band gap and magnetic anisotropy energy as a function of biaxial strain. Adsorption of alkali and alkaline earth metals significantly modulates the band gap.
First-principles calculations of proton defect properties in Ca-doped YPO4
Authors: Lee Gyeongseo , Ogawa Takafumi , Shitara Kazuki , Kuwabara Akihide
Published: October 2024

Proton diffusion occurs along c-axis channels, with defect concentrations governed by proton-defect complexes in Ca-doped YPO4.
DFT study on the mechanism of methanol dehydrogenation over RuxPy surfaces
Authors: Lu Hao , Zhong Yuan , Jie Yao , Yin Pan , Shen Tian-Yao , Guo Jing-Yi , Pu Min , Yan Hong
Published: October 2024

P doping enhances the catalytic activity and stability of Ru. Mechanism of the methanol dehydrogenation reaction over RuxPy catalysts.
Enhancing coking resistance of nickel-based catalysts for dry reforming of methane via nitric oxide abatement: a support study
Authors: Senoner Beatrice , Osti Andrea , Glisenti Antonella
Published: October 2024

How to enhance DRM and NO carbon-assisted coupling using a support?
DFT calculation-aided optimisation of a chiral phosphoric acid catalyst: case study of kinetic resolution of racemic secondary alcohols through lactonisation
Authors: Ye Haiting , Sato Takuma , Nakanishi Taishi , Ito Shigetomo , Umemiya Shigenobu , Terada Masahiro
Published: October 2024

Chiral phosphoric acid catalysts were screened rationally and efficiently through the theoretical prediction model of the kinetic resolution of racemic γ-hydroxybutyrate without performing an exhaustive search for plausible lactonisation pathways.
Application of object detection and action recognition toward automated recognition of chemical experiments
Authors: Sasaki Ryosuke , Fujinami Mikito , Nakai Hiromi
Published: October 2024

Deep learning-based computer vision techniques enable object detection of chemical apparatus in images and action recognition of chemical experiment manipulations in videos.
Regulating local chemical softness of the collector to homogenize Li deposition for anode-free Li-metal batteries
Authors: Zhu Jiaming , Kang Cong , Xiao Xiangjun , Mao Ya , Luo Ying , Wang Yuheng , Zhang Quansheng , Ma Yulin , Du Chunyu , Lou Shuaifeng , Kong Fanpeng , Xie Jingying , Yin Geping
Published: October 2024

A heterogeneous collector featuring hard-base sites and soft-acid sites is proposed, which significantly reduces nucleation and growth barriers, with no dendrite formation. This finding offers a pathway to rationally design highly efficient collectors for AFLMBs.
Vertically aligned hematite nanosheets with (110) facets controllably exposed for ammonia synthesis with high Faraday efficiency beyond 2.5 A cm−2
Authors: Liu Jinfeng , Du Shiwen , Fan Wenjun , Li Qinglin , Yang Qi , Luo Lin , Li Jiangnan , Zhang Fuxiang
Published: October 2024

Vertically aligned Fe2O3-NS arrays with (110) crystal facets exhibit an ammonia FE of 95% at a current density exceeding 2.5 A cm−2.
Correction: Continuous production of 1,2-pentanediol from furfuryl alcohol over highly stable bimetallic Ni–Sn alloy catalysts
Authors: Nimbalkar Ajaysing S. , Oh Kyung-Ryul , Hong Do-Young , Park Byung Gyu , Lee Maeum , Hwang Dong Won , Awad Ali , Upare Pravin P. , Han Seung Ju , Hwang Young Kyu
Published: October 2024

Correction for ‘Continuous production of 1,2-pentanediol from furfuryl alcohol over highly stable bimetallic Ni–Sn alloy catalysts’ by Ajaysing S. Nimbalkar et al., Green Chem., 2024, https://doi.org/10.1039/D4GC02757D.
Variations in γ′ formers and refractory elements for enhanced creep resistance and phase stability of an advanced Ni-based superalloy
Authors: Feng Rui , Hung Chang-Yu , Antonov Stoichko , Poplawsky Jonathan D. , An Ke , Jablonski Paul D. , Detrois Martin
Published: October 2024

The strong demands on increasing fuel efficiency have continuously driven the optimization of superalloys for high-performance applications.
S-MGBs bearing amidine tail groups are potent, selective antiplasmodial agents
Authors: Perieteanu Marina , Garzon Tayner Rodriguez , McGee Leah M. C. , Khalaf Abedawn I. , Suckling Colin J. , Beveridge Rebecca , Avery Vicky M. , Scott Fraser J.
Published: October 2024

25 S-MGBs, including those bearing an amidine tail group, were investigated for their antiplasmodial, in vitro activity against 3D7 and Dd2 strains of P. falciparum. Several potent, and selective, hit compounds were identified.
Enhancing the antimycobacterial efficacy of pyridine-4-carbohydrazide: linkage to additional antimicrobial agents via oxocarboxylic acids
Authors: Pflégr Václav , Konečná Klára , Stolaříková Jiřina , Ősterreicher Jan , Janďourek Ondřej , Krátký Martin
Published: October 2024

Linking pyridine-4-carbohydrazide to other antimicrobial agents via oxocarboxylic acids significantly enhances efficacy against mycobacteria with promising selectivity and safety profiles.
Unveiling the potential of MXene-fabricated catalysts: an effective approach for H2 generation from water splitting
Authors: Abid Muhammad Zeeshan , Rafiq Khezina , Rauf Abdul , Hussain Ejaz
Published: October 2024

Ethanol assisted solvothermal approach was introduced to produce TiO2@Ti3C2Tx and TiO2@C catalysts for comparative H2 generation from water splitting.
A machine learning approach for in silico prediction of the photovoltaic properties of perovskite solar cells based on dopant-free hole-transport materials
Authors: Abdellah Islam M. , El-Shafei Ahmed
Published: October 2024

Machine learning approaches for building robust autoQSPR models for the prediction of the photovoltaic properties of PSCs based on dopant free hole transport materials.
Hollow NiCo-LDH polyhedrons for 1-second level humidity detection and respiratory monitoring
Authors: Wang Luyu , Ruan Chenghai , Yu Chunyang , Song Jia
Published: October 2024

The novel QCM humidity sensor based on hollow NiCo-LDH polyhedrons has a rapid response time of 1 second and can be used for respiratory monitoring.
Synthesis of di/tri-substituted carbazoles involving Pd-mediated Sonogashira coupling of indolyltriflates with aryl acetylenes
Authors: Agneswaran Rudrasenan , Mohanakrishnan Arasambattu K.
Published: October 2024

The Sonogashira coupling reaction of 2-(trimethylamino)methylindolyltriflates with aryl acetylenes followed by isomerization, thermal electrocyclization and 1,3-H shift to furnish the respective di- and tri-substituted carbazoles.
Advancing thermal management in electronics: a review of innovative heat sink designs and optimization techniques
Authors: Rahman Md Atiqur , Hasnain S. M. Mozammil , Paramasivam Prabhu , Ayanie Abinet Gosaye
Published: October 2024

The ongoing trend towards miniaturizing electronic devices and increasing their power densities has created substantial challenges in managing the heat they produce.
Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties
Authors: Kwon So Hyeon , Lee Sunwoo , Tessarolo Jacopo , Lee Haeri
Published: October 2024

A series of Zn(ii)-based complexes responded to halide removal or addition, triggering structural rearrangements and switching on/off catalytic activity.
Post-therapy via integrated curcumin and doxorubicin modified cerium-based UiO-66 MOFs using an antioxidant and anticancer therapeutic strategy
Authors: Liu Chao-Jan , Lin Jung-Hua , Li Man-Tzu , Cho Er-Chieh , Lee Kuen-Chan
Published: October 2024

The integration capitalizes on the free radical scavenging abilities of cerium-based materials, boosting the system's antioxidant capacity. This novel drug delivery preserves the tumor suppressive impact of the anticancer drugs.
Inherently targeted estradiol-derived carbon dots for selective killing of ER (+) breast cancer cells via oridonin-triggered p53 pathway activation
Authors: Khan Aftab Hossain , Basak Ambalika , Zaman Afreen , Das Prasanta Kumar
Published: October 2024

E2-CA-CD, a target specific estradiol-derived carbon dot, diagnosed ER (+) MCF-7 cells via bioimaging, distinguishing them from ER (−) MDA-MB-231 and NIH3T3 cells. It delivered oridonin to MCF-7 cells, inducing apoptosis by p53 pathway upregulation.
Synthesis and properties of La18Fe5Cu4S26O8, a compound containing large magnetic clusters
Authors: Frøen Emil H. , Adler Peter , Valldor Martin
Published: October 2024

La18Fe5Cu4S26O8, a novel quinary compound exhibiting a crystal structure with both ordered and disordered features is reported. The compound exhibits cluster-glass magnetic properties, as a consequence of its unusual structure.
Assessment of Sacculocollic and Vestibulomasseteric Reflex Pathways in Individuals With Migraine and Vestibular Migraine
Authors: Sreedharan Sanitha Adithya , Sinha Sujeet Kumar
Published: October 2024

Purpose:

The study's objective was to evaluate the functioning of sacculocollic and vestibulomasseteric reflex pathways in individuals with vestibular migraine and migraine.

Method:

Seventy-five participants aged 18–50 years were selected for the study. Participants were divided into three groups. Group 1 consisted of 25 healthy individuals, Group 2 consisted of 25 migraine individuals, and Group 3 consisted of 25 individuals with vestibular migraine. Cervical vestibular-evoked myogenic potential (cVEMP) and masseter vestibular-evoked myogenic potential (mVEMP) were recorded using a 500-Hz tone burst stimulus presented at 125 dB peSPL for all participants.

Results:

The cVEMP test results showed a delayed p13 and n23 latency for both migraine and vestibular migraine individuals when compared to healthy individuals. Also, the amplitude of the p13-n23 peak was reduced compared to healthy individuals in both migraine and vestibular migraine. Similarly, the mVEMP test results showed a delayed p11 and n21 latency for both migraine and vestibular migraine individuals. No difference was observed in the amplitude of the p11-n21 peak complex between the three groups. Spearman's rho correlation revealed no significant (
p
> .05) correlation between cervical and masseter VEMP latency and amplitude parameters between healthy, migraine, and vestibular migraine individuals.

Conclusions:

The results of the study are suggestive of the pathology of the sacullocollic and vestibulomasseteric reflex pathways in individuals with migraine and vestibular migraine. Individuals with migraine and vestibular migraine should undergo a detailed vestibular evaluation.
Fractional order slide mode droop control for simultaneous voltage and frequency regulation of AC microgrid
Authors: Ibraheem Mohamad Issa , Edrisi Mehdi , Alhelou Hassan Haes , Gholipour Mehdi
Published: October 2024

This research proposes the application of fractional‐order sliding mode control (FOSMC) at the primary controller level to improve the stability of an islanded microgrid by adjusting its voltage and frequency. The control strategies used in the microgrid are performed in two levels (primary and secondary) in the islanded mode. Practically, most previous studies have worked to improve the primary controller. Droop control is one of the most commonly used methods at the primary level and is adopted in this study as well. The sliding mode control (SMC) strategy is normally used to control linear equations. Thus, the non‐linear microgrid equations were transformed into some linear ones using the input‐output feedback linearization technique. Further, a fractional sliding surface was acquainted. The sliding surface and FOSMC were designed to reject system uncertainties and organize the voltage and frequency. Design parameters were chosen using the Lyapunov stability theorem. The validation of the proposed method using Simulink‐MATLAB confirms its effectiveness in enhancing level power sharing, regulating frequency, and maintaining voltage stability across the system.
LBM-DEM modeling of particle-fluid interactions on active small solar bodies
Authors: Wang Qiujun , Cheng Bin , Baoyin Hexi , Piao Ying
Published: October 2024

Context. Aeolian-like surface features observed on small Solar System bodies have piqued interest in their underlying formation mechanisms. Understanding the evolution of fluid-solid interactions is crucial for elucidating the nature of cometary activity.

Aims. We established a resolved fluid-particle simulation approach and implemented it into our self-developed DEMBody and LBM-Coupler codes to simulate the wind erosion process on comet 67P.

Methods. We developed this novel framework by applying the lattice Boltzmann method-discrete element method (LBM-DEM) in a low-gravity and rarefied atmosphere environment. The inter-particle forces were modeled using the Hertz contact model, friction, and cohesion. The fluid field was calculated by solving the lattice Boltzmann equations, which use the distribution function as the variable. The fluid-particle forces were modeled using the partially saturated cells method, in which the force is calculated based on the populations of the fluid cells occupied by the solid phase. We conducted 2D and 3D validation simulations and a series of simulations of a regolith layer as a preliminary application to validate the framework.

Results. The validation results of the drag coefficient under 2D and 3D conditions are in good agreement with previous theoretical and numerical estimates. Additionally, the wind erosion process on the surface of comet 67P is reproduced using the presented approach. This preliminary application show that the threshold velocity to initiate grain motion on comet 67P is about 25 m/s, which is consistent with the observations that sediment transport driven by winds frequently occurs near the perihelion of comet 67P.

Conclusions. The proposed LBM-DEM framework can be successively applied to simulate the fluid-solid interaction on small solar bodies that have extremely low-gravity and rarefied atmosphere environments. Future works based on this tool and focused on aeolian geologic landforms, such as sand dunes, can help us understand the dynamics of cometary activity.
X-ray reverberation modelling of the continuum, optical/UV time-lags in quasars
Authors: Langis D. A. , Papadakis I. E. , Kammoun E. , Panagiotou C. , Dovčiak M.
Published: October 2024

Context. Extensive, multi-wavelength monitoring campaigns of nearby and higher redshift active galactic nuclei (AGN) have shown that the UV/optical variations are well correlated with time delays which increase with increasing wavelength. Such behaviour is expected in the context of the X-ray thermal reverberation of the accretion disc in AGN.

Aims. Our main objective is to use time-lag measurements of luminous AGN and fit them with sophisticated X-ray reverberation time-lags models. In this way we can investigate whether X-ray reverberation can indeed explain the observed continuum time lags, and whether time-lag measurements can be used to measure physical parameters such as the X-ray corona height and the spin of the black hole (BH) in these systems.

Methods. We use archival time-lag measurements for quasars from different surveys, and we compute their rest frame, mean time-lags spectrum. We fit the data with analytical X-ray reverberation models, using χ2 statistics, and fitting for both maximal and non spinning BHs, for various colour correction values and X-ray corona heights.

Results. We found that X-ray reverberation can explain very well the observed time lags, assuming the measured BH mass, accretion rate and X-ray luminosity of the quasars in the sample. The model agrees well with the data both for non-rotating and maximally rotating BHs, as long as the corona height is larger than ∼40 gravitational radii. This is in agreement with previous results which showed that X-ray reverberation can also explain the disc radius in micro-lensed quasars, for the same corona heights. The corona height we measure depends on the model assumption of a perfectly flat disc. More realistic disc models may result in lower heights for the X-ray corona.
Proton ingestion in asymptotic giant branch stars as a possible explanation for J-type stars and AB2 grains
Authors: Choplin A. , Siess L. , Goriely S.
Published: October 2024

Context. J-type stars are a subclass of carbon stars that are generally Li-rich, not enriched in s-elements, and have low 12C/13C ratios. They were suggested to be the manufacturers of the pre-solar grains of type AB2 (having low 12C/13C and supersolar 14N/15N).

Aims. In this Letter, we investigate the possibility that J-type stars are early asymptotic giant branch (AGB) stars that experienced a proton ingestion event (PIE).

Methods. We used the stellar evolution code STAREVOL to compute AGB stellar models with initial masses of 1, 2, and 3M⊙ and metallicities [Fe/H] = − 0.5 and 0.0. We included overshooting above the thermal pulse and used a network of 1160 nuclei coupled to the transport equations. The outputs of these models were compared to observations of J-type stars and AB2 grains.

Results. In solar-metallicity AGB stars, PIEs can be triggered if a sufficiently high overshoot is considered. These events lead to low 12C/13C ratios, high Li abundances, and no enrichment in s-elements. We find that the 2 − 3 M⊙ AGB models experiencing a PIE can account for most of the observational features of J-type stars and AB2 grains. The remaining tensions between models and observations are (1) the low 14N/15N ratio of some AB2 grains and of 2 out of 13 J-type stars, (2) the high 26Al/27Al of some AB2 grains, and (3) the J-type stars with A(Li) < 2. Extra mixing mechanisms can alleviate some of these tensions, such as thermohaline or rotation.

Conclusions. This work highlights a possible match between AGB stellar models that undergo a PIE and J-type stars and AB2 grains. To account for other types of carbon stars, such as N-type stars, PIEs should only develop in a fraction of solar-metallicity AGB stars. Additional work is needed to assess how the occurrence of PIEs depends on mixing parameters and initial conditions, and therefore to further confirm or exclude the proposed scenario.
The high-energy cyclotron line in 2S 1417-624 discovered with Insight-HXMT during the 2018 outburst
Authors: Liu Q. , Santangelo A. , Kong L. D. , Ducci L. , Ji L. , Wang W. , Serim M. M. , Güngör C. , Tuo Y. L. , Serim D.
Published: October 2024

We report a detailed timing and spectral analysis of the X-ray pulsar 2S 1417−624 using the data from Insight-HXMT during the 2018 outburst. The pulse profiles are highly variable with respect to both unabsorbed flux and energy. A double-peaked pulse profile from the low flux evolved to a multi-peaked shape in the high-flux state. The pulse fraction is negatively correlated to the source flux in the range of ∼(1 − 6)×10−9 erg cm−2 s−1, consistent with Rossi X-ray Timing Explorer (RXTE) studies during the 2009 giant outburst. The energy-resolved pulse profiles around the peak outburst showed a four-peak shape in the low-energy bands and gradually evolved to triple peaks at higher energies. The continuum spectrum is well described by typical phenomenological models, such as the cut-off power law and the power law with high-energy cut-off models. Notably, we discovered high-energy cyclotron resonant scattering features (CRSFs) for the first time, which are around 100 keV with a statistical significance of ∼7σ near the peak luminosity of the outburst. This CRSF line is significantly detected with different continuum models and provides very robust evidence for its presence. Furthermore, pulse-phase-resolved spectroscopy confirmed the presence of the line, whose energy varied from 97 to 107 keV over the pulse phase and appeared to have a maximum value at the narrow peak phase of the profiles.
Failed supernova explosions increase the duration of star formation in globular clusters
Authors: Wirth Henriette , Haas Jaroslav , Šubr Ladislav , Jerabkova Tereza , Yan Zhiqiang , Kroupa Pavel
Published: October 2024

Context. The duration of star formation (SF) in globular clusters (GCs) is an essential aspect for understanding their formation. Contrary to previous presumptions that all stars above 8 M⊙ explode as core-collapse supernovae (CCSNe), recent evidence suggests a more complex scenario.

Aims. We analyse iron spread observations from 55 GCs to estimate the number of CCSNe explosions before SF termination, thereby determining the SF duration. This work for the first time takes the possibility of failed CCSNe into account, when estimating the SF duration.

Methods. Two scenarios are considered: one where all stars explode as CCSNe and another where only stars below 20 M⊙ lead to CCSNe, as most CCSN models predict that no failed CCSNe happen below 20 M⊙ .

Results. This establishes a lower (≈3.5 Myr) and an upper (≈10.5 Myr) limit for the duration of SF. Extending the findings of our previous paper, this study indicates a significant difference in SF duration based on CCSN outcomes, with failed CCSNe extending SF by up to a factor of three. Additionally, a new code is introduced to compute the SF duration for a given CCSN model.

Conclusions. The extended SF has important implications on GC formation, including enhanced pollution from stellar winds and increased binary star encounters. These results underscore the need for a refined understanding of CCSNe in estimating SF durations and the formation of multiple stellar populations in GCs.