bluuebunny/crossref_metadata_2025 huggingface dataset:
Insights into the Evolution of Ancient Shark and Ray Sex Chromosomes
Authors: Lee Szu-Hsuan , Fedrigo Olivier , Soler-Clavel Léa , Humble Emily , Lesturgie Pierre , Balacco Jennifer , O'Toole Brian , Mountcastle Jacquelyn , Haase Bettina , Brajuka Nadolina , Jain Nivesh , Tracey Alan , Absolon Dominic E. , Pelan Sarah , Pointon Damon-Lee , Wood Jonathan M. D. , Rhie Arang , Macqueen Daniel J. , Howe Kerstin , Jarvis Eric , Naylor Gavin J. P.
Published: February 2025

While sex-determining mechanisms have been extensively characterized in many vertebrates, they have not been explored in chondrichthyan fishes until relatively recently. In the present study, we used high-quality whole genome reference assemblies to examine the putative sex chromosomes of 14 elasmobranch species spanning nine orders. We describe four newly assembled reference genomes belonging to the white sharkCarcharodon carcharias, the Atlantic stingrayHypanus sabinus, the smalltooth sawfishPristis pectinata, and the zebra sharkStegostoma tigrinum. We conducted sex chromosome identification and verification using short-read sequence data collected for multiple individuals for three of the species. This revealed putative pseudoautosomal regions (PARs) and, in one instance, a candidate sex chromosome reassignment. A synteny analysis revealed an ancient and shared origin of the chromosomes within elasmobranchs considerably older than any previously proposed scenario, and a potential candidate gene involved in sex determination shared across all examined species. The synteny analysis also revealed a historical fusion and the formation of neo-Y chromosomes between two myliobatiform species. Our results show that there has been strong conservation and homology of the X chromosomes among elasmobranchs in spite of their varied features and different evolutionary histories.
Influenza virus evolution and defective genome formation are shaped by host genotype and sex
Authors: Costa Rodrigo M. , Alvarez-Acosta Lehi , Curtis Kaili , Kelleher Justin , Lamichhane Bhawika S. , Valesano Andrew L. , Fitzsimmons William J. , Lauring Adam S. , Seger Jon , Adler Frederick R. , Potts Wayne K.
Published: February 2025

Host-specific factors, including genetic background and sex, shape viral adaptation and influence virulence, yet their interactions and quantitative effects remain poorly understood. Additionally, multiple infections, where a host is infected with viruses from more than one source, are hypothesized to enhance viral diversity and increase virulence, but their impact in vertebrate hosts remains largely unexplored. We experimentally adapted influenza A virus (IAV) to male and female BALB/c and C57BL/6 mice under single and multiple infection conditions. Using a novel three-dimensional mapping approach, we identified genotype- and sex-specific selection hotspots that drive viral adaptation at multiple scales, from localized substitutions to broader structural changes. Our findings reveal that host genotype plays a dominant role in shaping viral evolution, with sex-dependent selection patterns observed in certain contexts. In BALB/c-adapted viruses, selection favored mutations at a specific site of a protein interface in females, whereas male-adapted lineages exhibited a more diffuse distribution of mutations across the same region. We further demonstrate that host genotype influences the formation of defective viral genomes (DVGs), with C57BL/6-adapted viruses accumulating significantly more and longer deletions, leading to reduced cytopathic effect and altered virulence trajectories. Multiple infections accelerated viral adaptation, increasing replication and mortality in a host-dependent manner. Adaptation to BALB/c hosts selected for high-virulence variants that maintained pathogenicity across diverse host backgrounds, whereas C57BL/6-adapted viruses exhibited attenuated virulence in novel hosts. These findings highlight the role of host genotype and sex in shaping viral evolution, reveal a previously unrecognized host-specific effect on DVG formation, and provide insights into how multiple infections drive the emergence of virulence-associated variants.
Mammalian Uteri Contain a Diverse Virome: Insights from Healthy Mares
Authors: Guo Lulu , Holyoak G.Reed , DeSilva Udaya
Published: February 2025

The Earth's estimated 1031 virions, primarily phages, significantly impact microbial ecosystems. Despite their abundance, viromes remain relatively understudied. This is especially the case in domestic animals. Although recent studies have described the presence of a dynamic commensal microbiome in mammalian uteri, no studies have attempted to characterize the commensal virome in a mammalian uterus. In this study we have established for the first time the presence of a sparse, but diverse native virome in the equine uterus. The resulting virome database consists of 513 non-redundant viral genomes (>2 kb). Taxonomic annotations revealed a diverse virome dominated by Gammaretrovirus, Mamastrovirus, Sapovirus and Rosenblumvirus. Notably, 75% of the assembled genomes represented novel species. The phylogenetic tree unveiled distinct clades suggesting unexplored viral diversity with the uterine environment. Furthermore, bacterial hosts for equine uterine phages were predicted, aligning with previous studies' findings. Most notably, the study identified antibiotic resistance genes within the virome, hinting at potential gene transfer mechanisms between bacteria and viruses. This study establishes the first uterine virome of any mammal, shedding light on a previously unexplored domain. The findings highlight the potential for phage therapy in reproductive infectious diseases and the importance of understanding the maternal gestational environment. Moreover, the study underscores the need for further studies to expand the uterine viromes, paving the way to deeper understanding of uterine microbiome and its implications for animal and human health.
Distinct Clinical Phenotypes in KIF1A-Associated Neurological Disorders Result from Different Amino Acid Substitutions at the Same Residue in KIF1A
Authors: Rao Lu , Li Wenxing , Shen Yufeng , Chung Wendy , Gennerich Arne
Published: February 2025

KIF1A is a neuron-specific kinesin motor responsible for intracellular transport along axons. Pathogenic KIF1A mutations cause KIF1A-associated neurological disorders (KAND), a spectrum of severe neurodevelopmental and neurodegenerative conditions. While individual KIF1A mutations have been studied, how different substitutions at the same residue affect motor function and disease progression remains unclear. Here, we systematically examine the molecular and clinical consequences of mutations at three key motor domain residues-R216, R254, and R307-using single-molecule motility assays and genotype-phenotype associations. Our findings reveal that mutations at R216 and R254 produce residue-specific effects, with some substitutions partially retaining function, whereas R307 mutations universally abolish motility, likely due to its critical role in microtubule binding. Mutant motor properties correlate with developmental outcomes, with R307 mutations linked to the most sever impairments. These results demonstrate that even single-residue substitutions can lead to distinct molecular and clinical phenotypes, highlighting the finely tuned mechanochemical properties of KIF1A. By establishing residue-specific genotype-phenotype relationships, this work provides fundamental insights into KAND pathogenesis and informs targeted therapeutic strategies.
The impact of Intensive Care Strain on Patients Outcomes during COVID-19 - a UNITE COVID study
Authors: Kohler Katharina , De Corte Thomas , Greco Massimiliano , Povoa Pedro , Cecconi Maurizio , Ostermann Marlies , De Waele Jan , Conway Morris Andrew ,   UNITE-COVID investigators
Published: February 2025

Purpose: Intensive care unit (ICU) strain is associated with increased mortality. Most strain metrics focus on simple measures such as bed occupancy or admissions. There is limited data mitigation strategies, such as procedure teams or staff well-being services on strain, or the impact of increased patient-to-nurse ratios and non-ICU trained nurses working in ICU. Methods: Using the multi-national UNITE-COVID study, collecting data from ICUs on their busiest day in two periods (2020 and 2021) of the COVID-19 pandemic, we evaluated metrics of strain (Bed occupancy, patient: nurse ratio, use of non-ICU staff and shortages of consumables) and potential mitigators (procedural support teams and staff well-being interventions). We examined how these related to outcomes (mortality, complications and length of stay). Results: In both epochs, ICUs experienced significant strain, with ICU bed expansion to 133% and 163% respectively, whilst patient-to-nurse ratios increased by 0.4 and 0.3. Consumable shortages were widespread in 2020. Mortality was inversely correlated with staff well-being interventions in both epochs. Complications were inversely correlated with procedure support teams, and positively correlated with staffing ratios. In regression models, pressure sores were reduced in presence of support teams (p=0.004) and increased with the increase in patients per nurse (p=0.05) whilst unplanned extubations were related to non-ICU trained staff working in ICU(p = 0.02). Conclusions: COVID-19 induced ICU strain had effects beyond mortality, including increases in complications. Staff pressure and lack of ICU training were related to specific complications, whilst support teams and well-being interventions were associated with improved outcomes.
Age-Related Differences in the Choroid Plexus Structural Integrity Are Associated with Changes in Cognition
Authors: Gong Zhaoyuan , de Rouen Amgelique , Zhang Nathan , Alisch Joseph , Bilgel Murat , An Yang , Bae Jonghyun , Fox Noam , Guo Alex , Resnick Susan M , Mazucanti Caoi , klistorner samuel , Klistorner Alexander , Egan Josephine , Bouhrara Mustapha
Published: February 2025

The choroid plexus (CP) plays a critical role in maintaining central nervous system (CNS) homeostasis, producing cerebrospinal fluid, and regulating the entry of specific substances into the CNS from blood. CP dysfunction has been implicated in various neurological and psychiatric disorders, including Alzheimer's disease, Parkinson's disease, and multiple sclerosis. This study investigates the relationship between CP structural integrity and cognitive decline in normative aging, using structural and advanced magnetic resonance imaging techniques, including CP volume, diffusion tensor imaging indices (mean diffusivity, MD, and fractional anisotropy, FA) and relaxometry metrics (longitudinal, T1, and transverse, T2, relaxation times). Our results show that diminished CP microstructural integrity, as reflected by higher T1, T2, and MD values, or lower FA values, is associated with lower cognitive performance in processing speed and fluency. Notably, CP microstructural measures demonstrated greater sensitivity to cognitive decline than macrostructural measures, i.e. CP volume. Longitudinal analysis revealed that individuals with reduced CP structural integrity exhibit steeper cognitive decline over time. Furthermore, structural equation modeling revealed that a latent variable representing CP integrity predicts faster overall cognitive decline, with an effect size comparable to that of age. These findings highlight the importance of CP integrity in maintaining cognitive health and suggest that a holistic approach to assessing CP integrity could serve as a sensitive biomarker for early detection of cognitive decline. Further research is needed to elucidate the mechanisms underlying the relationship between CP structural integrity and cognitive decline and to explore the potential therapeutic implications of targeting CP function to prevent or treat age-related cognitive deficits.
Approaches for Interchannel EEG Analysis
Authors: van Drongelen Wim , Nordli Douglas R , Taha Mohamed , Nordli Douglas R.
Published: February 2025

Here, we present a novel analysis pipeline for scalp EEG signals. With our approach, we focus on the interchannel relationships using standard correlation techniques in the spatiotemporal and frequency domains as well as a recently developed triple correlation-based analysis. Since we compute correlations in multichannel EEG data, we employ (non-standard) bipolar montages with non-overlapping electrode positions to avoid montage-induced correlations in space-, time- and frequency domains. In addition to the correlation studies, we determine the EEG frequency components, phase-amplitude coupling and a burst index. The procedures are tested with simulated signals and illustrated with results obtained from a small patient group.
Functional connectivity in the social perception pathway at birth is linked with attention to faces at 4 months
Authors: Chawarska Katarzyna , Vernetti Angelina , Sun Huili , Hampson Michelle , Li Chenhao , Macari Suzanne , Powell Kelly , Constable Robert T , Chang Joseph , Ment Laura , Scheinost Dustin
Published: February 2025

Background. Processing faces and speech is supported by the right-lateralized social visual perception pathway (social pathway) involving medial temporal/visual 5 area (MT/V5) and superior temporal sulcus (STS). Little is known about development of the social pathway and its links with later social outcomes. We examined intrinsic functional connectivity (iFC) in the right social pathway in neurotypical neonates, compared it with iFC in the left social and bilateral dorsal attention pathways, and interrogated prospective links between iFC and social attention in neurodiverse neonates. Methods. iFC in the social and dorsal pathways was measured in 517 full-term neonates from the developing Human Connectome Project (dHCP) and 73 full-term Yale neonates [Mage=41.5 weeks (SD=1.9)]. Social attention was assessed in 36 Yale neonates at Mage=4.2 months (SD=0.4) months. Results. In the dHCP sample, the iFC indices were positive in all the pathways (all p-values < 0.001) and did not vary by sex [all p>0.275], but the iFC in the right-lateralized social pathway was higher than in the remaining pathways [all p<0.001] and was positively associated with age at scan [r(517)=0.251, p<0.011]. In the prospective neurodiverse Yale sample, the iFC in the right social pathway was positively associated with social attention at 4 months [p=0.007], and greater social attention at 4 months predicted better social functioning in the second year [p=0.010]. Conclusions. The early development of intrinsic functional connectivity in the right social perception pathway represents an area of interest for identifying neural mechanisms underlying emergence of atypical social attention associated with autism.
High-Throughput Centrifuge Force Microscopy Reveals Dynamic Immune-Cell Avidity at the Single-Cell Level
Authors: Bergal Hans T , Kinoshita Koji , Wong Wesley P
Published: February 2025

Cell-cell binding, mediated by the physical interactions of receptors and their ligands, plays a fundamental role in immune processes such as immune surveillance and T-cell activation. However, current approaches for measuring cell avidity often lack either throughput or quantitative precision. Here, we introduce a high-throughput approach for quantifying cell binding lifetimes and strength using a centrifuge force microscope (CFM)--a compact microscope operating within a standard benchtop centrifuge. The CFM enables live monitoring of single-cell interactions under force, conducting thousands of force experiments in parallel. To facilitate the real-time study of live cell interactions, we developed a next-generation CFM with multichannel fluorescence imaging capabilities. This system accommodates measurements in two modes: cell-protein binding and cell-cell avidity assays. Using this system, we investigated immune-cell binding mediated by Bispecific T-cell Engager (BiTE) molecules, a novel immunotherapy designed to enhance immune-cell targeting of cancer cells. In cell-protein assays, we quantified T- and B-cell unbinding from BiTE-functionalized surfaces, revealing receptor-specific relationships between ligand concentration and binding strength. In cell-cell assays, we examined BiTE-mediated binding of T-cells to Nalm6 B-cells, a precursor leukemia cell line, uncovering a strong, time-dependent increase in BiTE-mediated immune-cell avidity. By integrating high-throughput and quantitative single-cell force analysis, the CFM provides new insights into the dynamic nature of immunological interactions under force, with broad implications for immunotherapy and cellular mechanics.
Unraveling the distinct motion bias of TrkA-NGF complex in NGFR100W-driven HSAN V disease
Authors: Rahim Zahed Bin , Bashar Md Abul , Dash Nayan , Paul Supti , Ziad Rimsha , Mitra Sarmistha , Dash Raju
Published: February 2025

Nerve growth factor (NGF), which binds to tropomyosin-related kinase A (TrkA) receptor, plays essential roles in neuronal survival and function and is also a potent mediator of pain sensation. Mutations inNGF, particularly NGFR100W, cause hereditary sensory autonomic neuropathy V (HSAN V), which is characterized by insensitivity to pain but without impairment of neurotrophin function. Even though several studies reported the mechanism of growing HSAN V disease, the dynamic mechanisms that dictate its functional specificity remain unclear. In this study, we performed a microsecond scale molecular dynamics (MD) simulation to elucidate the changes in the structural dynamics of NGF by NGFR100Wat an atomic level to dissect the distinct motion bias for specific TrkA functions. We found that the NGFR100Wreduced NGF dimerization while its binding to the TrkA remained unchanged. NGFR100Wenhanced the magnitude of bond formation in the different regions from TrkA, which induced different correlated and dynamic motions associated with impaired nociceptive signaling. The dynamics scenario from this study, shedding light on the deleterious role of NGFR100W, provides new structural insights into the function-oriented dynamics motion of the TrkA-NGF complex, offering potential avenues for designing new therapeutics.
Growth hormone is required for hippocampal engram cell maturation
Authors: Kim Chang-Ho , Park HyoJin , Han Dae Hee , Hong Ilgang , Kim Yeonjun , Yu Nam-Kyung , Cho Jun , Kaang Bong-Kiun
Published: February 2025

Memory is thought to be stored in a sparse population of neurons or synapses 1. These neurons or synapses collectively termed the engram are necessary and sufficient for memory recall 2,3. Learning induces synaptic strengthening in engram cells at both pre- and postsynaptic sites 4,5. However, the critical time window and the molecule related to the induction of such synaptic changes are unknown. Here we show that the initial translation plays a key role in engram maturation by facilitating pre- and postsynaptic strengthening and that growth hormone (GH) is required to induce this process in the Dentate Gyrus. Using anisomycin, a protein synthesis inhibitor, we found that blocking the initial and the subsequent second wave of translation arrests the maturation of engram cells. Revisiting our hippocampal translatome during memory formation 6 proposed GH as a mediator of engram maturation. Overexpression of the dominant negative (G118R) GH blocked the maturation of the hippocampal engram cell 7. Facilitating activity-dependent GH uptake by injecting recombinant human GH (rhGH) into the animal rescued the arrestment caused by anisomycin. Together, our findings propose GH as a key mediator of hippocampal engram cell maturation.
A versatile cohesion manipulation system reveals CENP-A dysfunction accelerates female reproductive age-related egg aneuploidy.
Authors: Leem Jiyeon , Lemonnier Tom , Khutsaidze Ani , Tian Lei , Xing Xiaojun , Bai Suxia , Nottoli Timothy , Mogessie Binyam
Published: February 2025

Female reproductive aging is accompanied by a dramatic rise in the incidence of egg aneuploidy. Premature loss of chromosome cohesion proteins and untimely separation of chromosomes is thought to underly high rates egg aneuploidy during maternal aging. However, because chromosome cohesion loss occurs gradually over female reproductive lifespan and cytoskeletal defects alone can predispose eggs to chromosomal abnormalities, the root causes of exponential rise in egg aneuploidy at advanced reproductive ages remain a mystery. Here, we applied high-resolution live imaging to visualize for the first time cohesion protein dynamics underpinning meiotic chromosome segregation. To discover proteins whose dysfunction accelerates aneuploidies associated with female reproductive aging, we innovated the first experimental system in which chemically induced cohesion reduction rapidly triggers aging-like chromosomal abnormalities in young eggs. By integrating this direct cohesion manipulation system with quantitative high-resolution microscopy and targeted protein degradation tools, we identified the centromeric protein CENP-A as a new factor whose aging-like depletion causes a dramatic rise in premature separation of sister chromatids. Our work illuminates cohesion loss-independent origins of age-related egg aneuploidy and provides new avenues to discover therapeutic targets for extending the female reproductive lifespan.
A replicating recombinant vesicular stomatitis virus model for dairy cattle H5N1 influenza virus glycoprotein evolution
Authors: Robinson-McCarthy Lindsey R , Zirckel Kylie E , Simmons Holly C , Le Sage Valerie M , McCarthy Kevin Raymond
Published: February 2025

A panzootic of highly pathogenic avian influenza (HPAI) H5N1 viruses from clade 2.3.4.4b has triggered a multistate outbreak in United States dairy cattle and an unknown number of human infections. HPAI viruses are handled in specialized biocontainment facilities. Ethical considerations limit certain experimental evolution experiments aimed at assessing viral resistance to potential therapeutics. We have developed a replicating recombinant vesicular stomatitis virus (rVSV) where we replaced its glycoprotein with the hemagglutinin (HA) and neuraminidase (NA) genes of a 2.3.4.4b H5N1 virus (rVSV-H5N1dc2024), which is free of these constraints. This virus grows to high titers and encodes a fluorescent reporter to track infection. We demonstrate the utility of rVSV-H5N1dc2024 in neutralization experiments, evaluating antibody escape and characterization of resistance mutations to NA inhibitors. rVSV-H5N1dc2024 or similar viruses may accelerate efforts to develop and evaluate interventions against this emerging threat to human and animal health.
Evidence for Functional Regulation of the KLHL3/WNK Pathway by O-GlcNAcylation
Authors: Hu Jimin , Huynh Duc T , Dunn Denise E , We Jijanli , Manriquez-Rodriguez Cindy , Zhang Qianyi E , Hirschkorn Gabrielle A , Georgiou George R , Hirata Tetsuya , Myers Samuel A , Floyd Scott R , Chi Jen-Tsan Ashley , Boyce Michael
Published: February 2025

The 42-member Kelch-like (KLHL) protein family are adaptors for ubiquitin E3 ligase complexes, governing the stability of a wide range of substrates. KLHL proteins are critical for maintaining proteostasis in a variety of tissues and are mutated in human diseases, including cancer, neurodegeneration, and familial hyperkalemic hypertension. However, the regulation of KLHL proteins remains incompletely understood. Previously, we reported that two KLHL family members, KEAP1 and gigaxonin, are regulated by O-linked β-N-acetylglucosamine (O-GlcNAc), an intracellular form of glycosylation. Interestingly, some ubiquitination targets of KEAP1 and gigaxonin are themselves also O-GlcNAcylated, suggesting that multi-level control by this post- translational modification may influence many KLHL pathways. To test this hypothesis, we examined KLHL3, which ubiquitinates with-no-lysine (WNK) kinases to modulate downstream ion channel activity. Our biochemical and glycoproteomic data demonstrate that human KLHL3 and all four WNK kinases (WNK1-4) are O-GlcNAcylated. Moreover, our results suggest that O-GlcNAcylation affects WNK4 function in both osmolarity control and ferroptosis, with potential implications ranging from blood pressure regulation to neuronal health and survival. This work demonstrates the functional regulation of the KLHL3/WNK axis by O-GlcNAcylation and supports a broader model of O-GlcNAc serving as a general regulator of KLHL signaling and proteostasis.
Distinct distributed brain networks dissociate self-generated mental states
Authors: Anderson Nathan L , Salvo Joseph J , Smallwood Jonathan , Braga Rodrigo M
Published: February 2025

Human cognition relies on two modes: a perceptually-coupled mode where mental states are driven by sensory input and a perceptually-decoupled mode featuring self-generated mental content. Past work suggests that imagined states are supported by the reinstatement of activity in sensory cortex, but transmodal systems within the canonical default network are also implicated in mind-wandering, recollection, and imagining the future. We identified brain systems supporting self-generated states using precision fMRI. Participants imagined different scenarios in the scanner, then rated their mental states on several properties using multi-dimensional experience sampling. We found that thinking involving scenes evoked activity within or near the default network, while imagining speech evoked activity within or near the language network. Imagining-related regions overlapped with activity evoked by viewing scenes or listening to speech, respectively; however, this overlap was predominantly within transmodal association networks, rather than adjacent unimodal sensory networks. The results suggest that different association networks support imagined states that are high in visual or auditory vividness.
Integrating physics inspired features with graph convolution
Authors: Sahu Rameswar
Published: February 2025

With the advent of advanced machine learning techniques, boosted object tagging has witnessed significant progress. In this article, we take this field further by introducing novel architectural modifications compatible with a wide array of GNN architectures. Our approach advocates for integrating capsule layers, replacing the conventional decoding blocks in standard GNNs. These capsules are a group of neurons with vector activations. The orientation of these vectors represents important properties of the objects under study, with their magnitude characterizing whether the object under study belongs to the class represented by the capsule. Moreover, capsule networks incorporate a regularization by reconstruction mechanism, facilitating the seamless integration of expert-designed high-level features into the analysis. We have studied the usefulness of our architecture with the LorentzNet architecture for quark-gluon tagging. Here, we have replaced the decoding block of LorentzNet with a capsulated decoding block and have called the resulting architecture CapsLorentzNet. This new architecture improves LorentzNet’s performance by approximately 25% for quark-gluon tagging, establishing CapsLorentzNet as the state-of-the-art solution for this task.

Published by the American Physical Society
2025
Benchmarking deep learning for automated peak detection on GIWAXS data
Authors: Völter Constantin , Starostin Vladimir , Lapkin Dmitry , Munteanu Valentin , Romodin Mikhail , Hylinski Maik , Gerlach Alexander , Hinderhofer Alexander , Schreiber Frank
Published: February 2025

Recent advancements in X-ray sources and detectors have dramatically increased data generation, leading to a greater demand for automated data processing. This is particularly relevant for real-time grazing-incidence wide-angle X-ray scattering (GIWAXS) experiments which can produce hundreds of thousands of diffraction images in a single day at a synchrotron beamline. Deep learning (DL)-based peak-detection techniques are becoming prominent in this field, but rigorous benchmarking is essential to evaluate their reliability, identify potential problems, explore avenues for improvement and build confidence among researchers for seamless integration into their workflows. However, the systematic evaluation of these techniques has been hampered by the lack of annotated GIWAXS datasets, standardized metrics and baseline models. To address these challenges, we introduce a comprehensive framework comprising an annotated experimental dataset, physics-informed metrics adapted to the GIWAXS geometry and a competitive baseline – a classical, non-DL peak-detection algorithm optimized on our dataset. Furthermore, we apply our framework to benchmark a recent DL solution trained on simulated data and discover its superior performance compared with our baseline. This analysis not only highlights the effectiveness of DL methods for identifying diffraction peaks but also provides insights for further development of these solutions.
In situ small-angle X-ray scattering measurement at the Very Small Angle Neutron Scattering Instrument at the China Spallation Neutron Source
Authors: Ma Changli , Lin Xiong , Han Zehuan , Xiao Songwen , He Yongcheng , He Zhenqiang , Wang Fangwei , Cheng He , Zuo Taisen
Published: February 2025

Small-angle X-ray and neutron scattering (SAXS and SANS) offer complementary insights into multi-scale and multiphase structures. Efforts have been made to integrate SAXS into SANS instruments, with only D22 at the Institut Laue–Langevin successfully implementing a SAXS setup; this was constrained to a horizontal geometry due to space limitations and high radiation noise. Here, we introduce an in situ vertical SAXS setup at beamline 14, Very Small Angle Neutron Scattering (VSANS) instrument, at the China Spallation Neutron Source. The compact vertical SAXS instrument without a beam stop, measuring 87 cm × 93 cm × 240 cm (W × L × H) and featuring a hoisting frame, can be easily installed in the VSANS sample room within 5 h. Utilizing a 50 mm-diameter neutron collimation guide, we can simultaneously detect X-rays from below and neutrons from behind, with the backboard of the SAXS chamber coated in a boron–aluminium alloy to reduce neutron background interference. Through testing with standard samples like deuterated and hydrogenated PEG, silver behenate, LaB6, and glass carbon, we demonstrate that concurrent neutron and X-ray measurements are successful.
Synthesis, crystal structure, Hirshfeld surface analysis, density function theory calculations and photophysical properties of methyl 4′-[(4-bromobenzoyl)oxy]biphenyl-4-carboxylate: a compound with bromine...oxygen contacts
Authors: Anilkumar Hanumaiah , Selvanandan Selvaraj , Omkariah Metikurke Amruthesh , Harish Kumar Mahadevaiah , Srinivasa Hosapalya Thimmaiah , Palakshamurthy Bandrehalli Siddagangaiah
Published: February 2025

In the molecular title compound, C21H15BrO4, the dihedral angles between the aromatic bromo-benzene ring and the immediate neighbors (first and second aromatic ring of the biphenyl moiety) are 56.57 (2) and 50.91 (4)°. The dihedral angle between the aromatic rings of the biphenyl fragment is 5.78 (4)°. The torsion angles across the ester groups associated with bromo-benzene and methyl moieties are 178.0 (1) and 176.86 (2)°, respectively, revealing an anti-periplanar conformation in both cases. In the crystal, the packing of the molecules is stabilized by Br...O contacts running infinitely along [001]. In addition, the crystal packing is consolidated by various C—H...π interactions. Hirshfeld surface analysis revealed that the most important contributions to the crystal packing arise from H...H (27.1%), C...H/H...C (39.3%), O...H/H...O (15.4%) and Br...H/H...Br (10.6%) contacts. The net interaction energies for the title compound were computed as E
ele = −41.9 kJ mol−1, E
pol = −11 kJ mol−1, E
dis = −209.7 kJ mol−1 and E
rep = 108.9 kJ mol−1, with a total interaction energy E
tot of −167.9 kJ mol−1. The ground-state dipole moment (μg) is calculated as 1.2936 debye and the energy gap between HOMO and LUMO orbitals is 4.5203 eV as calculated with density functional theory using the B3LYP/6–31 G level basis set. The electronic absorption and fluorescence spectra of the compound were recorded and studied in different solvents by varying polarity. These results were used to elucidate the solvatochromic properties, and spectral deviations were studied by the linear solvation energy relationship. Lippert, Bakhshiev, and Bilot–Kawski–Chamma–Viallet equations were used to estimate the ground and excited-state dipole moments (μe). The excited dipole moment is found to be higher than the ground state dipole moment, which indicates that π-electrons are more distributed in polar excited molecules.
Synthesis and characterization of quinoxalinone-based heterocycles for corrosion inhibition: electrochemical, spectroscopic, and microscopic studies with theoretical analysis
Authors: Kharbouch Otmane , Dahmani Khadija , Issam Saber , El-Alouani Marouane , Errahamany N. , Rbaa Mohamed , Galai Mouhsine , Ebntouhami Mohamed , Almeer Rafa , Almaswari Basheer M. , Nassali Hakima
Published: February 2025

Purpose

This study aims to synthesize two organic heterocyclic compounds, (2E,3E)-6-chloro-2,3-dihydrazinylidene-1-methyl-1,2,3,4-tetrahydroquinoxaline (MR1) and (2E,3E)-2,3-dihydrazinylidene-1-methyl-1,2,3,4-tetrahydroquinoxaline (MR2), characterize them using nuclear magnetic resonance spectroscopy (1H-NMR and 13C-NMR) and evaluate their effectiveness as corrosion inhibitors in an acidic environment (15% HCl).

Design/methodology/approach

The synthesized compounds, MR1 and MR2, were tested for their corrosion inhibition properties using potentiodynamic polarization and electrochemical impedance spectroscopy. Post-corrosion, the steel surface was analyzed with scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX) and atomic force microscopy (AFM) to confirm the adsorption of the compounds. The experimental findings were further supported by density functional theory calculations and molecular dynamics simulations.

Findings

The results indicated that both MR1 and MR2 exhibit significant anticorrosive activity in a 15% HCl environment. The analyses performed with SEM, EDX and AFM confirmed the effective adsorption of the inhibitors on the steel surface, forming a protective layer. Theoretical studies provided additional insights into the adsorption mechanisms and stability of the inhibitors.

Originality/value

This work introduces novel organic heterocyclic compounds based on quinoxalinone as effective corrosion inhibitors in acidic environments. The combined experimental and theoretical approach provides a comprehensive understanding of their anticorrosive behavior.
Intellectual capital and financial performance of Islamic banks: a meta-analysis
Authors: Zafar Muhammad Bilal , Yasin Talha
Published: February 2025

Purpose

This study aims to meta-synthesize the relationship between intellectual capital (IC) and the financial performance of Islamic banks. Specifically, it examines how different components of IC – human capital, structural capital, relational capital and capital employed – impact key financial performance metrics, including return on assets (ROA), return on equity (ROE) and Tobin’s Q (TQ).

Design/methodology/approach

A comprehensive meta-analysis was conducted, following the PRISMA guidelines, to synthesize findings from 29 peer-reviewed journal articles indexed in Scopus and Web of Science having accumulative sample size of 8,871. Effect sizes were calculated using Fisher’s r-to-z transformation, and a random-effects model was applied to estimate the overall effect sizes. Subgroup meta-analyses were performed to evaluate the relationships between specific components of IC and various financial performance measures.

Findings

The meta-analysis confirms a positive and statistically significant effect size (r = 0.227, p < 0.001) between IC and financial performance in Islamic banks. Human capital shows the strongest positive impact on ROA and ROE, highlighting the role of skilled employees in driving success. Structural and relational capital exhibit weaker and variable effects, whereas capital employed significantly enhances profitability. These findings underscore the complex nature of the IC–financial performance link, emphasizing the need for strategic management to optimize IC benefits.

Originality/value

This study fills a gap in the existing literature by providing a comprehensive meta-analysis focused on Islamic banks, which operate under unique principles compared to conventional banks. By highlighting the significant role of IC, particularly human capital, this research offers valuable insights for academics, practitioners and policymakers aiming to enhance the financial performance and sustainability of Islamic banks through strategic management of intellectual assets.
Artificial intelligence: where does Brazil stand in global scientific production and what are the main technical determinants of adoption by Brazilian companies
Authors: Benedeti Rosa Maurício , Kubota Luis Claudio
Published: February 2025

Purpose

Artificial Intelligence (AI) has the potential to significantly increase long-term economic productivity. Although available evidence indicates that the use of AI in major business processes is still quite limited, countries such as China and the USA are at the forefront of technology development. For developing economies not to lag behind, it is essential to be prepared through innovation-friendly public policies, which can be more efficiently formulated with an understanding of the factors influencing the adoption of AI by firms. This research paper aims to contribute to this objective by providing a brief characterization of the scientific literature on AI in Brazil and worldwide, and by evaluating the determinants of AI adoption by Brazilian companies.

Design/methodology/approach

We use a bibliometric tool developed by the OECD to characterize AI research, and parametric modeling – logit, in RStudio, to evaluate the determinants of AI adoption in Brazilian firms.

Findings

The results that emerge from the analysis point out that Brazil's scientific production on AI is much lower than that of the leading experts, but the rates of AI adoption by companies are in line with those of European countries. As the main technical determinants of AI adoption in Brazilian companies, the use of the internet of things (IoT), cloud computing, big data analysis and the existence of a digital security policy stand out, which reinforces the need to harmonize the different government strategies related to digital transformation in Brazil.

Originality/value

As far as we are concerned, this is the first attempt to conduct this kind of analysis in Brazil, with Information and Communications Technology (ICT) Enterprises Survey 2021 data.
Effect of pre­roll ad choice on brand attitude and attitude toward the viewing experience
Authors: Newton Joshua , Newton Fiona Joy , Wong Jimmy , Tsarenko Yelena
Published: February 2025

Purpose

This study aims to investigate whether giving consumers choice over which ads they watch before accessing online content can enhance their attitude toward the advertised brand and the overall viewing experience.

Design/methodology/approach

All participants were shown a pre-roll ad before watching a focal piece of content, but some participants were randomized to receive an illusory (Study 1) or actual choice (Study 2–3) over which ad they would watch.

Findings

Pre-roll ad choice enhanced brand attitude and attitude toward the overall viewing experience (Study 1–3), but only when consumers could choose between ads from competing brands (Study 2). These advantageous effects arose through the mediating influence of empowerment (Study 1–2), but only among those with a negative attitude toward online advertising (brand attitude and attitude towards the viewing experience; Study 3) or who had limited interest in purchasing from the product category being advertised (brand attitude; Study 3).

Research limitations/implications

Potential rebound effects, where consumers become more critical of any disliked ads that they selected for viewing, were not examined.

Practical implications

Pre-roll ad choice allows consumers to tailor their online viewing experience, benefitting not only the brands that leverage it (through enhanced brand attitude) but also the online platforms that implement it (through enhanced attitude toward the viewing experience).

Originality/value

Pre-roll ad choice acts as a salve to the disruption of goal pursuit that such ads normally engender by generating feelings of empowerment. By extension, consumers for whom pre-roll ads do not disrupt goal pursuit do not respond to ad choice.
Sustainable supply chain in green hydrogen industry in India using SAP-LAP and paradox framework
Authors: Harichandan Sidhartha , Kar Sanjay Kumar , Patnaik Rajnandan
Published: February 2025

Purpose

This study aims to delve into how predictive maintenance (PM) strategies and supply chain optimization (SCO) can effectively integrate within the green hydrogen sector, enhancing operational efficiency and sustainability.

Design/methodology/approach

This study uses the situation, actor, process-learning, action, performance model of inquiry, enriched by insights from the paradox framework using expert opinions. The study is grounded in an empirical methodology, using in-depth interviews and discussions with industry experts to elucidate the complex dynamics.

Findings

Key findings from the expert interviews reveal a rich tapestry of challenges and opportunities. This study emphasizes the criticality of PM in reducing downtime and increasing the lifespan of key equipment in hydrogen production. Simultaneously, it underscores the pivotal role of SCO in ensuring the seamless flow of materials and energy, which is vital for the industry’s scalability and economic viability.

Originality/value

It is noted that this study contributes a detailed perspective to the existing body of literature, particularly focusing on the nuanced roles of PM and SCO in the green hydrogen value chain. This approach is distinct from prior studies that primarily concentrated on the hydrogen value chain, which have traditionally delved into the drivers, challenges and enablers of these areas.
Exploring key drivers for consumers’ willingness to adopt underground logistics systems: uses and gratification theoretical perspective
Authors: Li Fengshan , Li Xue , Yuen Kum Fai
Published: February 2025

Purpose

The underground logistics system (ULS) is noted to be an innovative delivery alternative that confers benefits such as improved logistics efficiency, reduced traffic congestion and better environmental protection for society. Consumer acceptance is crucial for the widespread application of ULS. Hence, this study aims to explore the drivers affecting consumers’ willingness to adopt an ULS anchored on the uses and gratification theory.

Design/methodology/approach

An online survey was implemented among 551 Singapore citizens and structural equation modeling was adopted to examine the theoretical model.

Findings

The findings suggest that most gratification variables (i.e. hedonic gratification, environmental protection gratification (EPG) and social gratification), mediated by perceived well-being and conscious attention, have significant effects on consumer adoption of the ULS. Moreover, as shown in the results of total effects, well-being perception exerts the largest impact on consumers’ adoption of ULS, followed by conscious attention, EPG, social gratification, hedonic gratification and convenience gratification.

Originality/value

This study contributes to enriching current theoretical research on consumers’ willingness to accept ULS, and providing several practical implications for logistic service providers and the government to promote consumers’ adoption of ULS.
AI and analytics conundrum: unpacking the barriers in modern HR with ISM and MICMAC analysis
Authors: Yadav Geetu
Published: February 2025

Purpose

This study aims to identify and model deterrents to adopt and institutionalize analytics and artificial intelligence in modern human resource (HR) using interpretive structural modelling (ISM) and cross-impact matrix multiplication applied to classification (MICMAC) approach.

Design/methodology/approach

A comprehensive investigation of the literature and feedback from experts led to the identification of 16 deterrents in this study. After that, the ISM tool is used to find connections between the identified deterrents in the HR ecosystem and MICMAC which helps in categorising deterrents on the basis of driving and dependence power and provides deeper insights into their roles and significance.

Findings

Employee resistance and HR transformation are highly influenced by other factors but exert minimal driving power. Data availability, leadership support, communication and collaboration, legal, ethical and regulatory compliance, and infrastructure and resources exhibit strong influence and dependence, making them highly sensitive and crucial. Training and development, learning culture and change management, and data privacy and security have strong driving power with minimal dependence, indicating their foundational role in shaping HR transformation.

Research limitations/implications

This study will assist policymakers and owners/managers in the HR ecosystem in recognising and comprehending the importance and applicability of analytics and AI obstacles while developing HR strategies.

Originality/value

This study explicitly focuses on data analytics and AI technology in the current scenario. It also explores the relationship between deterrents and their driving and dependence powers.
AAHIN: attribute-aware heterogeneous information network representation learning for data mining
Authors: Wu Ling , Tian Yanru , Lu Jinlu , Guo Kun
Published: February 2025

Purpose

Heterogeneous graphs, composed of diverse nodes and edges, are prevalent in real-world applications and effectively model complex web-based relational networks, such as social media, e-commerce and knowledge graphs. As a crucial data source in heterogeneous networks, Node attribute information plays a vital role in Web data mining. Analyzing and leveraging node attributes is essential in heterogeneous network representation learning. In this context, this paper aims to propose a novel attribute-aware heterogeneous information network representation learning algorithm, AAHIN, which incorporates two key strategies: an attribute information coverage-aware random walk strategy and a node-influence-based attribute aggregation strategy.

Design/methodology/approach

First, the transition probability of the next node is determined by comparing the attribute similarity between historical nodes and prewalk nodes in a random walk, and nodes with dissimilar attributes are selected to increase the information coverage of different attributes. Then, the representation is enhanced by aggregating the attribute information of different types of high-order neighbors. Additionally, the neighbor attribute information is aggregated by emphasizing the varying influence of each neighbor node.

Findings

This paper conducted comprehensive experiments on three real heterogeneous attribute networks, highlighting the superior performance of the AAHIN model over other baseline methods.

Originality/value

This paper proposes an attribute-aware random walk strategy to enhance attribute coverage and walk randomness, improving the quality of walk sequences. A node-influence-based attribute aggregation method is introduced, aggregating neighboring node attributes while preserving the information from different types of high-order neighbors.