bluuebunny/crossref_metadata_2025 huggingface dataset:
An ancient ecospecies of Helicobacter pylori
Authors: Tourrette Elise , Torres Roberto C. , Svensson Sarah L. , Matsumoto Takashi , Miftahussurur Muhammad , Fauzia Kartika Afrida , Alfaray Ricky Indra , Vilaichone Ratha-Korn , Tuan Vo Phuoc ,   Helicobacter Genomics Consortium, Aftab Hafeza , Tshering Lotay , Prasad Dhakal Guru , Tshibangu-Kabamba Evariste , Tumba Ghislain Disashi , de Jesus Ngoma-Kisoko Patrick , Tshimpi-Wola Antoine , Ngoyi Dieudonné Mumba , Kashala Pascal Tshiamala , Cruz Modesto , Abreu José Jiménez , Hosking Celso , Ronkainen Jukka , Aro Pertti , Sugihartono Titong , Syam Ari Fahrial , Waskito Langgeng Agung , Maulahela Hasan , Rezkitha Yudith Annisa Ayu , Panirani Shaho Negahdar , Aghdaei Hamid Asadzadeh , Zali Mohammad Reza , Mirzaei Nasrin , Latifi-Navid Saeid , Matsuhisa Takeshi , Subsomwong Phawinee , Terao Hideo , Saruuljavkhlan Batsaikhan , Shimoyama Tadashi , Kinjo Nagisa , Kinjo Fukunori , Murakami Kazunari , Myint Thein , Aye Than Than , Ni New , Yee Than Than , Htet Kyaw , Shrestha Pradeep Krishna , Sharma Rabi Prakash , Rathnayake Jeewantha , Lamawansa Meegahalande Durage , Rudbeck Emilio , Agreus Lars , Andreasson Anna , Engstrand Lars , Mahachai Varocha , Ratanachu-Ek Thawee , Pawa Kammal Kumar , Thi Huyen Trang Tran , Binh Tran Thanh , Khien Vu Van , Dung Ho Dang Quy , Narith Dou , Wang Difei , Yadegar Abbas , Olsson Lisa M. , Zhou Zhemin , Yamaoka Yoshio , Thorell Kaisa , Falush Daniel
Published: October 2024

Helicobacter pylori disturbs the stomach lining during long-term colonization of its human host, with sequelae including ulcers and gastric cancer1,2. Numerous H. pylori virulence factors have been identified, showing extensive geographic variation1. Here we identify a ‘Hardy’ ecospecies of H. pylori that shares the ancestry of ‘Ubiquitous’ H. pylori from the same region in most of the genome but has nearly fixed single-nucleotide polymorphism differences in 100 genes, many of which encode outer membrane proteins and host interaction factors. Most Hardy strains have a second urease, which uses iron as a cofactor rather than nickel3, and two additional copies of the vacuolating cytotoxin VacA. Hardy strains currently have a limited distribution, including in Indigenous populations in Siberia and the Americas and in lineages that have jumped from humans to other mammals. Analysis of polymorphism data implies that Hardy and Ubiquitous coexisted in the stomachs of modern humans since before we left Africa and that both were dispersed around the world by our migrations. Our results also show that highly distinct adaptive strategies can arise and be maintained stably within bacterial populations, even in the presence of continuous genetic exchange between strains.
Spatial proteomics identifies JAKi as treatment for a lethal skin disease
Authors: Nordmann Thierry M. , Anderton Holly , Hasegawa Akito , Schweizer Lisa , Zhang Peng , Stadler Pia-Charlotte , Sinha Ankit , Metousis Andreas , Rosenberger Florian A. , Zwiebel Maximilian , Satoh Takashi K. , Anzengruber Florian , Strauss Maximilian T. , Tanzer Maria C. , Saito Yuki , Gong Ting , Thielert Marvin , Kimura Haruna , Silke Natasha , Rodriguez Edwin H. , Restivo Gaetana , Nguyen Hong Ha , Gross Annette , Feldmeyer Laurence , Joerg Lukas , Levesque Mitchell P. , Murray Peter J. , Ingen-Housz-Oro Saskia , Mund Andreas , Abe Riichiro , Silke John , Ji Chao , French Lars E. , Mann Matthias
Published: October 2024

Toxic epidermal necrolysis (TEN) is a fatal drug-induced skin reaction triggered by common medications and is an emerging public health issue1–3. Patients with TEN undergo severe and sudden epidermal detachment caused by keratinocyte cell death. Although molecular mechanisms that drive keratinocyte cell death have been proposed, the main drivers remain unknown, and there is no effective therapy for TEN4–6. Here, to systematically map molecular changes that are associated with TEN and identify potential druggable targets, we utilized deep visual proteomics, which provides single-cell-based, cell-type-resolution proteomics7,8. We analysed formalin-fixed, paraffin-embedded archived skin tissue biopsies of three types of cutaneous drug reactions with varying severity and quantified more than 5,000 proteins in keratinocytes and skin-infiltrating immune cells. This revealed a marked enrichment of type I and type II interferon signatures in the immune cell and keratinocyte compartment of patients with TEN, as well as phosphorylated STAT1 activation. Targeted inhibition with the pan-JAK inhibitor tofacitinib in vitro reduced keratinocyte-directed cytotoxicity. In vivo oral administration of tofacitinib, baricitinib or the JAK1-specific inhibitors abrocitinib or upadacitinib ameliorated clinical and histological disease severity in two distinct mouse models of TEN. Crucially, treatment with JAK inhibitors (JAKi) was safe and associated with rapid cutaneous re-epithelialization and recovery in seven patients with TEN. This study uncovers the JAK/STAT and interferon signalling pathways as key pathogenic drivers of TEN and demonstrates the potential of targeted JAKi as a curative therapy.
Lung and liver editing by lipid nanoparticle delivery of a stable CRISPR–Cas9 ribonucleoprotein
Authors: Chen Kai , Han Hesong , Zhao Sheng , Xu Bryant , Yin Boyan , Lawanprasert Atip , Trinidad Marena , Burgstone Benjamin W. , Murthy Niren , Doudna Jennifer A.
Published: October 2024

Lipid nanoparticle (LNP) delivery of clustered regularly interspaced short palindromic repeat (CRISPR) ribonucleoproteins (RNPs) could enable high-efficiency, low-toxicity and scalable in vivo genome editing if efficacious RNP–LNP complexes can be reliably produced. Here we engineer a thermostable Cas9 from Geobacillus stearothermophilus (GeoCas9) to generate iGeoCas9 variants capable of >100× more genome editing of cells and organs compared with the native GeoCas9 enzyme. Furthermore, iGeoCas9 RNP–LNP complexes edit a variety of cell types and induce homology-directed repair in cells receiving codelivered single-stranded DNA templates. Using tissue-selective LNP formulations, we observe genome-editing levels of 16‒37% in the liver and lungs of reporter mice that receive single intravenous injections of iGeoCas9 RNP–LNPs. In addition, iGeoCas9 RNPs complexed to biodegradable LNPs edit the disease-causing SFTPC gene in lung tissue with 19% average efficiency, representing a major improvement over genome-editing levels observed previously using viral or nonviral delivery strategies. These results show that thermostable Cas9 RNP–LNP complexes can expand the therapeutic potential of genome editing.
Integrating brainstem and cortical functional architectures
Authors: Hansen Justine Y. , Cauzzo Simone , Singh Kavita , García-Gomar María Guadalupe , Shine James M. , Bianciardi Marta , Misic Bratislav
Published: October 2024

The brainstem is a fundamental component of the central nervous system, yet it is typically excluded from in vivo human brain mapping efforts, precluding a complete understanding of how the brainstem influences cortical function. In this study, we used high-resolution 7-Tesla functional magnetic resonance imaging to derive a functional connectome encompassing cortex and 58 brainstem nuclei spanning the midbrain, pons and medulla. We identified a compact set of integrative hubs in the brainstem with widespread connectivity with cerebral cortex. Patterns of connectivity between brainstem and cerebral cortex manifest as neurophysiological oscillatory rhythms, patterns of cognitive functional specialization and the unimodal–transmodal functional hierarchy. This persistent alignment between cortical functional topographies and brainstem nuclei is shaped by the spatial arrangement of multiple neurotransmitter receptors and transporters. We replicated all findings using 3-Tesla data from the same participants. Collectively, this work demonstrates that multiple organizational features of cortical activity can be traced back to the brainstem.
Cleistocalyx nervosum var. paniala mitigates oxidative stress and inflammation induced by PM10 soluble extract in trophoblast cells via miR-146a-5p
Authors: Chaiwangyen Wittaya , Khantamat Orawan , Pintha Komsak , Kangwan Napapan , Onsa-ard Amnart , Nuntaboon Piyawan , Songkrao Angkana , Thippraphan Pilaiporn , Chaiyasit Dana , de Sousa Francisco Lázaro Pereira
Published: October 2024

Air pollution poses a significant global concern, notably impacting pregnancy outcomes through mechanisms such as DNA damage, oxidative stress, inflammation, and altered miRNA expression, all of which can adversely affect trophoblast functions. Cleistocalyx nervosum var. paniala, known for its abundance of anthocyanins with diverse biological activities including anti-mutagenic, antioxidant, and anti-inflammatory properties, is the focus of this study examining its effect on Particulate Matter 10 (PM10) soluble extract-induced trophoblast cell dysfunction via miRNA expression. The study involved the extraction of C. nervosum fruit using 70% ethanol, followed by fractionation with hexane, dichloromethane, and ethyl acetate. Subsequent testing for total phenolics, flavonoids, anthocyanins, and antioxidant activity revealed the ethyl acetate fraction (CN-EtOAcF) as possessing the highest phenolic and anthocyanin content along with potent antioxidant activity, prompting its selection for further investigation. In vitro studies on HTR-8/SVneo cells demonstrated that 5–10 µg/mL PM10 soluble extract exposure inhibited cell proliferation, migration, invasion, and induced apoptosis. However, pretreatment with 20–80 µg/mL CN-EtOAcF followed by 5 µg/mL PM10 soluble extract exposure exhibited protective effects against PM10 soluble extract-induced damage, including inflammation inhibition and intracellular ROS suppression. Notably, CN-EtOAcF down-regulated PM10-induced miR-146a-5p expression, with SOX5 identified as a potential target. Overall, CN-EtOAcF demonstrated the potential to protect against PM10-induced harm in trophoblast cells, suggesting its possible application in future therapeutic approaches.
Neutron phase filtering for separating phase- and attenuation signal in aluminium and anodic aluminium oxide
Authors: Naver Estrid Buhl , Yetik Okan , Ott Noémie , Busi Matteo , Trtik Pavel , Theil Kuhn Luise , Strobl Markus
Published: October 2024

Neutron imaging has gained significant importance as a material characterisation technique and is particularly useful to visualise hydrogenous materials in objects opaque to other radiations. Fields of application include investigations of hydrogen in metals as well as metal corrosion, thanks to the fact that neutrons can penetrate metals better than e.g. X-rays and are highly sensitive to hydrogen. However, at interfaces refraction effects sometimes obscure the attenuation image, which is used for hydrogen quantification. Refraction, a differential phase effect, diverts the neutron beam away from the interface in the image leading to intensity gain and intensity loss regions, which are superimposed to the attenuation image, thus obscuring the interface region and hindering quantitative analyses of e.g. hydrogen content in the vicinity of the interface. For corresponding effects in X-ray imaging, a phase filter approach was developed and is generally based on transport-of-intensity considerations. Here, we compare such an approach, that has been adapted to neutrons, with another simulation-based assessment using the ray-tracing software McStas. The latter appears superior and promising for future extensions which enable fitting forward models via simulations in order to separate phase and attenuation effects and thus pave the way for overcoming quantitative limitations at refracting interfaces.
Structure of a step II catalytically activated spliceosome from Chlamydomonas reinhardtii
Authors: Lu Yichen , Liang Ke , Zhan Xiechao
Published: October 2024

Pre-mRNA splicing, a fundamental step in eukaryotic gene expression, is executed by the spliceosomes. While there is extensive knowledge of the composition and structure of spliceosomes in yeasts and humans, the structural diversity of spliceosomes in non-canonical organisms remains unclear. Here, we present a cryo-EM structure of a step II catalytically activated spliceosome (C* complex) derived from the unicellular green alga Chlamydomonas reinhardtii at 2.6 Å resolution. This Chlamydomonas C* complex comprises 29 proteins and four RNA elements, creating a dynamic assembly that shares a similar overall architecture with yeast and human counterparts but also has unique features of its own. Distinctive structural characteristics include variations in protein compositions as well as some noteworthy RNA features. The splicing factor Prp17, with four fragments and a WD40 domain, is engaged in intricate interactions with multiple protein and RNA components. The structural elucidation of Chlamydomonas C* complex provides insights into the molecular mechanism of RNA splicing in plants and understanding splicing evolution in eukaryotes.
O-GalNAc Glycomics by LC–MS/MS
Authors: Khoo Kay-Hooi
Published: October 2024

Mass spectrometry (MS) analysis of O-GalNAc glycans faces common glycomic challenges and presents unique considerations. Among the structural problems is the need to define the respective glycan chains and glycotopes on either the 6- or 3-arm of a branched core or those of an internal Gal attached to the reducing-end GalNAc. When considered together with the different positions of sialylation, fucosylation, and sulfation, the extent of isomeric variations can be too overwhelming to be resolved by any single analytical technique at the level of sensitivity and throughput demanded by current glycomics. Offline matrix-assisted laser desorption/ionization (MALDI)-based MS analysis is rather straightforward but ultimately limited by the quantitative identification of the isomeric constituents, particularly those of low abundance. Coupling to online liquid chromatography, either on a porous graphitized carbon column or on a reverse-phase C18 column for native and permethylated glycans, respectively, together with an MS2-product-dependent MS3 data acquisition workflow significantly increases the analytical depth. A good knowledge of the fragmentation pattern and diagnostic ions produced by different MS modes is indispensable to unambiguous structural assignments before any database-dependent, software-enabled data analysis can be routinely and reliably used. These technical aspects are highlighted and discussed at length here.
Reconstructing Glycosylation: How to Rebuild Glycoproteins by Molecular Dynamics-generated 3D Libraries
Authors: Fogarty Carl A. , Ives Callum M , Singh Ojas , Fadda Elisa
Published: October 2024

The 3D structural information deposited in public repositories, such as the RCSB Protein Data Bank (www.rcsb.org) or the AlphaFold Protein Structure Database (https://alphafold.ebi.ac.uk/), often covers only the protein component of complex biomolecular systems, while features of essential and common post-translational modifications are completely or partially missing. In this chapter, we discuss the strengths and weaknesses of reconstructing glycoproteins using widely available de novo carbohydrate builders and an alternative approach developed in our laboratory, where glycan 3D structures selected from extensive sampling through molecular dynamics are covalently linked to the glycoprotein of interest. We also show how this approach is unique in its potential to capture the diverse degrees of flexibility characteristic of the structure of complex carbohydrates, where 3D ensembles are not random distributions of structures but are strictly regulated by sequence and branching.
Plasma Chemistry for Power-to-X
Authors: Bogaerts A.
Published: October 2024

Plasma is an ionized gas, consisting of neutral molecules, but also ions, electrons, radicals and excited species, which can all collide with each other. This makes plasma a reactive chemical cocktail, allowing chemical reactions to proceed under ambient conditions. Plasma is created by applying electricity to a gas and can easily be switched on/off, so it is very suitable in combination with fluctuating renewable electricity (RE) for the conversion of small (and stable) molecules, like CO2, N2 and CH4, into value-added compounds (i.e., fuels, chemicals). In this chapter, following a brief introduction to plasma, the different plasma reactors used for power-to-X applications are outlined, as well as a discussion of the underlying mechanisms that explain their performance. Subsequently, the state-of-the-art for plasma-based conversion is discussed with respect to CO2 into CO and O2, CH4 into H2 and higher hydrocarbons, CO2 and CH4 into syngas, and N2 into NH3 and NOx for fertiliser applications. Finally, some future research directions needed to bring this emerging technology to commercial application are proposed.
Electrochemical CO2 Activation and Reactor Design
Authors: Endrődi B. , Janáky C.
Published: October 2024

Conversion of carbon dioxide to high value products became one of the most intensively studied fields in electrochemistry in the past decades. A rapid development has been witnessed in understanding the reaction mechanism(s), designing and testing catalysts and developing efficient CO2 electrolyzers. Some research projects already started to turn into technologies, which impatiently await industrial implementation. The most important process metrics (e.g., reaction rate, selectivity) are indeed approaching the threshold for economic industrial application, but some bottlenecks remain to be solved. The most important of these are maintaining long-term stability and scale-up of the electrolyzer cells/stacks and systems. This necessitates understanding the fundamentals of the reaction and the operation of the different electrolyzer cells and all their components, and exploring different failure mechanisms. In this chapter, we aim to present the recent developments in the field by giving a birds-eye view to the reader and to point towards the most important articles where more detailed information is available.
Surface-enhanced Raman spectroscopy with single cell manipulation by microfluidic dielectrophoresis
Authors: Ko Kwanhwi , Yoo Hajun , Han Sangheon , Chang Won Seok , Kim Donghyun
Published: October 2024

The combination of dielectrophoresis and surface-enhanced Raman spectroscopy provides an effective method for analyzing the Raman characteristics and the dielectrophoretic behavior of polystyrene beads and U-87MG cells in a microfluidic environment.
A rapid method for assessing seed drought resistance using integrated ID-BOA-SVM
Authors: Wu Qiaohan , Zhao Xiaoyu , Zhou Biqing , Liao Jiangcheng , Luo Qian , Zhao Yue , Cai Lijing , Zhai Zhe , Tong Liang
Published: October 2024

This study investigates the application of near-infrared spectroscopy (NIR) for assessing drought resistance in seeds, aiming to offer a rapid and efficient method suitable for large-scale primary screening.
Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties
Authors: Kenguva Gowtham , Rekha Rout Smruti , Shaikh Tabrez R. , Baidya Debjani , Shelke Nikita , Sanphui Palash , Dandela Rambabu
Published: October 2024

Ketanserin (KTS), a BCS class II drug with low solubility, was paired with acidic coformers (maleic, fumaric, adipic, and sulfamic acids) to create stable salts through wet granulation. XRD, DSC, TGA, UV, and Hirshfeld analysis confirmed that these salts enhanced solubility.
Oligomers of diphenylalanine examined using cold ion spectroscopy and neural network-based conformational search
Authors: Kopysov Vladimir , Yamaletdinov Ruslan , Boyarkin Oleg V.
Published: October 2024

Cold ion spectroscopy coupled with mass spectrometry and quantum chemical calculations enhanced by neural network search reveal 3D structures of Phe2 oligomers.
Modulation in the charge transfer characteristics of flexible bis-benzimidazole probes: independent sensing mechanisms for Hg2+ and F−
Authors: Pise Suraj , Dey Nilanjan
Published: October 2024

Flexible bis-benzimidazole-based V-shaped amphiphilic probe shows dual sensing response towards Hg2+ and F− ions in aqueous medium.
Structure modification and luminescence regulation in new violet light excitable Sr(2−y)BayY4La4(SiO4)6O2:xEu2+ phosphors via cation substitution
Authors: Zhang Jie , Dong Langping , Wang Feng , Hou Jingshan , Fang Yongzheng
Published: October 2024

A series of violet light excitable Sr(2−y)BayY4La4(SiO4)6O2:xEu2+ phosphors with tunable luminescence for high-quality white LEDs was developed through cation regulation.
Coinage metal(i) clusters supported by a 1,10-phenanthroline-phosphine: orange-to-NIR phosphorescence, metallophilic interactions and enhanced cytotoxicity
Authors: Artem'ev Alexander V. , Davydova Maria P. , Klyushova Lyubov S. , Sadykov Evgeniy H. , Rakhmanova Mariana I. , Sukhikh Taisiya S.
Published: October 2024

Based on 2-(diphenylphosphino)-1,10-phenanthroline, a series of small metal(i) clusters, exhibiting orange to NIR phosphorescence and strong dose-dependent cytotoxicity.
Market optimization and technoeconomic analysis of hydrogen-electricity coproduction systems
Authors: Laky Daniel J. , Cortes Nicole P. , Eslick John C. , Noring Alexander A. , Susarla Naresh , Okoli Chinedu , Zamarripa Miguel A. , Allan Douglas A. , Brewer John H. , Iyengar Arun K. S. , Wang Maojian , Burgard Anthony P. , Miller David C. , Dowling Alexander W.
Published: October 2024

We present an optimization framework to analyze emerging power systems technologies that coproduce power and alternative fuels. Emerging solid oxide-based systems have the potential to enable a reliable, efficient transition to cleaner energy.
Three-step thermodynamic vs. two-step kinetics-limited sulfur reactions in all-solid-state sodium batteries
Authors: Ji Tongtai , Tu Qingsong , Zhao Yang , Wierzbicki Dominik , Plisson Vincent , Wang Ying , Wang Jiwei , Burch Kenneth S. , Yang Yong , Zhu Hongli
Published: October 2024

This study unveils the intrinsic three-step thermodynamic and the two-step kinetics-limited pathways in all-solid-state sodium–sulfur batteries, providing crucial insights into sulfur reaction mechanisms for high-performance energy storage solutions.
High Zn(002)-preferential orientation enabled by a proton additive for dendrite-free zinc anodes
Authors: Li Yating , Ma Xiaohui , Zhang Xi , Zhang Fengyi , Wang Qiong , Guo Qiang , Liu Jinlong , Wang Yonggang , Huang Jianhang , Xia Yongyao
Published: October 2024

A zinc anode with high Zn(002)-preferential orientation can be achieved using a universal proton additive, which has been shown to effectively suppress dendrite formation in aqueous zinc batteries.
Advancing high-efficiency, stretchable organic solar cells: novel liquid metal electrode architecture
Authors: Lee Seungbok , Oh Sungjun , Han Seungseok , Lee Dongchan , Lee Jihyung , Kim Yonghwi , Jeong Hoe-Yeon , Lee Jin-Woo , Lee Min-Ho , Ying Wu Bin , Jeong Seonju , Lee Seungjae , Kim Junho , Kim Yun Hoo , Kim Bumjoon J. , Jeon Eun-chae , Kim Taek-Soo , Cho Shinuk , Lee Jung-Yong
Published: October 2024

Highly efficient and stretchable organic solar cells were developed with a novel liquid metal top electrode. Metallic interlayers enabled its fabrication via thermal evaporation, achieving 14.6% PCE and 70% PCE retention under 63% strain.
Engineering MXenes for electrochemical environmental pollutant sensing
Authors: Afzal Muhammad Hussnain , Pervaiz Wajeeha , Asif Muhammad , Huang Zhuo , Dai Jiawei , Xu You , Zhu Jiannan , Zhang Tiansui , Rao Zhuang , Li Guangfang , Wang Zhengyun , Liu Hongfang
Published: October 2024

This review comprehensively summarizes and discusses the recent advances in MXene-based electrochemical environmental pollutant sensing by integrating the sensing behavior of MXenes, modular fabrication methods and selectivity improvement strategies.
Augmentation of Pd-catalysed oxidative C–H/C–H carbonylation through alternating current electrosynthesis
Authors: Li Haoran , Peng Jiaqi , Zeng Li , Zhou Linpu , Shabbir Muhammad , Xiao Feiran , Yuan Jiaxin , Yi Hong , Lei Aiwen
Published: October 2024

Unsymmetrical-waveform AC electrolysis facilitates Pd-catalysed oxidative C–H/C–H carbonylation. This methodology highlights the substantial benefits conferred by Pd-catalysed conversions in comparison to traditional DC electrolysis.
Synthesis and DNA cleavage studies of rationally designed metallopeptides from N-salicyl-AA-picolamide (SAP) and Cu(ii) ions
Authors: Panda Subhashree S. , Kumari Supriya , Dixit Manjusha , Sharma Nagendra K.
Published: October 2024

N-Salicylate amino acid picolamide (SAP) peptides form stable complex with Cu(ii) that cleaves supercoiled DNA into circular DNA in presence of ascorbic acid/H2O2.
Aptamer-based biotherapeutic conjugate for shear responsive release of Von Willebrand factor A1 domain
Authors: Ismail Esraa , Liu Yi , Wang Yi , Yazdanparast Tafti Sajedehalsadat , Zhang X. Frank , Cheng Xuanhong
Published: October 2024

(A). Optical tweezers characterized the mechanical properties of the Single-MOlecule-based material REsponsive to Shear (SMORES). (B) Flow experiments demonstrated the release of therapeutic cargo at a threshold flow rate.
Grain alignment in hexaferrite permanent magnets by compaction at room and elevated temperatures
Authors: Valentin Jacob L. , Gjørup Frederik H. , Knudsen Cecilie G. , Christensen Mogens
Published: October 2024

Shape-controlled precursors enable grain alignment without using an applied magnetic field in the permanent magnet material strontium hexaferrite.
Triflic acid-promoted post-Ugi condensation for the assembly of 2,6-diarylmorpholin-3-ones
Authors: Amire Niyaz , Almagambetova Kamila M. , Turlykul Assel , Taishybay Aidyn , Nuroldayeva Gulzat , Belyaev Andrey , Peshkov Anatoly A. , Utepbergenov Darkhan , Peshkov Vsevolod A.
Published: October 2024

A two-step one-pot synthesis of 2,6-diarylmorpholin-3-ones involving Ugi reaction followed by a triflic acid-promoted intramolecular condensation accompanied by a loss of the isocyanide-originated amide moiety is described.
Reversible encapsulation and release of fullerenes using calix[n]phenoxazines
Authors: Wang Lu , Li Yunxiao , Qu Xin , Ma Da , Iqbal M. Zubair , Kong Xiangdong , Mao Lijun
Published: October 2024

Calix[n]phenoxazines are synthesized and used for the reversible encapsulation and release of fullerenes.
Intercluster charge ordering in monoclinic and triclinic Ba–Mo-based hollandite phases
Authors: Elbakry Eslam M. , Allred Jared M.
Published: October 2024

Reproducible synthesis of the three distinct crystal types of Mo-based hollandites. Metal–metal bond orders correlate to electron count per metal.
Drop deformation in a planar elongational flow: impact of surfactant dynamics
Authors: Wailliez Julian , Regazzi Paul , Salonen Anniina , Chen Paul G. , Jaeger Marc , Leonetti Marc , Rio Emmanuelle
Published: October 2024

We measure the deformation of a drop under an extensional flow. The drop is less deformed than for a pure liquid because of the depletion of surfactants at the tips, which we attribute to the adsorption/desorption dynamics of the surfactants.
Hydrophobic fouling-resistant electrospun nanofiber membranes from poly(vinylidene fluoride)/polyampholyte blends
Authors: Jayasekara Anuja S. , Mazzaferro Luca , O’Hara Ryan , Asatekin Ayse , Cebe Peggy
Published: October 2024

This study reports the fabrication of non-woven fibrous membranes from electrospinning blended solutions of PVDF with a random polyampholyte amphiphilic copolymer (r-PAC) in N,N-dimethylformamide and methanol.
Confined bicontinuous microemulsions: nanoscale dynamics of the surfactant film
Authors: Dahl Margarethe , Holderer Olaf , Haverkamp René , Hoffmann Ingo , Wood Kathleen , Hübner Jessica , Hellweg Thomas , Wellert Stefan
Published: October 2024

A confined bicontinuous C10E4–D2O–n-octane microemulsion is studied using neutron spin echo spectroscopy (NSE). The pore size of the confining matrices determines the dynamics of the confined bicontinuous microemulsion.
Cell shape and orientation control galvanotactic accuracy
Authors: Nwogbaga Ifunanya , Camley Brian A.
Published: October 2024

We study the physical factors that control the accuracy with which elongated cells can sense the direction of an electric field, exploring whether cells are more accurate sensors when oriented parallel to the field or perpendicular to it.
Recombinant silk protein condensates show widely different properties depending on the sample background
Authors: Tersteegen Jennifer , Tunn Isabell , Sand Ma , Välisalmi Teemu , Malkamäki Maaria , Gandier Julie-Anne , Beaune Grégory , Sanz-Velasco Alba , Anaya-Plaza Eduardo , Linder Markus B.
Published: October 2024

Background molecules such as DNA affect the formation and properties of recombinant spider silk protein condensates.
Selective assembly and insertion of ubiquicidin antimicrobial peptide in lipid monolayers
Authors: Raghav Sonam , Hitaishi Prashant , Giri Rajendra P. , Mukherjee Archana , Sharma Veerendra K. , Ghosh Sajal K.
Published: October 2024

The selective assembly of ubiquicidin antimicrobial peptide near a lipid monolayer was explored in this article aiming to understand the role of available lipids in a bacterial membrane.
Bioinspired peptide/polyamino acid assemblies as quorum sensing inhibitors for the treatment of bacterial infections
Authors: Jiang Yanan , Meng Fanying , Ge Zhenghong , Zhou Yuxiao , Fan Zhen , Du Jianzhong
Published: October 2024

Presented in this review are recent advancements in bioinspired peptide and polyamino acid assemblies as inhibitors of quorum sensing (Agr, Com, PlcR, Rgg, and NPrR) in diverse microbial communities.
A Comparison of 226- and 1000-Hz Probe Tone Tympanometry With Myringotomy Findings in Infants
Authors: Gellrich Donata , Eder Katharina , Echternach Matthias , Gröger Moritz , Huber Patrick
Published: October 2024

Purpose:

This study aimed to verify the diagnostic value of tympanometry with 226- and 1000-Hz probe tones in infants by comparing tympanometry results with the gold standard of the middle ear state assessed by myringotomy. Furthermore, clinically useful predictors for false peaked tympanograms despite the presence of middle ear fluid should be identified.

Method:

Pre-operative 226- and 1000-Hz tympanograms were retrospectively compared with intraoperative findings of the tympanic cavity after myringotomy in 111 infants (217 ears) aged ≤ 12 months. In addition to the shape of tympanograms, demographic and clinical characteristics, the results of other audiometric measurements, and the viscosity of middle ear fluid, if present, were evaluated in several subgroups.

Results:

The sensitivity and specificity of 1000-Hz tympanometry for middle ear effusion (MEE) detection were 97%–98% and 71%–84%, respectively, whereas standard tympanometry with a 226-Hz probe tone achieved a poor sensitivity of 43%–61% and a specificity of 81%–97%. Younger age, low viscosity of the middle ear fluid, and female sex were associated with an increased risk of false peaked 226-Hz tympanograms despite MEE. Furthermore, larger equivalent outer ear canal volumes were linked to false peaked 226-Hz tympanograms.

Conclusions:

The comparison of myringotomy findings and 226- and 1000-Hz tympanometry confirms the superiority of high-frequency tympanometry in infants younger than 12 months. Although this study identified some vague predictors of potentially false peaked 226-Hz tympanograms, the assessment of the middle ear state by 226-Hz tympanometry remains unreliable in young infants.
Simulation-Based Approaches for Training Communication and Counseling Skills in Clinical Education in Audiology: A Scoping Review
Authors: Kanji Amisha , Watermeyer Jennifer
Published: October 2024

Purpose:

This review article aimed to obtain an understanding of the positive outcomes and challenges associated with the use of simulation-based approaches for teaching communication and counseling skills in clinical education in audiology as described in the literature.

Method:

A scoping review was conducted during October 2023 to identify published journal articles that described how simulation-based approaches were used for teaching or assessing communication and/or counseling skills among audiology students. Database searches yielded 208 articles initially. Following abstract screening and full-text review, 17 articles were included for analysis.

Results:

Most studies focused on using simulation-based approaches for teaching, and there was a stronger focus on pediatric audiology. Most studies involved the use of standardized patients, with data collected via quantitative approaches using rating scales and surveys. Simulation-based approaches can offer positive learning experiences and practice opportunities for students acquiring communication and counseling skills. However, the benefits of simulation over traditional methods are unclear. Students may struggle to integrate technical and communication skills in simulated learning experiences.

Conclusions:

Engaging with simulation-based approaches may provide important practice opportunities, but these methods are not sufficient to ensure acquisition of communication and counseling skills. More qualitative studies are needed to understand the nuances of if and how students might acquire such skills via simulated learning experiences. We offer some suggestions for improvement of future studies on this topic.
Active learning for efficient data selection in radio‐signal‐based positioning via deep learning
Authors: Corlay Vincent , Courcoux‐Caro Milan
Published: October 2024

The problem of user equipment positioning based on radio signals is considered via deep learning. As in most supervised‐learning tasks, a critical aspect is the availability of a relevant dataset to train a model. However, in a cellular network, the data‐collection step may induce a high communication overhead. As a result, to reduce the required size of the dataset, it may be interesting to carefully choose the positions to be labelled and to be used in the training. Therefore, an active learning approach for efficient data collection is proposed. It is first shown that significant gains (both in terms of positioning accuracy and size of the required dataset) can be obtained for the considered positioning problem using a genie. This validates the interest of active learning for positioning. Then, a practical method is proposed to approximate this genie.
Multi‐objective and multi‐stage low‐carbon planning of park integrated energy system considering random outages from superior power grid
Authors: Jiang Xunpu , Bao Zhejing , Chen Jianwei , Yu Miao
Published: October 2024

This article proposes a multi‐objective and multi‐stage low‐carbon planning approach for park integrated energy systems (PIES) considering the impacts of random outages from the superior electrical grid. This approach incorporates optimal multi‐stage construction sequencing and stepped carbon emission trading to leverage the economic and low‐carbon benefits of long‐term planning. First, the islanding modes of PIES are described using four random variables: island type, duration, start time, and typical day of occurrence, from which islanding scenarios are generated based on scenario tree. Next, a multi‐objective planning model that considers both economics and reliability is constructed, with the objectives of minimizing the total lifecycle planning cost and the expected economic loss during islanding. The improved Normalized Normal Constraint (NNC) method is proposed to solve the multi‐objective planning problem. Then, the fuzzy membership function is used to determine the optimal compromise solution, resulting in a planning scheme that balances economic efficiency and supply reliability. Finally, simulations indicate that, at the cost of a slight increase in planning expenses, the proposed model significantly reduces the loss costs under islanding modes compared with single‐objective economic‐focused planning. Additionally, the improved NNC method can achieve a more uniform Pareto frontier compared with the conventional NNC method.
The masses of open star clusters and their tidal tails and the stellar initial mass function
Authors: Wirth Henriette , Dinnbier František , Kroupa Pavel , Šubr Ladislav
Published: October 2024

Context. Unresolved binaries have a strong influence on the observed parameters of stellar clusters (SCs).

Aims. We quantify this influence and compute the resulting mass underestimates and stellar mass function (MF).

Methods. N-body simulations of realistic SCs were used to investigate the evolution of the binary population in a SC and its tidal tails. Together with an empirically gauged stellar mass-luminosity relation, the results were then used to determine how the presence of binaries changes the photometric mass and MF of the SC and its tails as deduced from observations.

Results. Tail 1 (T1), which is the tidal tail caused by gas expulsion, contains a larger fraction of binaries than both the SC and Tail 2 (T2), which forms after gas expulsion. Additionally, T1 has a larger velocity dispersion. Using the luminosity of an unresolved binary, an observer would underestimate its mass. This bias sensitively depends on the companion masses due to the structure of the stellar mass-luminosity relation. Combining the effect of all binaries in the simulation, the total photometric mass of the SC is underestimated by 15%. Dark objects (black holes and neutron stars) increase the difference between the real and observed mass of the SC further. For both the SC and the tails, the observed power-law index of the MF between a stellar mass of 0.3 and 0.7 M⊙ is smaller by up to 0.2 than the real one, the real initial mass function (IMF) being steeper by this amount. This difference is larger for stars with a larger velocity dispersion or binary fraction.

Conclusions. Since the stars formed in SCs are the progenitors of the Galactic field stars, this work suggests that the binary fractions of different populations of stars in the Galactic disc will differ as a function of the velocity dispersion. However, the direction of this correlation is currently unclear, and a complete population synthesis will be needed to investigate this effect. Variations in the binary fractions of different clusters can lead to perceived variations of the deduced stellar MFs.
Magnetohydrodynamic simulations of A-type stars: Long-term evolution of core dynamo cycles
Authors: Hidalgo J. P. , Käpylä P. J. , Schleicher D. R. G. , Ortiz-Rodríguez C. A. , Navarrete F. H.
Published: October 2024

Context. Early-type stars have convective cores due to a steep temperature gradient produced by the CNO cycle. These cores can host dynamos and the generated magnetic fields may be relevant in explaining the magnetism observed in Ap/Bp stars.

Aims. Our main objective is to characterise the convective core dynamos and differential rotation. We aim to carry out the first quantitative analysis of the relation between magnetic activity cycle and rotation period.

Methods. We used numerical 3D star-in-a-box simulations of a 2.2 M⊙ A-type star with a convective core of roughly 20% of the stellar radius surrounded by a radiative envelope. We explored rotation rates from 8 to 20 days and used two models of the whole star, along with an additional zoom set where 50% of the radius was retained.

Results. The simulations produce hemispheric core dynamos with cycles and typical magnetic field strengths around 60 kG. However, only a very small fraction of the magnetic energy is able to reach the surface. The cores have solar-like differential rotation and a substantial part of the radiative envelope has a quasi-rigid rotation. In the most rapidly rotating cases, the magnetic energy in the core is roughly 40% of the kinetic energy. Finally, we find that the magnetic cycle period, Pcyc, increases with decreasing the rotation period, Prot, which has also been observed in many simulations of solar-type stars.

Conclusions. Our simulations indicate that a strong hemispherical core dynamo arises routinely, but that it is not enough the explain the surface magnetism of Ap/Bp stars. Nevertheless, since the core dynamo produces dynamically relevant magnetic fields, it should not be neglected even when other mechanisms are being explored.
Optimised use of interferometry, spectroscopy, and stellar atmosphere models for determining the fundamental parameters of stars
Authors: Ebrahimkutty N. , Gent M. R. , Mourard D. , Domiciano de Souza A. , Bergemann M. , Morel T. , Morello G. , Nardetto N. , Plez B.
Published: October 2024

Context. Thanks to recent progress in the field of optical interferometry, instrument sensitivities have now reached the level achieved in the domain of new space missions dedicated to exoplanet and stellar studies. Combining interferometry with other observational approaches enables the determination of stellar parameters and helps improve our understanding of stellar physics.

Aims. In this paper, we aim to demonstrate a new way of using stellar atmosphere models for a joint interpretation of spectroscopic and interferometric observations.

Methods. Starting from a discrete grid of one-dimensional (1D) stellar atmosphere models, we developed a training algorithm, based on an artificial neural network, capable of estimating the spectrum and intensity profile of a star over a range of wavelengths and viewing angles. A minimisation algorithm based on the trained function allowed for the simultaneous fitting of the observational spectrum and interferometric complex visibilities. As a result, coherent and precise stellar parameters can be extracted.

Results. We show the ability of the trained function to match the modelled intensity profiles of stars in the effective temperature range of 4500–7000 K and surface gravity range of 3 to 5 dex, with a relative precision to the model that is better than 0.05%. Using simulated interferometric data and actual spectroscopic measurements, we demonstrated the performance of our algorithm on a sample of five benchmark stars. Using this method, we achieved an accuracy within 0.5% for the angular diameter, radius, and surface gravity, and within 20 K for the effective temperature.

Conclusions. This paper demonstrates a new method of using interferometric data combined with spectroscopic observations. This approach offers an improved determination of the radius, effective temperature, and surface gravity of stars.
Distance and stellar parameter estimations of solar-like stars from the LAMOST spectroscopic survey
Authors: Shen Yue-Yue , Luo A-Li
Published: October 2024

Context. The Gaia mission has opened up a new era for the precise astrometry of stars, thus revolutionizing our understanding of the Milky Way. However, beyond a few kiloparseconds from the Sun, parallax measurements become less reliable, and even within 2 kpc, there still exist stars with large uncertainties.

Aims. Our aim was to determine the distance and stellar parameters of 521 424 solar-like stars from LAMOST DR9; these stars lacked precise distance measurements (uncertainties higher than 20% or even without any distance estimations) when checked with Gaia.

Methods. We proposed a convolutional neural network (CNN) model to predict the absolute magnitudes, colors, and stellar parameters (Teff, log ɡ, and [Fe/H]) directly from low-resolution spectra. For spectra with signal-to-noise ratios at ɡ band (S/Ng) greater than 10, the model achieves a precision of 85 K for Teff, 0.07 dex for log ɡ, 0.06 dex for [Fe/H], 0.25 mag for MG, and 0.03 mag for (BP – RP)0. The estimated distances have a median fractional error of 4% with a standard deviation of 8%.

Results. We applied the trained CNN model to 521 424 solar-like stars to derive the distance and stellar parameters. Compared with other distance estimation studies and spectroscopic surveys, the results show good consistency. Additionally, we investigated the metallicity gradients of the Milky Way from a subsample, and find a radial gradient ranging from −0.05 < Δ[Fe/H]/ΔR < 0.0 dex kpc−1 and a vertical gradient ranging from −0.26 < Δ[Fe/H]/ΔZ < −0.07 dex kpc−1.

Conclusions. We conclude that our method is effective in estimating distances and stellar parameters for solar-like stars with limited astrometric data. Our measurements are reliable for Galactic structure studies and hopefully will be useful for exoplanet researches.
Imaging the innermost circumstellar environment of the red supergiant WOH G64 in the Large Magellanic Cloud
Authors: Ohnaka K. , Hofmann K.-H. , Weigelt G. , van Loon J. Th. , Schertl D. , Goldman S. R.
Published: October 2024

Context. Significant mass loss in the red supergiant (RSG) phase has great influence on the evolution of massive stars and their final fate as supernovae.

Aims. We present near-infrared interferometric imaging of the circumstellar environment of the dust-enshrouded RSG WOH G64 in the Large Magellanic Cloud.

Methods. WOH G64 was observed with the GRAVITY instrument at ESO’s Very Large Telescope Interferometer (VLTI) at 2.0–2.45 μm. We succeeded in imaging the innermost circumstellar environment of WOH G64 – the first interferometric imaging of an RSG outside the Milky Way.

Results. The reconstructed image reveals elongated compact emission with a semimajor and semiminor axis of ∼2 and ∼1.5 mas (∼13 and 9 R⋆), respectively. The GRAVITY data show that the stellar flux contribution at 2.2 μm at the time of our observations in 2020 is much lower than predicted by the optically and geometrically thick dust torus model based on the VLTI/MIDI data taken in 2005 and 2007. We found a significant change in the near-infrared spectrum of WOH G64: while the (spectro)photometric data taken at 1–2.5 μm before 2003 show the spectrum of the central RSG with H2O absorption, the spectra and JHK′ photometric data taken after 2016 are characterized by a monotonically rising continuum with very weak signatures of H2O. This spectral change likely took place between December 2009 and 2016. On the other hand, the mid-infrared spectrum obtained in 2022 with VLT/VISIR agrees well with the spectra obtained before 2007.

Conclusions. The compact emission imaged with GRAVITY and the near-infrared spectral change suggest the formation of hot new dust close to the star, which gives rise to the monotonically rising near-infrared continuum and the high obscuration of the central star. The elongation of the emission may be due to the presence of a bipolar outflow or effects of an unseen companion.
X-ray spectropolarimetric characterization of GX 340+0 in the horizontal branch: A highly inclined source?
Authors: La Monaca Fabio , Di Marco Alessandro , Ludlam Renee M. , Bobrikova Anna , Poutanen Juri , Li Songwei , Xie Fei
Published: October 2024

We report the first detection of X-ray polarization in the horizontal branch for GX 340+0 as obtained by the Imaging X-ray Polarimetry Explorer (IXPE). A polarization degree of 4.3% ± 0.4% at a confidence level of 68% is obtained. This value agrees with the previous polarization measurements of Z-sources in the horizontal branch. The spectropolarimetric analysis, performed using a broadband spectral model obtained by NICER and NuSTAR quasi-simultaneous observations, allowed us to constrain the polarization for the soft and hard spectral components that are typical of these sources. The polarization angle for the two components differs by ∼40°. This result can be explained by a misalignment of the NS rotation axis with respect to the accretion disk axis. We compared the results with the polarization that is expected in different models. Theoretical expectations for the polarization of the disk and the Comptonized components favor a higher orbital inclination for GX 340+0 than 60°, as expected for Cyg-like sources. This is in contrast with the results we report for the reflection component based on the broadband spectrum.