bluuebunny/crossref_metadata_2025 huggingface dataset:
Does it matter that an ally is democratic during crises? Public diplomacy and attitudes towards international allies in times of crisis
Authors: Coticchia Fabrizio , Di Giulio Marco , Masullo Juan , Ruggeri Andrea
Published: October 2024

Can public diplomacy in times of crisis shape citizens’ attitudes towards international politics? Using a survey experiment in Italy, we evaluated whether information cues about public diplomacy efforts by the United States and China to assist the country in dealing with the COVID-19 emergency shifted the importance citizens attached to Italy’s international allies being democracies. We found that citizens who receive positive cues about USA efforts to assist Italy report a stronger preference for Italy interacting with democracies. At the same time, when they received positive cues about China’s efforts to assist Italy, they discounted the importance attached to international allies being democracies. We further found that these effects are conditional on the participants’ support for democracy at home. We argue that these findings are consistent with a cognitive dissonance framework where citizens update their attitudes to decrease dissonant cognitions when they receive information that challenges prior beliefs or expectations.
Latin America: Weak academic freedom within strong university autonomy
Authors: Bernasconi Andrés
Published: October 2024

In Latin America, the notions of academic freedom or the freedom of science have not had the overarching influence in defining the prerogatives of scholars and the university that we see them exerting over the experiences of Western Europe and the Anglosphere. The governing notion, from whence all other freedoms emerge, is that of university autonomy. In Latin America, university autonomy evolved over the twentieth century as a protection of the university against the encroachment of governments – often authoritarian or outright dictatorial – so they could carry out their missions as they defined them. In Latin America, the locus of what in Europe is understood as scientific freedom is vested in the universities, not in the professoriate. It is assumed that free universities will foster an environment of academic freedom within. The contemporary contestations of university autonomy in Latin America fit squarely into the liberal script, as they seek to make universities more responsive to policy goals in the areas of higher education quality and accountability, efficiency and productivity, expansion of public or private provision, access and equity. Often, universities and their associations have raised autonomy as an objection to these policy agendas.
A New Coupled Biogeochemical Modeling Approach Provides Accurate Predictions of Methane and Carbon Dioxide Fluxes Across Diverse Tidal Wetlands
Authors: Oikawa P. Y. , Sihi D. , Forbrich I. , Fluet‐Chouinard E. , Najarro M. , Thomas O. , Shahan J. , Arias‐Ortiz A. , Russell S. , Knox S. H. , McNicol G. , Wolfe J. , Windham‐Myers L. , Stuart‐Haentjens E. , Bridgham S. D. , Needelman B. , Vargas R. , Schäfer K. , Ward E. J. , Megonigal P. , Holmquist J.
Published: October 2024

Tidal wetlands provide valuable ecosystem services, including storing large amounts of carbon. However, the net exchanges of carbon dioxide (CO2) and methane (CH4) in tidal wetlands are highly uncertain. While several biogeochemical models can operate in tidal wetlands, they have yet to be parameterized and validated against high‐frequency, ecosystem‐scale CO2 and CH4 flux measurements across diverse sites. We paired the Cohort Marsh Equilibrium Model (CMEM) with a version of the PEPRMT model called PEPRMT‐Tidal, which considers the effects of water table height, sulfate, and nitrate availability on CO2 and CH4 emissions. Using a model‐data fusion approach, we parameterized the model with three sites and validated it with two independent sites, with representation from the three marine coasts of North America. Gross primary productivity (GPP) and ecosystem respiration (Reco) modules explained, on average, 73% of the variation in CO2 exchange with low model error (normalized root mean square error (nRMSE) <1). The CH4 module also explained the majority of variance in CH4 emissions in validation sites (R2 = 0.54; nRMSE = 1.15). The PEPRMT‐Tidal‐CMEM model coupling is a key advance toward constraining estimates of greenhouse gas emissions across diverse North American tidal wetlands. Further analyses of model error and case studies during changing salinity conditions guide future modeling efforts regarding four main processes: (a) the influence of salinity and nitrate on GPP, (b) the influence of laterally transported dissolved inorganic C on Reco, (c) heterogeneous sulfate availability and methylotrophic methanogenesis impacts on surface CH4 emissions, and (d) CH4 responses to non‐periodic changes in salinity.
Reconciling Top‐Down and Bottom‐Up Estimates of Ecosystem Respiration in a Mature Eucalypt Forest
Authors: Noh N. J. , Renchon A. A. , Knauer J. , Haverd V. , Li J. , Griebel A. , Barton C. V. M. , Yang J. , Sihi D. , Arndt S. K. , Davidson E. A. , Tjoelker M. G. , Pendall E.
Published: October 2024

Ecosystem respiration (Reco) arises from interacting autotrophic and heterotrophic processes constrained by distinct drivers. Here, we evaluated up‐scaling of observed components of Reco in a mature eucalypt forest in southeast Australia and assessed whether a land surface model adequately represented all the fluxes and their seasonal temperature responses. We measured respiration from soil (Rsoil), heterotrophic soil microbes (Rh), roots (Rroot), and stems (Rstem) in 2018–2019. Reco and its components were simulated using the CABLE–POP (Community Atmosphere‐Biosphere Land Exchange–Population Orders Physiology) land surface model, constrained by eddy covariance and chamber measurements and enabled with a newly implemented Dual Arrhenius and Michaelis‐Menten (DAMM) module for soil organic matter decomposition. Eddy‐covariance based Reco (Reco.eddy, 1,439 g C m−2 y−1) was slightly higher than the sum of the respiration components (Reco.sum, 1,295 g C m−2 y−1) and simulated Reco (1,297 g C m−2 y−1). The largest mean contribution to Reco was from Rsoil (64%) across seasons. The measured contributions of Rh (49%), Rroot (15%), and Rstem (22%) to Reco.sum were very close to model outputs of 46%, 11%, and 22%, respectively. The modeled Rh was highly correlated with measured Rh (R2 = 0.66, RMSE = 0.61), empirically validating the DAMM module. The apparent temperature sensitivities (Q10) of Reco were 2.22 for Reco.sum, 2.15 for Reco.eddy, and 1.57 for CABLE‐POP. This research demonstrated that bottom‐up respiration component measurements can be successfully scaled to eddy covariance‐based Reco and help to better constrain the magnitude of individual respiration components as well as their temperature sensitivities in land surface models.
New Analytical Solutions for Constant Rate Pumping in Two‐Zone Double‐Porosity Confined Aquifer: A New Source Term Reflecting Effects of Well Skin and Wellbore Storage
Authors: Wang Chen , Tong Chenchen , Yeh Hund‐Der , Huang Ching‐Sheng
Published: October 2024

This study develops two new analytical models for constant rate pumping at a partially penetrating well in a double‐porosity confined aquifer, considering skin and formation zones. One model, referred to as the two‐zone model, incorporates a flow equation to depict the flow in the skin around the well. The other model, named the source‐term model, introduces a novel source term at the outer rim of the skin to reflect the effects of both the skin and wellbore storage. The analytical solutions for both models are derived by the Laplace transform and finite Fourier cosine transform. Additionally, a finite element solution for the source‐term model is presented. Results suggest the source‐term model is suitable to most wells when the width of the skin is less than 1 m and the radius of influence exceeds the outer rim of the skin. Temporal drawdown distribution for a negative skin exhibits a triple‐humped shape with two flat stages, while that for a positive skin shows monotonous increase. The source‐term model enables orthogonal 5 × 5 nodes for finite element approximation to discretize a well and its adjacent skin. The finite element solution aligns with early drawdown data measured at an observation well under the effects observed in two field constant rate pumping tests. In conclusion, this study introduces a novel approach to modeling two‐zone flow, which may find practical utility in field applications.
Comparing the Sources of Sediment Retained by Beaver Dams and Beaver Dam Analogs
Authors: Westbrook Cherie J. , Cooper David J.
Published: October 2024

Beavers modify riverine systems by building dams that alter downstream fluxes of water and sediment. Where beavers have been lost and stream channels degraded, beaver dam analogs (BDAs) are being used to mimic the effects of beaver engineering. Central to the success of these structures in accelerating stream recovery is creating similar ecosystem responses as beaver dams including sediment retention. Unknown is the relative importance of beaver actions versus erosion in the catchment in generating the retained sediment. This study tested the viability of sediment fingerprinting to determine the source of sediment retained by beaver dams and BDAs in a watershed in Alberta, Canada. Concentrations of 29 elements were measured as potential tracers from known sediment sources: upland, terrace, stream bank, and beaver canal. Virtual mixture tests, used to compare the computed source estimates with known source mixtures, revealed that sediment fingerprinting is a robust method for identifying sources of sediment retained by beaver ponds and BDAs. The un‐mixing model results indicate that on average 56% of the sediment retained by the beaver dams originated from terraces, 23% from uplands, and 13% from beaver canals. About 89% of sediment retained by the BDAs originated from eroding stream banks. We conclude that the geomorphic effects of beavers and their dams are more diverse, resulting in more diverse sources of sediment retained by their dams. This differentiates beaver dams from BDAs. The study has implications for informing management practices that involve beavers and beaver mimicry.
Iron homeostasis and ferroptosis in human diseases: mechanisms and therapeutic prospects
Authors: Ru Qin , Li Yusheng , Chen Lin , Wu Yuxiang , Min Junxia , Wang Fudi
Published: October 2024

Iron, an essential mineral in the body, is involved in numerous physiological processes, making the maintenance of iron homeostasis crucial for overall health. Both iron overload and deficiency can cause various disorders and human diseases. Ferroptosis, a form of cell death dependent on iron, is characterized by the extensive peroxidation of lipids. Unlike other kinds of classical unprogrammed cell death, ferroptosis is primarily linked to disruptions in iron metabolism, lipid peroxidation, and antioxidant system imbalance. Ferroptosis is regulated through transcription, translation, and post-translational modifications, which affect cellular sensitivity to ferroptosis. Over the past decade or so, numerous diseases have been linked to ferroptosis as part of their etiology, including cancers, metabolic disorders, autoimmune diseases, central nervous system diseases, cardiovascular diseases, and musculoskeletal diseases. Ferroptosis-related proteins have become attractive targets for many major human diseases that are currently incurable, and some ferroptosis regulators have shown therapeutic effects in clinical trials although further validation of their clinical potential is needed. Therefore, in-depth analysis of ferroptosis and its potential molecular mechanisms in human diseases may offer additional strategies for clinical prevention and treatment. In this review, we discuss the physiological significance of iron homeostasis in the body, the potential contribution of ferroptosis to the etiology and development of human diseases, along with the evidence supporting targeting ferroptosis as a therapeutic approach. Importantly, we evaluate recent potential therapeutic targets and promising interventions, providing guidance for future targeted treatment therapies against human diseases.
Macrophage diversity in cancer dissemination and metastasis
Authors: Mantovani Alberto , Marchesi Federica , Di Mitri Diletta , Garlanda Cecilia
Published: October 2024

Invasion and metastasis are hallmarks of cancer. In addition to the well-recognized hematogenous and lymphatic pathways of metastasis, cancer cell dissemination can occur via the transcoelomic and perineural routes, which are typical of ovarian and pancreatic cancer, respectively. Macrophages are a universal major component of the tumor microenvironment and, in established tumors, promote growth and dissemination to secondary sites. Here, we review the role of tumor-associated macrophages (TAMs) in cancer cell dissemination and metastasis, emphasizing the diversity of myeloid cells in different tissue contexts (lungs, liver, brain, bone, peritoneal cavity, nerves). The generally used models of lung metastasis fail to capture the diversity of pathways and tissue microenvironments. A better understanding of TAM diversity in different tissue contexts may pave the way for tailored diagnostic and therapeutic approaches.
Analytical ab initio hessian from a deep learning potential for transition state optimization
Authors: Yuan Eric C.-Y. , Kumar Anup , Guan Xingyi , Hermes Eric D. , Rosen Andrew S. , Zádor Judit , Head-Gordon Teresa , Blau Samuel M.
Published: October 2024

Identifying transition states—saddle points on the potential energy surface connecting reactant and product minima—is central to predicting kinetic barriers and understanding chemical reaction mechanisms. In this work, we train a fully differentiable equivariant neural network potential, NewtonNet, on thousands of organic reactions and derive the analytical Hessians. By reducing the computational cost by several orders of magnitude relative to the density functional theory (DFT) ab initio source, we can afford to use the learned Hessians at every step for the saddle point optimizations. We show that the full machine learned (ML) Hessian robustly finds the transition states of 240 unseen organic reactions, even when the quality of the initial guess structures are degraded, while reducing the number of optimization steps to convergence by 2–3× compared to the quasi-Newton DFT and ML methods. All data generation, NewtonNet model, and ML transition state finding methods are available in an automated workflow.
A machine learning model reveals expansive downregulation of ligand-receptor interactions that enhance lymphocyte infiltration in melanoma with developed resistance to immune checkpoint blockade
Authors: Sahni Sahil , Wang Binbin , Wu Di , Dhruba Saugato Rahman , Nagy Matthew , Patkar Sushant , Ferreira Ingrid , Day Chi-Ping , Wang Kun , Ruppin Eytan
Published: October 2024

Immune checkpoint blockade (ICB) is a promising cancer therapy; however, resistance frequently develops. To explore ICB resistance mechanisms, we develop Immunotherapy Resistance cell-cell Interaction Scanner (IRIS), a machine learning model aimed at identifying cell-type-specific tumor microenvironment ligand-receptor interactions relevant to ICB resistance. Applying IRIS to deconvolved transcriptomics data of the five largest melanoma ICB cohorts, we identify specific downregulated interactions, termed resistance downregulated interactions (RDI), as tumors develop resistance. These RDIs often involve chemokine signaling and offer a stronger predictive signal for ICB response compared to upregulated interactions or the state-of-the-art published transcriptomics biomarkers. Validation across multiple independent melanoma patient cohorts and modalities confirms that RDI activity is associated with CD8 + T cell infiltration and highly manifested in hot/brisk tumors. This study presents a strongly predictive ICB response biomarker, highlighting the key role of downregulating chemotaxis-associated ligand-receptor interactions in inhibiting lymphocyte infiltration in resistant tumors.
Deconstructing the geography of human impacts on species’ natural distribution
Authors: Waldock Conor , Wegscheider Bernhard , Josi Dario , Calegari Bárbara Borges , Brodersen Jakob , Jardim de Queiroz Luiz , Seehausen Ole
Published: October 2024

It remains unknown how species’ populations across their geographic range are constrained by multiple coincident natural and anthropogenic environmental gradients. Conservation actions are likely undermined without this knowledge because the relative importance of the multiple anthropogenic threats is not set within the context of the natural determinants of species’ distributions. We introduce the concept of a species ‘shadow distribution’ to address this knowledge gap, using explainable artificial intelligence to deconstruct the environmental building blocks of current species distributions. We assess shadow distributions for multiple threatened freshwater fishes in Switzerland which indicated how and where species respond negatively to threats — with negative threat impacts covering 88% of locations inside species’ environmental niches leading to a 25% reduction in environmental suitability. Our findings highlight that conservation of species’ geographic distributions is likely insufficient when biodiversity mapping is based on species distribution models, or threat mapping, without also quantifying species’ expected or shadow distributions. Overall, we show how priority actions for nature’s recovery can be identified and contextualised within the multiple natural constraints on biodiversity to better meet national and international biodiversity targets.
Non-homogenous intratumor ionizing radiation doses synergize with PD1 and CXCR2 blockade
Authors: Bergeron Paul , Dos Santos Morgane , Sitterle Lisa , Tarlet Georges , Lavigne Jeremy , Liu Winchygn , Gerbé de Thoré Marine , Clémenson Céline , Meziani Lydia , Schott Cathyanne , Mazzaschi Giulia , Berthelot Kevin , Benadjaoud Mohamed Amine , Milliat Fabien , Deutsch Eric , Mondini Michele
Published: October 2024

The efficacy and side effects of radiotherapy (RT) depend on parameters like dose and the volume of irradiated tissue. RT induces modulations of the tumor immune microenvironment (TIME) that are dependent on the dose. Low dose RT (LDRT, i.e., single doses of 0.5–2 Gy) has been shown to promote immune infiltration into the tumor. Here we hypothesize that partial tumor irradiation combining the immunostimulatory/non-lethal properties of LDRT with cell killing/shrinkage properties of high dose RT (HDRT) within the same tumor mass could enhance anti-tumor responses when combined with immunomodulators. In models of colorectal and breast cancer in immunocompetent female mice, partial irradiation (PI) with millimetric precision to deliver LDRT (2 Gy) and HDRT (16 Gy) within the same tumor induces substantial tumor control when combined with anti-PD1. Using flow cytometry, cytokine profiling and single-cell RNA sequencing, we identify a crosstalk between the TIME of the differentially irradiated tumor volumes. PI reshapes tumor-infiltrating CD8+ T cells into more cytotoxic and interferon-activated phenotypes but also increases the infiltration of pro-tumor neutrophils driven by CXCR2. The combination of the CXCR2 antagonist SB225002 with PD1 blockade and PI improves tumor control and mouse survival. Our results suggest a strategy to reduce RT toxicity and improve the therapeutic index of RT and immune checkpoint combinations.
Pre-operative stereotactic radiosurgery and peri-operative dexamethasone for resectable brain metastases: a two-arm pilot study evaluating clinical outcomes and immunological correlates
Authors: Jansen Caroline S. , Pagadala Meghana S. , Cardenas Maria A. , Prabhu Roshan S. , Goyal Subir , Zhou Chengjing , Chappa Prasanthi , Vo BaoHan T. , Ye Chengyu , Hopkins Benjamin , Zhong Jim , Klie Adam , Daniels Taylor , Admassu Maedot , Green India , Pfister Neil T. , Neill Stewart G. , Switchenko Jeffrey M. , Prokhnevska Nataliya , Hoang Kimberly B. , Torres Mylin A. , Logan Suzanna , Olson Jeffrey J. , Nduom Edjah K. , del Balzo Luke , Patel Kirtesh , Burri Stuart H. , Asher Anthony L. , Wilkinson Scott , Lake Ross , Kesarwala Aparna H. , Higgins Kristin A. , Patel Pretesh , Dhere Vishal , Sowalsky Adam G. , Carter Hannah , Khan Mohammad K. , Kissick Haydn , Buchwald Zachary S.
Published: October 2024

Enhancing the efficacy of immunotherapy in brain metastases (BrM) requires an improved understanding of the immune composition of BrM and how this is affected by radiation and dexamethasone. Our two-arm pilot study (NCT04895592) allocated 26 patients with BrM to either low (Arm A) or high (Arm B) dose peri-operative dexamethasone followed by pre-operative stereotactic radiosurgery (pSRS) and resection (n= 13 per arm). The primary endpoint, a safety analysis at 4 months, was met. The secondary clinical endpoints of overall survival, distant brain failure, leptomeningeal disease and local recurrence at 12-months were 66%, 37.3%, 6%, and 0% respectively and were not significantly different between arms (p= 0.7739, p= 0.3884, p= 0.3469). Immunological data from two large retrospective BrM datasets and confirmed by correlates from both arms of this pSRS prospective trial revealed that BrM CD8 T cells were composed of predominantly PD1+ TCF1+ stem-like and PD1+ TCF1-TIM3+ effector-like cells. Clustering of TCF1+ CD8 T cells with antigen presenting cells in immune niches was prognostic for local control, even without pSRS. Following pSRS, CD8 T cell and immune niche density were transiently reduced compared to untreated BrM, followed by a rebound 6+ days post pSRS with an increased frequency of TCF1- effector-like cells. In sum, pSRS is safe and therapeutically beneficial, and these data provide a framework for how pSRS may be leveraged to maximize intracranial CD8 T cell responses.
No universal mathematical model for thermal performance curves across traits and taxonomic groups
Authors: Kontopoulos Dimitrios - Georgios , Sentis Arnaud , Daufresne Martin , Glazman Natalia , Dell Anthony I. , Pawar Samraat
Published: October 2024

In ectotherms, the performance of physiological, ecological and life-history traits universally increases with temperature to a maximum before decreasing again. Identifying the most appropriate thermal performance model for a specific trait type has broad applications, from metabolic modelling at the cellular level to forecasting the effects of climate change on population, ecosystem and disease transmission dynamics. To date, numerous mathematical models have been designed, but a thorough comparison among them is lacking. In particular, we do not know if certain models consistently outperform others and how factors such as sampling resolution and trait or organismal identity influence model performance. To fill this knowledge gap, we compile 2,739 thermal performance datasets from diverse traits and taxa, to which we fit a comprehensive set of 83 existing mathematical models. We detect remarkable variation in model performance that is not primarily driven by sampling resolution, trait type, or taxonomic information. Our results reveal a surprising lack of well-defined scenarios in which certain models are more appropriate than others. To aid researchers in selecting the appropriate set of models for any given dataset or research objective, we derive a classification of the 83 models based on the average similarity of their fits.
The structure and statistics of language jointly shape cross-frequency neural dynamics during spoken language comprehension
Authors: Weissbart Hugo , Martin Andrea E.
Published: October 2024

Humans excel at extracting structurally-determined meaning from speech despite inherent physical variability. This study explores the brain’s ability to predict and understand spoken language robustly. It investigates the relationship between structural and statistical language knowledge in brain dynamics, focusing on phase and amplitude modulation. Using syntactic features from constituent hierarchies and surface statistics from a transformer model as predictors of forward encoding models, we reconstructed cross-frequency neural dynamics from MEG data during audiobook listening. Our findings challenge a strict separation of linguistic structure and statistics in the brain, with both aiding neural signal reconstruction. Syntactic features have a more temporally spread impact, and both word entropy and the number of closing syntactic constituents are linked to the phase-amplitude coupling of neural dynamics, implying a role in temporal prediction and cortical oscillation alignment during speech processing. Our results indicate that structured and statistical information jointly shape neural dynamics during spoken language comprehension and suggest an integration process via a cross-frequency coupling mechanism.
Restoring protein glycosylation with GlycoShape
Authors: Ives Callum M. , Singh Ojas , D’Andrea Silvia , Fogarty Carl A. , Harbison Aoife M. , Satheesan Akash , Tropea Beatrice , Fadda Elisa
Published: October 2024

Despite ground-breaking innovations in experimental structural biology and protein structure prediction techniques, capturing the structure of the glycans that functionalize proteins remains a challenge. Here we introduce GlycoShape (https://glycoshape.org), an open-access glycan structure database and toolbox designed to restore glycoproteins to their native and functional form in seconds. The GlycoShape database counts over 500 unique glycans so far, covering the human glycome and augmented by elements from a wide range of organisms, obtained from 1 ms of cumulative sampling from molecular dynamics simulations. These structures can be linked to proteins with a robust algorithm named Re-Glyco, directly compatible with structural data in open-access repositories, such as the Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) and AlphaFold Protein Structure Database, or own. The quality, performance and broad applicability of GlycoShape is demonstrated by its ability to predict N-glycosylation occupancy, scoring a 93% agreement with experiment, based on screening all proteins in the PDB with a corresponding glycoproteomics profile, for a total of 4,259 N-glycosylation sequons.
Resistance patterns, virulence determinants, and biofilm genes of multidrug-resistant Pseudomonas aeruginosa isolated from fish and fish handlers
Authors: Abou Elez Rasha M. M. , Zahra Eman Mohamed Fayek , Gharieb Rasha M. A. , Mohamed Mohamed Elsayed Mohamed , Samir Mohamed , Saad Alaaeldin Mohamed , Merwad Abdallah Mohamed Amin
Published: October 2024

Pseudomonas aeruginosa (P. aeruginosa) is an opportunistic bacterium that is widely distributed in aquatic environments and causes major economic losses in fish and public health hazards.This study aimed to identify the occurrence of P. aeruginosa in samples collected from fish and fish handlers, and to investigate the antimicrobial susceptibility, virulence determinants, and biofilm genes of P. aeruginosa isolates. A total of 276 samples were cross-sectionally collected from Nile tilapia (53), Golden grey mullet (52), Mediterranean horse mackerel (50), Striped red mullet (71), and fish handlers (50) at five different retail fish markets in Damietta Governorate, Egypt. Pseudomonas species (spp.) were biochemically identified in 57.9% of the total examined samples. Peudomonas aeruginosa were the most prevalent species isolated from the fish and human samples via PCR technique. Peudomonas aeruginosa isolates exhibited full resistance (100%) to tobramycin (TOB), gentamicin (CN), and colistin (CL), with a high level of susceptibility (88.5%) to imipenem (IPM) using the disk diffusion method. Most P. aeruginosa isolates (84.6%) exhibited drug resistance, with 61.5% were multidrug resistance (MDR) and 23.1% were extensive drug resistance (XDR). Most isolates had at least four virulence-associated genes (lasB, toxA, exoU, and oprL) and three biofilm genes (psIA, peIA, and lasR) by using uniplex PCR. The lasI, and rhlR Quorum Sensing (QS) genes were identified in 84.6% and 61.5% in the examined P. aeruginosa isolates, respectively. The highest mortality rate in Nile tilapia experimentally infected with P. aeruginosa isolate encoding most of virulent genes. Multivariate analyses revealed high heterogeneity among the examined isolates. This study revealed the emergence of virulent and drug resistant P. aeruginosa isolates in fish, poses high risks to consumers and food. Thus, strict hygienic measures should be considered when catching, handling, and storing fish, in addition to the routine application of antimicrobial susceptibility testing.
Privacy-friendly evaluation of patient data with secure multiparty computation in a European pilot study
Authors: Ballhausen Hendrik , Corradini Stefanie , Belka Claus , Bogdanov Dan , Boldrini Luca , Bono Francesco , Goelz Christian , Landry Guillaume , Panza Giulia , Parodi Katia , Talviste Riivo , Tran Huong Elena , Gambacorta Maria Antonietta , Marschner Sebastian
Published: October 2024

In multicentric studies, data sharing between institutions might negatively impact patient privacy or data security. An alternative is federated analysis by secure multiparty computation. This pilot study demonstrates an architecture and implementation addressing both technical challenges and legal difficulties in the particularly demanding setting of clinical research on cancer patients within the strict European regulation on patient privacy and data protection: 24 patients from LMU University Hospital in Munich, Germany, and 24 patients from Policlinico Universitario Fondazione Agostino Gemelli, Rome, Italy, were treated for adrenal gland metastasis with typically 40 Gy in 3 or 5 fractions of online-adaptive radiotherapy guided by real-time MR. High local control (21% complete remission, 27% partial remission, 40% stable disease) and low toxicity (73% reporting no toxicity) were observed. Median overall survival was 19 months. Federated analysis was found to improve clinical science through privacy-friendly evaluation of patient data in the European health data space.
Quantum bit with telecom wave-length emission from a simple defect in Si
Authors: Deák Peter , Li Song , Gali Adam
Published: October 2024

Defect-related spin-to-photon interfaces in silicon promise the realization of quantum repeaters by combining advanced semiconductor and photonics technologies. Recently, controlled creation/erasure of simple carbon interstitial defects have been successfully realised in silicon. This defect has a stable structure near room temperature and coherently emits in the wave-length where the signal loss is minimal in optical fibres used in communication technologies. Our in-depth theoretical characterization confirms the assignment of the observed emission to the neutral charge state of this defect, as arising due to the recombination of a bound exciton. We also identified a metastable triplet state that could be applied as a quantum memory. Based on the analysis of the electronic structure of the defect and its similarities to a known optically detected magnetic resonance centre in silicon, we propose that a carbon interstitial can act as a quantum bit and may realize a spin-to-photon interface in complementary metal-oxide semiconductor-compatible platforms.
Deformed alluvial terraces record an excess of slip over the last few centuries on the Himalayan Topographic Frontal Thrust of central Bhutan
Authors: Gautier Maxime , Ferry Matthieu , Gautier Stéphanie , Le Roux-Mallouf Romain , Drukpa Dowchu , Cattin Rodolphe
Published: October 2024

Deformed alluvial terraces are ubiquitous markers of a fault’s recent activity and may help assess its slip rate and associated seismic hazard. They are often considered as a nearly flat surface translated and rotated along a planar or listric fault. The present study challenges these assumptions by revealing uneven terrace treads and verticalization of the Topographic Frontal Thrust (TFT) in south-central Bhutan. We model this finding as combined variability in both the aggradation and geometry of the TFT. We estimate a Holocene slip rate of 19.6 ± 4.1 mm.yr−1, which confirms that the TFT accommodates most of the shortening across the range. Contrary to previous studies, we find an excess of slip over the last few centuries, which implies a lower seismic hazard. These results highlight the importance of considering the non-planar component in terrace shape, shallow abrupt changes in fault geometry, and aggradation in future morphotectonic studies worldwide.
Multifunctional carbon-based nanostructures (CBNs) for advanced biomedical applications – a perspective and review
Authors: Joshi Naveen Narasimhachar , Narayan Jagdish , Narayan Roger
Published: October 2024

Carbon-based nanostructures (CBNs) have attracted immense attention from biomedical researchers due to their unique combination of extraordinary mechanical, thermal, electrical, and optical properties.
Unspecific peroxygenase immobilization in 3D-printed microfluidics: towards tailor-made screening platforms
Authors: Gkantzou Elena , Koulopoulou Theofilia , Brass Hannah , Schönauer David , Glieder Anton , Kara Selin
Published: October 2024

In the context of empowering biocatalysis, an easy-to-develop, reproducible, and easy-to-scale biocatalytic system is demonstrated as a microfluidic screening platform.
One-pot synthesis of 1,4-butanediol via the deep hydrogenation of maleic anhydride over Cu–xMo/SiO2 catalysts
Authors: Cui Kai , Yang Jiaming , Jing Yuli , Chen Junwen , Zhao Chen , Wu Peng , Li Xiaohong
Published: October 2024

A Cu–0.03Mo/SiO2 catalyst realized the one-pot deep hydrogenation of maleic anhydride to 1,4-butanediol at 200 °C, under 5 MPa of hydrogen pressure with 100% conversion and 88.3% selectivity, one of the highest values for this target reaction.
Embedding DNA-based natural language in microbes for the benefit of future researchers
Authors: Zhang Heqian , Huang Jiaquan , Wang Xiaoyu , Gao Zhizeng , Meng Song , Li Hang , Zhou Shanshan , Wang Shang , Wang Shan , Yan Xunyou , Yang Xinwei , Huang Xiaoluo , Qin Zhiwei
Published: October 2024

Using a DNA digital storage algorithm, we developed a standardized process to embed natural language within microorganisms.
Enhancing inter-domain connectivity by reducing fractal dimensions: the key to passivating deep traps in organic photovoltaics
Authors: Fu Yuang , Xu Luhang , Li Yuhao , Yang Emily J. , Guo Yu , Cai Guilong , Chan Pok Fung , Ke Yubin , Su Chun-Jen , Jeng U-Ser , Chow Philip C. Y. , Kim Ji-Seon , Tang Man-Chung , Lu Xinhui
Published: October 2024

Researchers in CUHK identified isolated non-fullerene acceptor (NFA) domains as the morphological origin of deep electron traps in organic photovoltaics. They showcased effective trap passivation by reducing the fractal dimensions of NFA networks.
Deciphering anomalous zinc ion storage in intermediate-state MnO2 during layer-to-tunnel structural transition
Authors: Li Xiaohui , He Dayin , Zhou Qiancheng , Zhou Xing , Wang Zhouzhou , Wei Chenchen , Shi Yaran , Hu Xiyang , Huang Bangwang , Yang Ze , Han Xiao , Lin Yue , Yu Ying
Published: October 2024

A novel intermediate-state MnO2 structure formed during the phase transition from a layered to a tunnel structure reduces the symmetry of [MnO6] octahedral units, eliminates ground-state degeneracy and suppresses the Jahn–Teller effect.
Circular battery design: investing in sustainability and profitability
Authors: Wolf Andreas , Nagler Felix , Daubinger Philip , Neef Christoph , Mandel Karl , Flegler Andreas , Giffin Guinevere A.
Published: October 2024

The market share of low-cost battery chemistries, which offer little to no recycling profitability with current methods, is growing. Design for circularity could be the key to reducing costs and enhancing sustainability for these batteries.
Regulation of redox enzymes by nutraceuticals: a review of the roles of antioxidant polyphenols and peptides
Authors: Obeme-Nmom Joy I. , Abioye Raliat O. , Reyes Flores Samanta S. , Udenigwe Chibuike C.
Published: October 2024

Several nutraceutical compounds, such as polyphenols and peptides, modulate the enzymatic antioxidant defence system, providing an avenue for the development of multifunctional functional foods.
Dietary supplementation of pterostilbene, a major component in small berries, prevents alcohol-induced liver injury associated with lipid accumulation and inflammation
Authors: Dou Jia-Yi , Liu Sai-Hu , Guo Jia , Wang Chen-Yu , Dai Xu , Lian Li-Hua , Cui Zhen-Yu , Nan Ji-Xing , Wu Yan-Ling
Published: October 2024

Pterostilbene (PTE), a natural stilbene found in small berries, exhibits multiple pharmacological activities, particularly antioxidant and anti-inflammatory activities.
Succulent inspired grown g-C3N4@lithium sodium niobate for supercapacitors and piezo-tuned electrochemical potential controlled smart electromagnetic shielding management
Authors: Singh Prem Pal , Khatua Bhanu Bhusan
Published: October 2024

This study illustrates the synthesis and application of succulent-inspired grown GN@LNN for self-charging supercapacitors and real-time EMI shielding manipulations.
Exsolution of Ni nanoparticles in A-site excess STO films
Authors: Both Kevin G. , Neagu Dragos , Prytz Øystein , Norby Truls , Chatzitakis Athanasios
Published: October 2024

We suggest ways to control the size of exsolved particles and to create regions of high particle density within materials.
Evidence of high electron mobility in magnetic kagome topological metal FeSn thin films
Authors: Mosesso Lorenzo , Tomarchio Luca , Bhattarai Niraj , Macis Salvatore , Gori Paola , Grilli Antonio , Cestelli Guidi Mariangela , Philip John , Pulci Olivia , Lupi Stefano
Published: October 2024

Optical spectroscopy experiments on an important representative of kagome metals, FeSn, revealed the emergence of Dirac electrons dominating the low energy electrodynamics of the system, providing evidence for quasi-2D Dirac bulk states.
Bi-doped ruthenium oxide nanocrystal for water oxidation in acidic media
Authors: Chen Shiyao , Liu Hai , Yuan Bichen , Xu Wenhai , Cao Aiqing , Sendeku Marshet Getaye , Li Yaping , Sun Xiaoming , Wang Fengmei
Published: October 2024

Bi atoms were introduced into rutile RuO2 (i.e., Bi0.05Ru0.95O2) for enhancing its catalytic activity and stability toward the acidic oxygen evolution reaction (OER) with a low overpotential (203.5 mV at 10 mA cm−2) and excellent stability.
Conductive filament distribution in nano-scale electrochemical metallization cells
Authors: Speckbacher Maximilian , Rinderle Michael , Bienek Oliver , Sharp Ian D. , Gagliardi Alessio , Tornow Marc
Published: October 2024

Electrochemical metallization (ECM) cells comprising 100 nm sized silver cubes as active electrode reveal a distinct distribution of formed filaments close to the nanocube edges due to local electric field enhancement effects.
Cerium oxide-modified Pd nanosheets encapsulated by red blood cell membranes for high-efficiency RONS scavenging in depression treatment
Authors: Hu Xinyan , Zhang Xianhua , Zhang Gongxin , Cao Dongxu , Ye Zichen , Chen Xiaolan
Published: October 2024

Pd–CeO2@RBC nanozymes with outstanding antioxidative activities have been developed to penetrate the blood–brain barrier and alleviate lipopolysaccharide-induced depression symptoms by scavenging reactive oxygen and nitrogen species (RONS).
Lithium-ion batteries with fluorinated mesogen-based liquid-crystalline electrolytes: molecular design towards enhancing oxidation stability
Authors: Takegawa Shingo , Hamaguchi Kazuma , Hosono Eiji , Sato Shunsuke , Watanabe Go , Uchida Junya , Kato Takashi
Published: October 2024

Nanostructured liquid-crystalline electrolytes composed of a fluorinated aromatic mesogen show improved oxidation stability, resulting in enhanced charge–discharge capacity and coulombic efficiency of lithium-ion batteries.
Multifunctional water-soluble binders for Li–S batteries
Authors: Zheng Hongbang , Ma Longli , Yi Pengshu , Fang Zhan , Yuan Yuhang , Shen Jianfeng , Ye Mingxin
Published: October 2024

In order to suppress the shuttle effect of a sulfur material during the charging and discharging processes, this work provides a new strategy for designing advanced water-soluble multifunctional binders for improving the cycle life of Li–S batteries.
Catalytic copolymerization of carbon dioxide and cyclohexene oxide by a trinuclear cyclohexane-bridged tetradentate Schiff base chromium complex
Authors: Huang Jie , Shen Boxiong
Published: October 2024

The development of catalytic systems is a central area of research in carbon dioxide (CO2) and epoxy copolymerization.
Pt/C catalysts synthesized in a commercial particle atomic layer deposition system enabling improved durability in fuel cells
Authors: Pescher Fiona , Stiegeler Julian , Heizmann Philipp A. , Klose Carolin , Vierrath Severin , Breitwieser Matthias
Published: October 2024

Pt/Cs synthesized via particle ALD demonstrate increased PEM fuel cell durability over 30 000 cycles of Pt dissolution testing, attributed to their narrow Pt size distribution and high Pt dispersity.
In silico simulations of diffusion tensors and tortuosity in cells grown on 3D-printed scaffolds for tissue engineering
Authors: Cartlidge Topaz A. A. , Wu Yan , Robertson Thomas B. R. , Katsamenis Orestis L. , Pileio Giuseppe
Published: October 2024

Tissue engineering is set to revolutionise regenerative medicine, drug discovery, and cancer biology.
Visible light mediated photocatalysis by lanthanide metal–organic frameworks: enhanced specificity and mechanistic insights
Authors: Gupta Ruchika , Aashish  , Upma  , Majumdar Shubhangi , Chowdhury Pramit K. , Gupta Rajeev
Published: October 2024

Ln-MOFs of a Co3+-metalloligand function as remarkable photocatalysts for the selective oxidation of alcohols and sulfides using visible light. The photophysical properties and mechanism of photocatalysis have been comprehensively investigated.
London dispersion driven compaction of coordination cages in the gas-phase – a combined ion mobility and theoretical study
Authors: Drechsler Christoph , Baksi Ananya , Platzek André , Acar Mert , Holstein Julian J. , Stein Christopher J. , Clever Guido H.
Published: October 2024

Large self-assembled systems (such as metallosupramolecular rings and cages) can be difficult to structurally characterize, in particular when they show a highly dynamic behavior.
Enhancing hydrogen evolution reaction activity through defects and strain engineering in monolayer MoS2
Authors: Nadarajan Renjith , Dey Sraboni , Kayal Arijit , Mitra Joy , Shaijumon Manikoth M.
Published: October 2024

The synergistic creation of vacancy defects, along with strain-induced active sites is shown to enhance hydrogen evolution reaction (HER) performance of CVD-grown monolayer MoS2.
The composition/field-induced octahedral tilt, domain switching and improved piezoelectric properties of BF-BT ceramics during phase transition
Authors: Chen Jinyu , Chen Chao , Zhao Chong , Tu Na , Chen Yunjing , Nie Xin , Huang Xiaokun , Liu Jun-Ming , Jiang Xiangping
Published: October 2024

The structural mechanism underlying the high piezoelectric activity of BF-BT was elucidated from the aspects of phase structure, domain dynamics, and octahedral torsion under an electric field.
Edge sites on platinum electrocatalysts are responsible for discharge in the hydrogen evolution reaction
Authors: Adavan Kiliyankil Vipin , Mao Wei , Takahashi Yurie , Gong Wei , Kabayama Shigeru , Hamasaki Yuki , Fukutani Katsuyuki , Matsuzaki Hiroyuki , Sakata Ichiro , Takeuchi Kenji , Endo Morinobu , Fugetsu Bunshi
Published: October 2024

New insights into the electrochemical functionalities of the edge sites on platinum in the hydrogen evolution reaction and novel nanotechnological strategies to produce edge-rich electrocatalysts are described.
Incorporation of halogens (Cl, Br, and I) in an Li–P–S–O system for exploring new sulfide solid electrolytes with high conductivity and superior electrochemical performance in solid-state batteries
Authors: Raj Hari , Neveu Audric , Jordy Christian , Pelé Vincent , Pralong Valerie
Published: October 2024

Doping halogen elements into LGPS-structured sulfide solid electrolytes could address the instability in the ambient atmosphere and incompatibility with lithium metal, paving the way for the successful commercialization of solid-state batteries.
Sodium storage performance of a high entropy sulfide anode with reduced volume expansion
Authors: Ma Jianping , Guo Jinyi , Li Weizheng , Yang Xiaohan , Huang Chengde
Published: October 2024

The introduction of a high-entropy structure into multi-metal sulfides has successfully mitigated volume expansion during the cycling process of sodium-ion batteries!
Boosting energy-efficient hydrogen evolution by electronically modulating Ni nodes in a framework for methanol oxidation in fresh and seawater
Authors: Shrestha Nabeen K. , Inamdar Akbar I. , Im Hyunsik , Cho Sangeun
Published: October 2024

An e-modulated Ni MOF prepared through Zn doping enhances the number of active sites for the formation of a catalytic Ni–OOH phase, thereby accelerating methanol oxidation at the anode and boosting H2 generation at the cathode.
Rational engineering and synthesis of pyrene and thiazolo[5,4-d]thiazole-functionalized conjugated microporous polymers for efficient supercapacitor energy storage
Authors: Basit Abdul , Kao Yang-Chin , El-Ossaily Yasser A. , Kuo Shiao-Wei , Mohamed Mohamed Gamal
Published: October 2024

The Py-Th-TzTz CMP was synthesized through a Schiff base reaction and exhibited a decomposition temperature (Td10) of 352 °C. In a three-electrode system, it demonstrated a specific capacitance of 652 F g−1.
Tracking the active phase and reaction pathway of the OER mediated by an MnMoO4 microrod electro(pre)-catalyst
Authors: Rajput Anubha , Kumari Ankita , Basak Hirak Kumar , Ghosh Dibyajyoti , Chakraborty Biswarup
Published: October 2024

MnMoO4 is a barely explored material for the electrocatalytic oxygen evolution reaction (OER) and in situ tracking of the reactive intermediates and final active species during the OER in an alkaline pH lacks a sequential study.
Hydrosulphide–methaemoglobin–albumin cluster: a hydrogen sulphide donor
Authors: Suzuki Yuto , Yamada Taiga , Enoki Yuki , Matsumoto Kazuaki , Komatsu Teruyuki , Taguchi Kazuaki
Published: October 2024

Methaemoglobin (metHb) possesses inherent characteristics that facilitate reversible binding to hydrogen sulfide.
Unidirectional heat and fluid transfer performances of a thermal diode with fishbone-microstructure wicks
Authors: Li Ping , Huang Jiale , Qiu Haifeng , Deng Liangming , Liao Jiawei , Jin Tuo , Zheng Yongfeng , Xiang Jianhua
Published: October 2024

A thermal diode is fabricated with remarkable unidirectional heat transfer performance. It shows long-distance heat transmission and working adaptiveness, providing a valuable insight for designing thermal management devices to meet extreme demands.
Calibration of several first excited state properties for organic molecules through systematic comparison of TDDFT with experimental spectra
Authors: Wu Xia , Xie Xiaoyu , Troisi Alessandro
Published: October 2024

We systematically evaluate computed excitation energies, oscillator strengths, and exciton reorganization energies by fitting experimental absorption spectra of 71 molecules.
Powering the future: Germany's Wasserstoffstrategie in the transition to climate neutrality – case study on green hydrogen for the chemical industry
Authors: Seithümmer Valentin Benedikt , Lutz Julia Valentina , Kaufmann Samuel Jaro , Chinnaraj Haripriya , Rößner Paul , Birke Kai Peter
Published: October 2024

Analysis and calculation of Germany's climate politics and hydrogen strategy, with a focus on the technical demand for hydrogen implementation through a case study of the chemical industry that engages multiple stakeholders.