bluuebunny/crossref_metadata_2025 huggingface dataset:
A virtual reality paradigm simulating blood donation serves as a platform to test interventions to promote donation
Authors: Williams Lisa A. , Tzelios Kallie , Masser Barbara , Thijsen Amanda , van Dongen Anne , Davison Tanya E.
Published: May 2024

Effective interventions that support blood donor retention are needed. Yet, integrating an intervention into the time-pressed and operationally sensitive context of a blood donation center requires justification for disruptions to an optimized process. This research provides evidence that virtual reality (VR) paradigms can serve as a research environment in which interventions can be tested prior to being delivered in blood donation centers. Study 1 (N = 48) demonstrated that 360°-video VR blood donation environments elicit a similar profile of emotional experience to a live donor center. Presence and immersion were high, and cybersickness symptoms low. Study 2 (N = 134) was an experiment deploying the 360°-video VR environments to test the impact of an intervention on emotional experience and intentions to donate. Participants in the intervention condition who engaged in a suite of tasks drawn from the process model of emotion regulation (including attentional deployment, positive reappraisal, and response modulation) reported more positive emotion than participants in a control condition, which in turn increased intentions to donate blood. By showing the promise for benefitting donor experience via a relatively low-cost and low-resource methodology, this research supports the use of VR paradigms to trial interventions prior to deployment in operationally-context field settings.
Differential Smad2/3 linker phosphorylation is a crosstalk mechanism of Rho/ROCK and canonical TGF-β3 signaling in tenogenic differentiation
Authors: Melzer Michaela , Niebert Sabine , Heimann Manuela , Ullm Franziska , Pompe Tilo , Scheiner-Bobis Georgios , Burk Janina
Published: May 2024

The transforming growth factor (TGF)-β3 is a well-known inducer for tenogenic differentiation, signaling via the Smad2/3 pathway. Furthermore, other factors like extracellular matrix or mechanical force can induce tenogenic differentiation and possibly alter the response to TGF-β3 by signaling via the Rho/ROCK pathway. The aim of this study was to investigate the interplay of Rho/ROCK and TGF-β3/Smad signaling in tenogenic differentiation, with the Smad2/3 molecule hypothesized as a possible interface. Cultured as monolayers or on collagen I matrices, mesenchymal stromal cells (MSC) were treated with the ROCK inhibitor Y-27632 (10 µM), TGF-β3 (10 ng/ml) or both combined. Control cells were cultured accordingly, without Y-27632 and/or without TGF-β3. At different time points, MSC were analyzed by real-time RT-PCR, immunofluorescence, and Western blot. Cultivation of MSC on collagen matrices and ROCK inhibition supported tenogenic differentiation and fostered the effect of TGF-β3. The phosphorylation of the linker region of Smad2 was reduced by cultivation on collagen matrices, but not by ROCK inhibition. The latter, however, led to increased phosphorylation of the linker region of Smad3. In conclusion, collagen matrices and the Rho/ROCK signaling pathway influence the TGF-β3/Smad2/3 pathway by regulating different phosphorylation sites of the Smad linker region.
Reentrant phase behavior in systems with density-induced tunneling
Authors: Krzywicka A. , Polak T. P.
Published: May 2024

We show that correlations in strongly interacting many-particle systems can create quantum decoherence, leading to a mechanism of dissipation that does not rely on an external source. Using analytical methods, we study a bosonic many body system in two dimensions, with extended interactions between particles. We show that, as expected, the system can be driven out of a coherent state. Surprisingly, when the interaction strength is sufficiently large, the system reenters the superfluid phase even after coherence is lost. The breakdown of quantum coherence is a certainty, but interpreting the process correctly relies on understanding and preserving the nature of the coupling between the constituents of the many particle system. The methods used provide a natural cutoff point at the critical temperature, where superfluidity breaks down.
A Bayesian spatio-temporal model of COVID-19 spread in England
Authors: Yin Xueqing , Aiken John M. , Harris Richard , Bamber Jonathan L.
Published: May 2024

Exploring the spatio-temporal variations of COVID-19 transmission and its potential determinants could provide a deeper understanding of the dynamics of disease spread. This study aimed to investigate the spatio-temporal spread of COVID-19 infections in England, and examine its associations with socioeconomic, demographic and environmental risk factors. We obtained weekly reported COVID-19 cases from 7 March 2020 to 26 March 2022 at Middle Layer Super Output Area (MSOA) level in mainland England from publicly available datasets. With these data, we conducted an ecological study to predict the COVID-19 infection risk and identify its associations with socioeconomic, demographic and environmental risk factors using a Bayesian hierarchical spatio-temporal model. The Bayesian model outperformed the ordinary least squares model and geographically weighted regression model in terms of prediction accuracy. The spread of COVID-19 infections over space and time was heterogeneous. Hotspots of infection risk exhibited inconsistent clustering patterns over time. Risk factors found to be positively associated with COVID-19 infection risk were: annual household income [relative risk (RR) = 1.0008, 95% Credible Interval (CI) 1.0005–1.0012], unemployment rate [RR = 1.0027, 95% CI 1.0024–1.0030], population density on the log scale [RR = 1.0146, 95% CI 1.0129–1.0164], percentage of Caribbean population [RR = 1.0022, 95% CI 1.0009–1.0036], percentage of adults aged 45–64 years old [RR = 1.0031, 95% CI 1.0024–1.0039], and particulate matter ($$\text {PM}_{2.5}$$

PM

2.5

) concentrations [RR = 1.0126, 95% CI 1.0083–1.0167]. The study highlights the importance of considering socioeconomic, demographic, and environmental factors in analysing the spatio-temporal variations of COVID-19 infections in England. The findings could assist policymakers in developing tailored public health interventions at a localised level.
Memory capacity as the core mechanism of the development of space–time interferences in children
Authors: Hallez Quentin , Balcı Fuat
Published: May 2024

This study investigated the development of spatiotemporal perceptual interactions in 5-to-7 years old children. Participants reproduced the temporal and spatial interval between sequentially presented visual stimuli. The time and spacing between stimuli were experimentally manipulated. In addition, cognitive capacities were assessed using neuropsychological tests. Results revealed that starting at 5 years old, children exhibited spatial biases in their time estimations and temporal biases in their spatial estimations, pointing at space–time interference. In line with developmental improvement of temporal and spatial abilities, these spatiotemporal biases decreased with age. Importantly, short-term memory capacity was a predictor of space–time interference pointing to shared cognitive mechanisms between time and space processing. Our results support the symmetrical hypothesis that proposes a common neurocognitive mechanism for processing time and space.
Increased susceptibility to Mycobacterium avium complex infection in miniature Schnauzer dogs caused by a codon deletion in CARD9
Authors: Mizukami Keijiro , Dorsey-Oresto Angella , Raj Karthik , Eringis Anna , Furrow Eva , Martin Errolyn , Yamanaka Daisuke , Kehl Alexandra , Kolicheski Ana , Jagannathan Vidhya , Leeb Tosso , Lionakis Michail S. , Giger Urs
Published: May 2024

Mammals are generally resistant to Mycobacterium avium complex (MAC) infections. We report here on a primary immunodeficiency disorder causing increased susceptibility to MAC infections in a canine breed. Adult Miniature Schnauzers developing progressive systemic MAC infections were related to a common founder, and pedigree analysis was consistent with an autosomal recessive trait. A genome-wide association study and homozygosity mapping using 8 infected, 9 non-infected relatives, and 160 control Miniature Schnauzers detected an associated region on chromosome 9. Whole genome sequencing of 2 MAC-infected dogs identified a codon deletion in the CARD9 gene (c.493_495del; p.Lys165del). Genotyping of Miniature Schnauzers revealed the presence of this mutant CARD9 allele worldwide, and all tested MAC-infected dogs were homozygous mutants. Peripheral blood mononuclear cells from a dog homozygous for the CARD9 variant exhibited a dysfunctional CARD9 protein with impaired TNF-α production upon stimulation with the fungal polysaccharide β-glucan that activates the CARD9-coupled C-type lectin receptor, Dectin-1. While CARD9-deficient knockout mice are susceptible to experimental challenges by fungi and mycobacteria, Miniature Schnauzer dogs with systemic MAC susceptibility represent the first spontaneous animal model of CARD9 deficiency, which will help to further elucidate host defense mechanisms against mycobacteria and fungi and assess potential therapies for animals and humans.
Multi-cohort study on cytokine and chemokine profiles in the progression of COVID-19
Authors: Huang Chaolin , Hu Xujuan , Wang Delong , Gong Rui , Wang Qiongya , Ren Fuli , Wu Yuanjun , Chen Juan , Xiong Xianglian , Li Huadong , Wang Qian , Long Gangyu , Zhang Dingyu , Han Yang
Published: May 2024

Various substances in the blood plasma serve as prognostic indicators of the progression of COVID-19. Consequently, multi-omics studies, such as proteomic and metabolomics, are ongoing to identify accurate biomarkers. Cytokines and chemokines, which are crucial components of immune and inflammatory responses, play pivotal roles in the transition from mild to severe illness. To determine the relationship between plasma cytokines and the progression of COVID-19, we used four study cohorts to perform a systematic study of cytokine levels in patients with different disease stages. We observed differential cytokine expression between patients with persistent-mild disease and patients with mild-to-severe transformation. For instance, IL-4 and IL-17 levels significantly increased in patients with mild-to-severe transformation, indicating differences within the mild disease group. Subsequently, we analysed the changes in cytokine and chemokine expression in the plasma of patients undergoing two opposing processes: the transition from mild to severe illness and the transition from severe to mild illness. We identified several factors, such as reduced expression of IL-16 and IL-18 during the severe phase of the disease and up-regulated expression of IL-10, IP-10, and SCGF-β during the same period, indicative of the deterioration or improvement of patients’ conditions. These factors obtained from fine-tuned research cohorts could provide auxiliary indications for changes in the condition of COVID-19 patients.
Levels of anti-topoisomerase I antibody correlated with short onset of cardiopulmonary involvement in Thai systemic sclerosis patients
Authors: Mulalin Kamonwan , Mahakkanukrauh Ajanee , Suwannaroj Siraphop , Pongkulkiat Patnarin , Onchan Tippawan , Kasa Sawinee , Foocharoen Chingching
Published: May 2024

Anti-topoisomerase-I antibody (ATA) is associated with disease severity and internal organ involvement in patients with systemic sclerosis (SSc). The correlation between ATA levels and the clinical course of SSc is unclear. We aimed to determine the correlation between ATA level and survival time and the onset of internal organ fibrosis in SSc patients. This historical cohort study was conducted in adult SSc patients with quantitative tests of ATA between January 2019 and December 2022. Patients with overlap syndrome and no quantitative ATA test were excluded. According to the sample size calculation, and 10% compensated for missing data, a total of 153 patients were needed. The respective mean age on the study date and median ATA level was 59.9 ± 11.3 years and 370 U/mL (range 195–652). Most cases (107 cases; 69.9%) were the diffuse cutaneous SSc subset. According to a multivariable analysis, the ATA titer had a negative correlation with the onset of cardiac involvement (Rho − 0.47, p = 0.01), and had a positive correlation with skin thickness progression (Rho 0.39, p = 0.04). Eleven cases exhibited ATA levels < 7 U/mL and outlier ATA levels were excluded, 142 cases were included in the sensitivity analysis, and multivariable analysis showed the correlation between early onset of ILD and cardiac involvement (Rho − 0.43, p = 0.03 and Rho − 0.51, p = 0.01, respectively). The ATA level was correlated with neither the survival time nor the onset of renal crisis in both analyses. High ATA levels were correlated with a short onset of ILD and cardiac involvement and the presence of extensive skin tightness. Quantitative tests of ATA could serve as an effective tool for identifying patients at risk of an unfavorable prognosis.
Gefitinib metabolism-related lncRNAs for the prediction of prognosis, tumor microenvironment and drug sensitivity in lung adenocarcinoma
Authors: Guo Zishun , Zhang Xin , Yang Dingtao , Hu Zhuozheng , Wu Jiajun , Zhou Weijun , Wu Shuoming , Zhang Wenxiong
Published: May 2024

The complete compound of gefitinib is effective in the treatment of lung adenocarcinoma. However, the effect on lung adenocarcinoma (LUAD) during its catabolism has not yet been elucidated. We carried out this study to examine the predictive value of gefitinib metabolism-related long noncoding RNAs (GMLncs) in LUAD patients. To filter GMLncs and create a prognostic model, we employed Pearson correlation, Lasso, univariate Cox, and multivariate Cox analysis. We combined risk scores and clinical features to create nomograms for better application in clinical settings. According to the constructed prognostic model, we performed GO/KEGG and GSEA enrichment analysis, tumor immune microenvironment analysis, immune evasion and immunotherapy analysis, somatic cell mutation analysis, drug sensitivity analysis, IMvigor210 immunotherapy validation, stem cell index analysis and real-time quantitative PCR (RT-qPCR) analysis. We built a predictive model with 9 GMLncs, which showed good predictive performance in validation and training sets. The calibration curve demonstrated excellent agreement between the expected and observed survival rates, for which the predictive performance was better than that of the nomogram without a risk score. The metabolism of gefitinib is related to the cytochrome P450 pathway and lipid metabolism pathway, and may be one of the causes of gefitinib resistance, according to analyses from the Gene Set Enrichment Analysis (GSEA), Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG). Immunological evasion and immunotherapy analysis revealed that the likelihood of immune evasion increased with risk score. Tumor microenvironment analysis found most immune cells at higher concentrations in the low-risk group. Drug sensitivity analysis found 23 sensitive drugs. Twenty-one of these drugs exhibited heightened sensitivity in the high-risk group. RT-qPCR analysis validated the characteristics of 9 GMlncs. The predictive model and nomogram that we constructed have good application value in evaluating the prognosis of patients and guiding clinical treatment.
Application of digital twins for simulation based tailoring of laser induced graphene
Authors: Santos-Ceballos José Carlos , Salehnia Foad , Romero Alfonso , Vilanova Xavier
Published: May 2024

In the era of man–machine interfaces, digital twins stand as a key technology, offering virtual representations of real-world objects, processes, and systems through computational models. They enable novel ways of interacting with, comprehending, and manipulating real-world entities within a virtual realm. The real implementation of graphene-based sensors and electronic devices remains challenging due to the integration complexities of high-quality graphene materials with existing manufacturing processes. To address this, scalable techniques for the in-situ fabrication of graphene-like materials are essential. One promising method involves using a CO2 laser to convert polyimide into graphene. Optimizing this graphitization process is hindered by complex parameter interactions and nonlinear terms. This article explores how these digital replicas can enhance the fabrication of laser-induced graphene (LIG) through laser simulation and machine learning methods to enable rapid single-step LIG patterning. This approach aims to create a universal simulation for all CO2 lasers, calculating optical energy flux and utilizing machine learning to control and predict LIG conductivity (ability to conduct current), morphology, and electrical resistance. The proposed procedure, integrating digital twins in the LIG production process, will avoid or reduce the preliminary tests required to determine the proper laser parameters to reach the desired LIG characteristics. Accordingly, this approach will reduce the time and costs associated with these tests and thus increase the efficiency and optimize the procedure.
Deep learning for high-resolution seismic imaging
Authors: Ma Liyun , Han Liguo , Feng Qiang
Published: May 2024

Seismic imaging techniques play a crucial role in interpreting subsurface geological structures by analyzing the propagation and reflection of seismic waves. However, traditional methods face challenges in achieving high resolution due to theoretical constraints and computational costs. Leveraging recent advancements in deep learning, this study introduces a neural network framework that integrates Transformer and Convolutional Neural Network (CNN) architectures, enhanced through Adaptive Spatial Feature Fusion (ASFF), to achieve high-resolution seismic imaging. Our approach directly maps seismic data to reflection models, eliminating the need for post-processing low-resolution results. Through extensive numerical experiments, we demonstrate the outstanding ability of this method to accurately infer subsurface structures. Evaluation metrics including Root Mean Square Error (RMSE), Correlation Coefficient (CC), and Structural Similarity Index (SSIM) emphasize the model's capacity to faithfully reconstruct subsurface features. Furthermore, noise injection experiments showcase the reliability of this efficient seismic imaging method, further underscoring the potential of deep learning in seismic imaging.
SUMOylated Golgin45 associates with PML-NB to transcriptionally regulate lipid metabolism genes during heat shock stress
Authors: Jing Shuaiyang , Gao Jingkai , Tiwari Neeraj , Du Yulei , Zhu Lianhui , Gim Bopil , Qian Yi , Yue Xihua , Lee Intaek
Published: May 2024

Golgin tethers are known to mediate vesicular transport in the secretory pathway, whereas it is relatively unknown whether they may mediate cellular stress response within the cell. Here, we describe a cellular stress response during heat shock stress via SUMOylation of a Golgin tether, Golgin45. We found that Golgin45 is a SUMOylated Golgin via SUMO1 under steady state condition. Upon heat shock stress, the Golgin enters the nucleus by interacting with Importin-β2 and gets further modified by SUMO3. Importantly, SUMOylated Golgin45 appears to interact with PML and SUMO-deficient Golgin45 mutant functions as a dominant negative for PML-NB formation during heat shock stress, suppressing transcription of lipid metabolism genes. These results indicate that Golgin45 may play a role in heat stress response by transcriptional regulation of lipid metabolism genes in SUMOylation-dependent fashion.
Prevalence of burnout among healthcare professionals: a survey at fort portal regional referral hospital
Authors: Batanda Ian
Published: May 2024

The work environment in most hospitals is characterised by activities that are strenuous both physically and mentally. These can result in physical and mental exhaustion, which can lead to burnout if not adequately addressed. Burnout among healthcare professionals can negatively affect their clinical decision-making, quality of communication with patients and colleagues as well as their ability to cope with work-related pressure, and ultimately affect the quality of care and patient outcomes. The inclusion of burnout in the 11th revision of the International Classification of Diseases (ICD-11) as an occupational phenomenon indicates that it is an issue of concern in the workplace for which people may need professional attention. This descriptive cross-sectional survey aimed to determine the point prevalence of burnout among healthcare professionals at Fort Portal Regional Referral Hospital and the factors contributing to burnout. The study also evaluated the linear relationship between the age of workers, their work duration at the hospital, and their burnout score, in addition to the possible impact on patient care. Participants were selected from the hospital WhatsApp group and invitations to participate were sent to their individual accounts. Burnout was assessed using the Copenhagen Burnout Inventory. Generally, burnout scores ranged from 16% to 86%, with an overall mean burnout score of 57.4%. The notable factors contributing to burnout included imbalances in duty allocation, physically strenuous work, and resource constraints. Burnout of varying levels was found to be prevalent across all carders in the hospital, although the results indicate that most healthcare professionals experience moderate burnout. Most of the factors contributing to burnout are within the scope of hospital leadership to address. The possible impact on staff performance and patients’ clinical outcomes is speculative, and additional studies are required.
Tunable biomimetic materials elaborated by ice templating and self-assembly of collagen for tubular tissue engineering
Authors: Martinier Isabelle , Fage Florian , Kakar Alshaba , Castagnino Alessia , Saindoy Emeline , Frederick Joni , Onorati Ilaria , Besnard Valérie , Barakat Abdul I. , Dard Nicolas , Martinod Emmanuel , Planes Carole , Trichet Léa , Fernandes Francisco M.
Published: May 2024

Synthetic tubular grafts currently used in clinical context fail frequently, and the expectations that biomimetic materials could tackle these limitations are high.
The effectiveness of probiotics as an adjunct therapy in patients under mechanical ventilation: an umbrella systematic review and meta-analysis
Authors: Anvarifard Paniz , Anbari Maryam , Ghalichi Faezeh , Ghoreishi Zohreh , Zarezadeh Meysam
Published: May 2024

Probiotics' role in critically ill, mechanically ventilated patients is unclear; therefore, we conducted an umbrella systematic review and meta-analysis to clarify probiotics' effects on clinical outcomes.
A triphenylamine functionalized photosensitizer as a promising candidate for osteosarcoma cancer phototheranostics
Authors: Yin Chongchong , Bao Xiaowen , Li Jiaqi , Zhu Jianwei , Sui Jisheng
Published: May 2024

Osteosarcoma is a malignant tumor affecting an increasing number of individuals worldwide.
Analytical description of elastocapillary membranes held by needles
Authors: Farago Jean , Drenckhan-Andreatta Wiebke
Published: May 2024

Fluid objects bounded by elastocapillary membranes display intriguing physical properties due to the interplay of capillary and elastic stresses arising upon deformation.
Methyl-β-cyclodextrin asymmetrically extracts phospholipid from bilayers, granting tunable control over differential stress in lipid vesicles
Authors: Reagle Tyler , Xie Yuxin , Li Zheyuan , Carnero Warner , Baumgart Tobias
Published: May 2024

In this study, we show that complexation between methyl-β-cyclodextrin and phospholipids can be leveraged to control the lipid asymmetry of synthetic vesicles. Additionally, we propose a modified equilibrium model for mbCD–lipid complexation.
Preparation and utilization of carbon dots as a nanoprobe for sensitive detection of tartrazine and palladium (ii)
Authors: Liu Kai-Qi , Wang Zhong-Xia , Li Feng , Li Heng-Ye , Wang Wei
Published: May 2024

A novel green and eco-friendly carbon-based nanoprobe was developed for dual-channel analysis of tartrazine (Trz) and Pd(ii) involving, respectively, fluorescence resonance energy transfer (FRET) and electron transfer mechanisms.
Deep eutectic solvent-assisted synthesis of La–Ce hybrid nanorods for the colorimetric determination of tetracycline in foods
Authors: An Kaigang , Li Xin , Chen Jia , Zhang Shuang , Xiao Jing , Wang Qing , Qiu Hongdeng
Published: May 2024

In this work, deep eutectic solvents were synthesized using l-threonine and cerium nitrate, and later lanthanum nitrate was doped to synthesize peroxidase-like La–Ce hybrid nanorods for the detection of tetracycline in milk, pork and honey.
Gases and gas-releasing materials for the treatment of chronic diabetic wounds
Authors: Ye Shuming , Jin Neng , Liu Nan , Cheng Feixiang , Hu Liang , Zhang Guiyang , Li Qi , Jing Juehua
Published: May 2024

This article reviews the latest progress in the mechanism and treatment of different gases and related gas releasing materials in diabetic wound repair.
Mesoporous supraparticles with a tailored solid–liquid–gas interface for visual indication of H2 gas and NH3 vapours
Authors: Zink Andreas , Reichstein Jakob , Ruhland Nico , Stockinger Nina , Morozov Boris S. , Cuadrado Collados Carlos , Thommes Matthias , Kataev Evgeny A. , Wintzheimer Susanne , Mandel Karl
Published: May 2024

Dual-gasochromic supraparticles hosting a tailor-made solid–liquid–gas interface within their mesoporous framework are reported. They make hazardous H2 gas and NH3 vapours visible for the naked eye by undergoing rapid gas-specific colour changes.
A simple and efficient synthesis of a series ofN-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties
Authors: Shaiwale Mayuri , Som Narayan N. , Jha Prafulla K. , Ballabh Amar
Published: May 2024

A novel class ofN-(thiazol-2-yl)piperidine-2,6-dione-based NLO materials and their structure–property correlations are reported.
Accelerating interfacial charge transfer and photocatalytic activity of a Z-scheme Zn-MOF/GO heterojunction towards the removal of Cr(vi) and methylene blue
Authors: Chen Qiang , Zhao Chenzhu , Li Xusheng , Liu Hua , Chen Jiao , Li Quanquan , Liu Ping , Wang Yaoyu
Published: May 2024

We developed a novel Z-scheme Zn-MOF/GO heterojunction as an environmentally friendly, reusable, and highly efficient visible-light-induced photocatalyst for methylene blue (Mb) decoloration and/or Cr(vi) reduction.
Elucidating the degradation mechanism of the nerve agent A-234 using various detergents: a theoretical investigation
Authors: Shi Rongxin , Zhang Lin , Ma Denghui , Cao Zexing
Published: May 2024

The detergent combination of H2O2/NH3 is predicted to have the highest detoxification efficiency toward A-234, where the timely-formed hydrogen-bond network between the detergent combination and A-234 improves the decontamination efficiency.
Encapsulation of charged halogens by the 512 water cage
Authors: Gómez Sara , Flórez Elizabeth , Acelas Nancy , Cappelli Chiara , Hadad Cacier , Restrepo Albeiro
Published: May 2024

This study focuses on the encapsulation of the entire series of halides by the 512 cage of twenty water molecules and on the characterization of water to water and water to anion interactions.
Non-steady state validation of kinetic models for ethylene epoxidation over silver catalysts
Authors: Brandão Lilliana , Reece Christian
Published: May 2024

A two-site kinetic model for ethylene epoxidation most accurately recreates the selectivity trends observed during transient pressure pulse experiments of ethylene over oxidized silver.
Mechanism for Cu-enhanced hydrothermal stability of Cu–CHA for NH3-SCR
Authors: Singh Shivangi , Janssens Ton V. W. , Grönbeck Henrik
Published: May 2024

The presence of Cu delays dealumination of CHA zeolites when exposed to water at high temperatures.
An electron beam irradiation-assisted coating method for the regulation of hydrophilicity and hydrophobicity
Authors: Li Haozhe , Sheng Keyan , Chen Zhiyan , Hao Shuai , Zhou Zijian , Zhang Zhenyi , Liu Xinwen , Xiong Mianzhi , Gu Yanlong , Huang Jiang
Published: May 2024

Multi-level electron beam irradiation enabled bifunctional gradient grafting on silicon microspheres and rapid curing of silicone rubber coatings, allowing linear control of hydrophilicity and hydrophobicity.
The role of the milling environment on the copper-catalysed mechanochemical synthesis of tolbutamide
Authors: Floyd Kathleen , Gonnet Lori , Friščić Tomislav , Batteas James
Published: May 2024

Under controlled atmospheres the mechanochemical synthesis of tolbutamide is catalysed by Cu(ii), with CuCl acting as a pre-catalyst, activated via aerobic oxidation under milling. Use of aluminum jars results in mechanoinhibition of this process.
Nanoscale visualization of phase separation in binary supported lipid monolayer using tip-enhanced Raman spectroscopy
Authors: Pandey Yashashwa , Ingold Andrea , Kumar Naresh , Zenobi Renato
Published: May 2024

Nanoscale phase separation in a d62-DPPC : DOPC lipid monolayer is visualized in a label-free and non-destructive manner using hyperspectral tip-enhanced Raman spectroscopy imaging.
Core-softened colloid under extreme geometrical confinement
Authors: Krott Leandro B. , Puccinelli Thiago , Bordin José Rafael
Published: May 2024

Using molecular dynamics simulations, we investigate how core-softened colloids respond to extreme confinement, identifying a mono-to-bilayer transition and highlighting the emergence of the square phase.
Utilization of CO2-captured poly(allylamine) as a polymer surfactant for nanoarchitecture production in a closed CO2 cycle
Authors: Yoshida Eri
Published: May 2024

In the closed loop of the CO2 cycle, poly(allylamine) (PAA) captures CO2 as carbonic acid in water and then undergoes partial ion exchange to convert into a polymer surfactant, which self-assembles into nanoarchitectures.
Constructing Z-scheme WO3/C3N4 heterojunctions with an enlarged internal electric field and accelerated water oxidation kinetics for robust CO2 photoreduction
Authors: Song Zhijia , Chen Qian , Sun Zhiwei , Chang Kuan , Xie Zhaoxiong , Kuang Qin
Published: May 2024

The enlarged internal electric field and accelerated H2O oxidation kinetics synergically enhance the CO2 photoreduction activity of Z-scheme WO3/C3N4 heterojunctions.
Chemically driven dimensionality modulation of hybrid tin(ii) halide perovskite microcrystals
Authors: Sánchez-Alarcón Raúl I. , Solís Omar E. , Momblona-Rincon María Cristina , Ripolles Teresa S. , Martínez-Pastor Juan P. , Abargues Rafael , Boix Pablo P.
Published: May 2024

Synthesis conditions determine the dimensionality of TEA–Sn perovskites from low emissive 2D structures to highly luminescent 0D structures. Br-derivatives can be tuned to form 0D and 2D structures, 0D Cl and 2D I-based cannot be dimensional tuned.
Iridium complex modified MOFs for enhancing photocatalytic hydrogen evolution
Authors: Wang Yue , Huang Yifan , Liu Shihan , Cui Shuaichuan , Zhang Yifan , Deng Pengyang
Published: May 2024

A novel iridium complex modified MOF was designed, which enhances the photocatalytic activity of MOFs by 2.5 times with only 0.2% of iridium complex, and exhibits good stability. It can be conductive to efficient and stable photocatalysis.
Distributed auto disturbances rejection resilient control of permanent magnetic maglev trains based on the optimized deep deterministic policy gradient algorithm
Authors: Guo Zhen‐yu , Li Zhong‐qi
Published: May 2024

Due to time‐varying external disturbances and uncertain system models, distributed cooperative controllers with poor adaptability are unable to meet the cooperative control requirements of multiple permanent magnetic maglev trains in virtual coupling mode. In this work, a new effective distributed auto disturbance rejection resilient controller based on the optimized deep deterministic policy gradient algorithm (DDPG) is proposed. The DDPG algorithm is used to improve the adaptability of the controller against the time‐varying disturbances. An adaptive particle swarm optimization method (APSO) is also proposed to optimize the hyperparameters of DDPG in the search space. The simulation results show that, compared to the particle swarm optimization (PSO)‐actor‐critic (AC), PSO‐policy gradient (PG), and PSO‐DDPG algorithms, the proposed APSO‐DDPG algorithm performs better during training and verification. The proposed method achieves adaptive online adjustment of the controller parameters effectively and greatly improves the stability of cooperative control.
Bookkeeping, a new logbook system for ALICE
Authors: Boulais Martin , Raduta George C. , Huijberts Jik
Published: May 2024

The ALICE experiment at CERN’s Large Hadron Collider is designed to study the physics of strongly interacting matter at extreme energy densities, where a quark-gluon plasma is expected to be formed. After a major upgrade, the new ALICE Online-Offline computational system expects to read an estimated throughput of 3.5TB/s of raw data and store and index 900Gb/s reconstructed data. The complexity of this endeavour implies the need for a well-developed and integrated logbook platform, able to keep track of the experiment’s activities and readily provide a history state of the system. The Bookkeeping application has been developed as part of the new ALICE Online graphical interfaces suite and allows users to insert, filter, track, and search system updates. Bookkeeping plays a central role in its integration with other components, which need to either read or update the system state. Furthermore, it builds global and individual system performance statistics which in turn help improve the overall efficiency of the experiment. This paper introduces the new Bookkeeping platform, it showcases its functionalities and purpose, details the means that have been put in place to fulfil all the requirements and presents an overview of its use during the first year of ALICE Run 3 data taking.
Event and data persistency models for the LHCb Real Time Analysis System
Authors: De Cian Michel , Esen Sevda , Hennequin Arthur , Vilasís-Cardona Xavier
Published: May 2024

Starting in 2022, the upgraded LHCb detector is collecting data with a pure software trigger. In its first stage, reducing the rate from 30MHz to about 1MHz, GPUs are used to reconstruct and trigger on B and D meson topologies and high-pT objects in the event. In its second stage, a CPU farm is used to reconstruct the full event and perform candidate selections, which are persisted for offline use with an output rate of about 10GB/s. Fast data processing, flexible and custom-designed data structures tailored for SIMD architectures and efficient storage of the intermediate data at various steps of the processing pipeline onto persistent media, e.g. tapes is essential to guarantee the full physics program of LHCb. We present the event model and data persistency developments for the trigger of LHCb in Run 3. Particular emphasis is given to the novel software-design aspects with respect to the Run 1+2 data taking, the performance improvements which can be achieved and the experience of restructuring a major part of the reconstruction software in a large HEP experiment.
Integrating FTS in the Fenix HPC Infrastructure
Authors: Long Shiting , Pleiter Dirk , Patrascoiu Mihai , Padrin Cristiano , Carpene Michele , More Sergi , Carpio Miguel
Published: May 2024

As compute requirements in experimental high-energy physics are expected to significantly increase, there is a need for leveraging high-performance computing (HPC) resources. However, HPC systems are currently organised and operated in a way that this is not easily possible. Here we will focus on a specific e-infrastructure that incorporates HPC resources, namely Fenix, which is based on a consortium of 6 leading European supercomputing centres. Fenix was initiated through the Human Brain Project (HBP) but also provides resources to other research communities in Europe. The Fenix sites are integrated into a common AAI and provide a so-called Archival Data Repository that can be accessed through a Swift API.

In this paper, we report on our efforts to realise a data transfer service that allow to exchange data with the Fenix e-infrastructure. This has been enabled by implementing support of Swift in FTS3 and related software components. We will, in particular, discuss how FTS3 has been integrated into the Fenix AAI, which largely follows the architectural principles of the European Open Science Cloud (EOSC). Furthermore, we show how end-users can use this service through a WebFTS service that has been integrated into the science gateway of the HBP, which is also known as the HBP Collaboratory. Finally, we discuss how transfer commands can be automatically distributed over several FTS3 instances to optimise transfer between different Fenix sites.
New XrootD Monitoring Implementation
Authors: Garrido Borja , Andreeva Julia , Weitzel Derek , Forti Alessandra , McKee Shawn
Published: May 2024

Complete and reliable monitoring of the WLCG data transfers is an important condition for effective computing operations of the LHC experiments. WLCG data challenges organized in 2021 and 2022 highlighted the need for improvements in WLCG data traffic monitoring. In particular, it concerns the implementation of remote data access monitoring via the root protocol. It includes data access to native XRootD storage, as well as to other storage solutions. We refer to it as XRootD monitoring. This contribution describes the new implementation of the XRootD monitoring flow, the overall architecture, the deployment scenario, and the integration with the WLCG global monitoring system.
Overview of the distributed image processing infrastructure to produce the Legacy Survey of Space and Time
Authors: Hernandez Fabio , Beckett George , Clark Peter , Doidge Matt , Jenness Tim , Karavakis Edward , Le Boulc’h Quentin , Love Peter , Mainetti Gabriele , Noble Timothy , White Brandon , Yang Wei
Published: May 2024

The Vera C. Rubin Observatory is preparing to execute the most ambitious astronomical survey ever attempted, the Legacy Survey of Space and Time (LSST). Currently the final phase of construction is under way in the Chilean Andes, with the Observatory’s ten-year science mission scheduled to begin in 2025. Rubin’s 8.4-meter telescope will nightly scan the southern hemisphere collecting imagery in the wavelength range 320–1050 nm covering the entire observable sky every 4 nights using a 3.2 gigapixel camera, the largest imaging device ever built for astronomy. Automated detection and classification of celestial objects will be performed by sophisticated algorithms on high-resolution images to progressively produce an astronomical catalog eventually composed of 20 billion galaxies and 17 billion stars and their associated physical properties.

In this article we present an overview of the system currently being constructed to perform data distribution as well as the annual campaigns which reprocess the entire image dataset collected since the beginning of the survey. These processing campaigns will utilize computing and storage resources provided by three Rubin data facilities (one in the US and two in Europe). Each year a Data Release will be produced and disseminated to science collaborations for use in studies comprising four main science pillars: probing dark matter and dark energy, taking inventory of solar system objects, exploring the transient optical sky and mapping the Milky Way.

Also presented is the method by which we leverage some of the common tools and best practices used for management of large-scale distributed data processing projects in the high energy physics and astronomy communities. We also demonstrate how these tools and practices are utilized within the Rubin project in order to overcome the specific challenges faced by the Observatory.
Query Service for New ATLAS EventIndex System
Authors: Rybkin Grigory
Published: May 2024

The ATLAS EventIndex system consists of the catalogue of all events collected, processed or generated by the ATLAS experiment at the CERN LHC accelerator, and all associated software tools. The new system, developed for LHC Run 3, makes use of Apache HBase—the Hadoop database—and Apache Phoenix—an SQL/relational database layer for HBase—to store and access all the event metadata. The Query Service allows searches for and retrieval of information of interest. Its design is based on a server-client architecture with the sides communicating via a RESTful API. The OpenAPI Specification is used to describe the API and generate parts of the source code of the server and client. Based on selection criteria received from the client, the server executes SQL queries against the Phoenix tables, retrieves the data, and returns it to the client. The client—a command line utility following the UNIX/POSIXconforming program design style—can output results in various formats including plain text and JSON. The server and the client are developed in Java 8, with the use of the Jersey 2 JAX-RS API implementation and the Spring Framework. The service performance is suitable for interactive use with queries for up to 1000 events at a time.
ATLAS Liquid Argon Calorimeter Commissioning for LHC Run-3
Authors: Furukawa Marin
Published: May 2024

The Liquid Argon calorimeter of the ATLAS detector provides inputs to the ﬁrst level of the ATLAS trigger. After the successful period of data-taking during the second run of the LHC (Run-2) the ATLAS detector entered into a long period of shutdown. In 2022 the LHC has started a new data taking period Run-3. During the Run-3 period (2022 ­ 2025), it expects to have higher luminosity than Run-2 with pile-up of up to 80 interactions per bunch crossing.

To cope with these harsh conditions, a new trigger readout system has been installed during the long shutdown. The new system should improve the triggering performances for electromagnetic objects signiﬁcantly. This will be achieved by increasing the granularity of the readout system available at triggerlevel by up to a factor of ten. This new trigger system is currently undergoing commissioning in order to become the main LAr trigger readout in 2023.

This contribution will present the current status of the Liquide Argon Calorimeter system and the commissioning to be completed towards the full operation of the new trigger readout system for Run-3 of the LHC.
Commissioning of the ALICE readout software for LHC Run 3
Authors: Chapeland Sylvain
Published: May 2024

ALICE (A Large Ion Collider Experiment) is a heavy-ion detector studying the physics of strongly interacting matter and the quarkgluon plasma at the CERN LHC (Large Hadron Collider). During the second long shut-down of the LHC, the ALICE detector was upgraded to cope with an interaction rate of 50 kHz in Pb-Pb collisions, producing in the online computing system (O2) a sustained input throughput of 3.5 TB/s.

In the past years, the O2/FLP project built the new data-acquisition system capable of handling this load. It consists of 200 readout nodes, collecting the data transferred from over 8000 detector links to PCs memory by dedicated PCI boards. The readout software manages the hardware and software memory buffers used for DMA and inter-process communication. It initiates the data flow, performs on-the-fly consistency checks, formats the data, reports performance, and finally pushes the data to the local processing pipeline. The output is then sent by the data distribution software over 100Gb/s links to a dedicated event processing farm.

The readout software modular design allowed to address the manifold needs faced during the prototyping, installation and commissioning phases, which proved essential from the lab tests to physics production, like file replay and recording, or online multi-threaded LZ4 compression.

We will describe the hardware and software implementation of the O2readout system, and review the challenges met during the commissioning and first months of operation with LHC collisions in 2022.
Reconstructing jets in the Phase-2 upgrade of the CMS Level-1 Trigger with a seeded cone algorithm
Authors: Summers Sioni , Bestintzanos Ioannis , Petrucciani Giovanni
Published: May 2024

The Phase-2 Upgrade of the CMS Level-1 Trigger (L1T) will reconstruct particles using the Particle Flow algorithm, connecting information from the tracker, muon, and calorimeter detectors, and enabling fine-grained reconstruction of high level physics objects like jets. We have developed a jet reconstruction algorithm using a cone centred on an energetic seed from these Particle Flow candidates. The implementation is designed to find up to 16 jets in each Xilinx Ultrascale+ FPGA, with a latency of less than 1 µs, and event throughput of 6.7 MHz to fit within the L1T system constraints. Pipelined processing enables reconstruction of jet collections with different cone sizes for little additional resource cost. The design of the algorithm also provides a platform for additional computation using the jet constituents, such as jet tagging using neural networks. We will describe the implementation, its jet reconstruction performance, computational metrics, and the developments towards jet tagging.
The new ALICE data acquisition system (O2/FLP) for LHC Run 3
Authors: Barroso Vasco , Alexopoulos Konstantinos , Boulais Martin , Chapeland Sylvain , Costa Filippo , Divià Roberto , Fuchs Ulrich , Guyot Claire , Huijberts Jik , Konopka Piotr , Legrand Iosif-Charles , Mrnjavac Teo , Raduta George , Wegrzynek Adam , Vande Vyvre Pierre , von Haller Barthélémy
Published: May 2024

ALICE (A Large Ion Collider Experiment) has undertaken a major upgrade during the LHC Long Shutdown 2. The increase in the detector data rates led to a hundredfold increase in the input raw data, up to 3.5 TB/s. To cope with it, a new common Online and Offline computing system, called O2, has been developed and put in production. The O2/FLP (First Level Processor) system, successor of the ALICE DAQ system, implements the critical functions of detector readout, data quality control and operational services running in the CR1 data centre at the experimental site. Data from the 15 ALICE subdetectors are read out via 8000 optical links by 500 custom PCIe cards hosted in 200 nodes. It addresses novel challenges such as the continuous readout of the TPC detector while keeping compatibility with legacy detector front-end electronics. This paper discusses the final architecture and design of the O2/FLP system and provides an overview of all its components, both hardware and software. It presents the selection process for the FLP nodes, the different commissioning steps and the main accomplishments so far. It will conclude with the challenges that lie ahead and how they will be addressed.
DUNE Database Development
Authors: Vizcaya Hernandez Ana Paula , Gerlach Lino
Published: May 2024

The DUNE experiment will produce vast amounts of metadata, which describe the data coming from the read-out of the primary DUNE detectors. Various databases will make up the overall DB architecture for this metadata. ProtoDUNE at CERN is the largest existing prototype for DUNE and serves as a testing ground for - among other things - possible database solutions for DUNE. The subset of all metadata that is accessed during offline data reconstruction and analysis is referred to as ‘conditions data’ and it is stored in a dedicated database. As offline data reconstruction and analysis will be deployed on HTC and HPC resources, conditions data is expected to be accessed at very high rates. It is therefore crucial to store it in a granularity that matches the expected access patterns allowing for extensive caching. This requires a good understanding of the sources and use cases of conditions data. This contribution will briefly summarize the database architecture deployed at ProtoDUNE and explain the various sources of conditions data. We will present how the conditions data is retrieved and streamed from the databases and how it is handled to match expected access patterns.