bluuebunny/crossref_metadata_2025 huggingface dataset:
Structural Analysis of a Metamorphic Protein using AlphaFold2
Authors: Tyree Soren , Kim Yongick
Published: November 2024

Metamorphic proteins, which can adopt multiple stable conformations, challenge the traditional understanding of protein structure and function. KaiB is a metamorphic protein that regulates the circadian clock, a central regulator governing gene expression in most light-perceiving organisms on Earth. An interesting aspect is that the circadian clock can be reconstituted in vitro by mixing Kai proteins (KaiA, KaiB, and KaiC) with ATP and Mg2+. The phosphorylation state of KaiC oscillates with a 24-hour period. The fold-switched form of KaiB binds to KaiC to activate the dephosphorylation of KaiC, while the other fold of KaiB dissociates from KaiC, allowing phosphorylation to be activated by the binding of KaiA to KaiC. To understand the metamorphic process of KaiB, we utilized AlphaFold2, a protein structure prediction program, and sequence alignments. We found that a proline residue determines the fold of KaiB. We also confirmed that mutating this proline to lysine changes KaiB to a fold-switched conformation. This validates that AlphaFold2 can be used for the study of metamorphic proteins.
Consolidation of sequential experience into a deep generative network explains human memory, prediction and planning
Authors: Spens Eleanor , Burgess Neil
Published: November 2024

The consolidation of sequential experience is thought to enable efficient schema-based reconstruction of the past and prediction of the future, but the mechanism is unknown. Here, we present a computational model in which sequences are rapidly encoded in the hippocampus and replayed to train a neocortical deep generative network to predict the next item in each sequence. This is simulated using generative pre-trained transformers (GPTs), a variety of large language model. As well as capturing the gist of specific episodes, the neocortical network extracts statistical patterns that generalise to new situations. This model explains human performance on statistical learning and structural inference tasks, and accounts for gist or schema-based distortions in memories of narratives. It also shows how recent memory can contribute to inference and planning, capturing hippocampal and neocortical interactions as ‘retrieval-augmented generation’, in which specific memories retrieved from the hippocampus provide the context in working memory for prediction using the ‘general knowledge’ of the neocortical network. Furthermore, it shows how hippocampal traces could combine gist and detail for efficient encoding. The model suggests how episodic, semantic and working memory interact in the consolidation, (re)construction and planning of sequential experience.
Variations in kinase and effector signaling logic in a bacterial two component signaling network
Authors: Swingle Danielle , Epstein Leah , Aymon Ramisha , Isiorho Eta A. , Abzalimov Rinat R. , Favaro Denize C. , Gardner Kevin H.
Published: November 2024

The general stress response (GSR) protects bacteria from a wide range of stressors. InAlphaproteobacteria, GSR activation is coordinated by HWE/HisKA2 family histidine kinases (HKs), which can exhibit non-canonical structure and function. For example, while most light-oxygen-voltage sensor-containing HKs are light activated dimers, theRubellimicrobium thermophilumRT-HK has inverted “dark on, light off” signaling logic with a tunable monomer/dimer equilibrium. Here, we further investigate these atypical behaviors of RT-HK and characterize its downstream signaling network. Using hydrogen-deuterium exchange mass spectrometry, we find that RT-HK uses a signal transduction mechanism similar to light-activated systems, despite its inverted logic. Mutagenesis reveals that RT-HK autophosphorylatesin trans, with changes to the Jα helix linking sensor and kinase domains affecting autophosphorylation levels. Exploring downstream effects of RT-HK, we identified two GSR genetic regions, each encoding a copy of the central regulator PhyR.In vitromeasurements of phosphotransfer from RT-HK to the two putative PhyRs revealed that RT-HK signals only to one, and does so at an increased intensity in the dark, consistent with its reversed logic. X-ray crystal structures of both PhyRs revealed a substantial shift within the receiver domain of one, suggesting a basis for RT-HK specificity. We probed further down the pathway using nuclear magnetic resonance to determine that the single NepR homolog interacts with both unphosphorylated PhyRs, and this interaction is decoupled from activation in one PhyR. This work expands our understanding of HWE/HisKA2 family signal transduction, revealing marked variations from signaling mechanisms previously identified in other GSR networks.
Tomato roots exhibit distinct, development-specific responses to bacterial-derived peptides
Authors: Leuschen-Kohl Rebecca , Roberts Robyn , Stevens Danielle M. , Zhang Ning , Buchanan Silas , Pilkey Brooke , Coaker Gitta , Iyer-Pascuzzi Anjali S.
Published: November 2024

Plants possess cell-surface recognition receptors that detect molecular patterns from microbial invaders and initiate an immune response. Understanding the conservation of pattern-triggered immunity within different plant organs and across species is crucial to its sustainable and effective use in plant disease management but is currently unclear.

We examined the activation and immune response patterns of three pattern recognition receptors (PRRs:SlFLS2,SlFLS3, andSlCORE) in different developmental regions of roots and in leaves of multiple accessions of domesticated and wild tomato (Solanum lycopersicumandS. pimpinellifolium) using biochemical and genetic assays.

Roots from different tomato accessions differed in the amplitude and dynamics of their immune response, but all exhibited developmental-specific PTI responses in which the root early differentiation zone was the most sensitive to molecular patterns. PRR signaling pathways also showed distinct but occasionally overlapping responses downstream of each immune receptor in tomato roots.

These results reveal that each PRR initiates a unique PTI pathway and suggest that the specificity and complexity of tomato root immunity are tightly linked to the developmental stage, emphasizing the importance of spatial and temporal regulation in PTI.
PATROL1-mediated H+-ATPase translocation boosts plant growth under drought by optimizing root and leaf functions
Authors: Katsuhama Naoya , Sakoda Kazuma , Kimura Haruki , Shimizu Yutaro , Sakai Yuuki , Nagata Kenji , Abe Mitsutomo , Terashima Ichiro , Yamori Wataru
Published: November 2024

Optimizing leaf photosynthesis and root water and mineral uptake in crops during drought is crucial for enhancing agricultural productivity under climate change. Although plasma membrane H+-ATPase plays a key role in plant physiological processes, its overexpression alone does not consistently improve growth. While PROTON ATPASE TRANSLOCATION CONTROL 1 (PATROL1) regulates H+-ATPase translocation in response to various environmental stimuli in leaves, its function in roots remains largely unknown. Here we show that H+-ATPase was coimmunoprecipitated with PATROL1 in roots ofArabidopsis thaliana. Micrografting between wild type andPATROL1knockout or overexpression lines showed that PATROL1 are indispensable in both shoots and roots, indicating that root uptake and leaf photosynthesis are simultaneous limiting factors for plant growth under drought conditions.PATROL1overexpression in whole plants resulted in a 41% increase above wild type in shoot dry weight under drought conditions. These findings highlight the potential of H+-ATPase regulation in roots as a new strategy to improve plant productivity, particularly under drought conditions.
LONG TERM NEUROPSYCHOLOGICAL OUTCOME AND EFFECT OF COGNITIVE RESERVE IN RETIRED ATHLETES
Authors: Dewar B-K. , Murray J. , Pedder H. , Turner M.
Published: November 2024

Objectives

Cognitive reserve is hypothesised as a protective process against cognitive impairment arising from brain injury. Different life experiences provide a shield against the effects of brain changes to modulate or delay the expression of cognitive impairment. The current study investigated the long-term neuropsychological outcome of retired, predominantly equestrian, athletes.

Methods

Neuropsychological performance of participants with a history of concussion was compared to age-matched controls using Principle Components Analysis (PCA) regression, adjusted for participant characteristics. Premorbid function was used as an index of cognitive reserve.

Results

Three components were identified that explained greater than 95 percent of the variance in 14 neuropsychology tests; the first component (PC1) explained 87 percent of the variance. A regression model on PC1 identified an association between concussion and PC1, with lower scores in concussed participants with lower premorbid function.

Conclusions

A history of concussion is associated with lower neuropsychological performance, and this is more pronounced in individuals with lower premorbid functioning, an indicator of cognitive reserve.

What is already known on this topic

There is a need to clarify long term neuropsychological outcome following sports related concussion.

What this study adds

There is a subset of retired athletes who are better able to withstand the cognitive impact of sports related concussion given higher cognitive reserve.

How this study might affect research, practice or policy

Future research needs to explore modifiable factors to protect brain health in retired athletes, with the use of clinically meaningful measures of cognitive functioning. There is a need for longitudinal assessment and follow-up to clarify the role of cognitive reserve in retired athletes.
Integrating genetic data in target trial emulations improves their design and informs the value of polygenic scores for prognostic and predictive enrichment
Authors: German Jakob , Yang Zhiyu , Urbut Sarah , Vartiainen Pekka ,   FinnGen, Natarajan Pradeep , Pattorno Elisabetta , Kutalik Zoltan , Philippakis Anthony , Ganna Andrea
Published: November 2024

Randomized controlled trials (RCTs) are the gold standard for evaluating the efficacy and safety of medical interventions but ethical, practical, and financial limitations often necessitate decisions based on observational data. The increasing volume of such data has prompted regulatory bodies to rely more on real-world evidence, primarily obtained through trial emulations. This study explores how genetic data can improve the design of both emulated and traditional trials. We successfully emulated four major cardiometabolic RCTs within FinnGen (N=425 483) and showed how reduced differences in polygenic scores (PGS) between trial arms track improved study design and consequently reduced residual confounding. Complementing these results with simulations, we show that PGS cannot be directly used to adjust for residual or unmeasured confounding. Instead, we propose an approach that uses genetic instruments for confounding detection and apply this approach to identify likely confounders in Empareg trial emulation. Finally, our results suggest that trial emulations can inform the practical application of PGS in RCTs, potentially improving statistical power. Such prognostic enrichment strategies need to be assessed in a trial-relevant population, and we show that, for 2 out of 4 emulated trials, the association between PGS and trial outcomes in the general population was different from what observed in the population included in the trial.

In conclusion, our work shows that genetic information can improve the design of emulated trials. These results contribute to the establishment of a promising new era of genetically-informed clinical trials.
Cost-Effectiveness of Personalized Policies for Implementing Organ-at-Risk Sparing Adaptive Radiation Therapy in Head and Neck Cancer: A Markov Decision Process Approach
Authors: Hosseinian Seyedmohammadhossein , Suarez-Aguirre Daniel , Dede Cem , Garcia Raul , McCullum Lucas , Hemmati Mehdi , Karagoz Aysenur , Mohamed Abdallah S. R. , Lai Stephen Y. , Hutcheson Katherine A. , Moreno Amy C. , Brock Kristy K. , Nosrat Fatemeh , Fuller Clifton D. , Schaefer Andrew J. ,   the MD Anderson Head and Neck Cancer Symptom Working Group
Published: November 2024

Purpose

To develop a clinical decision-making model for implementation of personalized organ-at-risk (OAR)-sparing adaptive radiation therapy (ART) that balances the costs and clinical benefits of radiation plan adaptations, without limiting the number of re-plannings per patient, and derive optimal policies for head and neck cancer (HNC) radiation therapy.

Methods and Materials

By leveraging retrospective CT-on-Rails imaging data from 52 HNC patients treated at the University of Texas MD Anderson Cancer Center, a Markov decision process (MDP) model was developed to identify the optimal timing for plan adaptations based on the difference in normal tissue complication probability (ΔNTCP) between the planned and delivered dose to OARs. To capture the trade-off between the costs and clinical benefits of plan adaptations, the end-treatment ΔNTCPs were converted to Quality Adjusted Life Years (QALYs) and, subsequently, to equivalent monetary values, by applying a willingness-to-pay per QALY parameter.

Results

The optimal policies were derived for 96 combinations of willingness-to-pay per QALY (W) and re-planning cost (RC). The results were validated through a Monte Carlo (MC) simulation analysis for two representative scenarios: (1) W = $200,000 and RC = $1,000; (2) W = $100,000 and RC = $2,000. In Scenario (1), the MDP model’s policy was able to reduce the probability of excessive toxicity, characterized by ΔNTCP ≥ 5%, to zero (down from 0.21 when no re-planning was done) at an average cost of $380 per patient. Under Scenario (2), it reduced the probability of excessive toxicity to 0.02 at an average cost of $520 per patient.

Conclusions

The MDP model’s policies can significantly improve the treatment toxicity outcomes compared to the current fixed-time (one-size-fits-all) approaches, at a fraction of their costs per patient. This work lays the groundwork for developing an evidence-based and resource-aware workflow for the widespread implementation of ART under limited resources.
Rabies Test Accuracy: Comprehensive Systematic Review and Meta-Analysis for Human and Canine Diagnostics
Authors: Candia-Puma Mayron Antonio , Pola-Romero Leydi , Barazorda-Ccahuana Haruna Luz , Goyzueta-Mamani Luis Daniel , Sobreira Galdino Alexsandro , Machado-de-Ávila Ricardo Andrez , Cordeiro Giunchetti Rodolfo , Ferraz Coelho Eduardo Antonio , Chávez-Fumagalli Miguel Angel
Published: November 2024

Rabies is almost invariably fatal once clinical symptoms manifest. Timely and accurate diagnosis is essential for effective treatment and prevention. Dogs are the principal reservoirs of the virus, particularly in developing nations, highlighting the importance of precise diagnostic and control measures to prevent human cases. This systematic review and meta-analysis aimed to assess the accuracy of laboratory tests for diagnosing rabies in humans and dogs. The PubMed database was searched for published studies on rabies diagnosis between 1990 and 2024. Following PRISMA statement recommendations, we included 60 studies that met the selection criteria. The findings demonstrate the effectiveness of immunological tests, such as the enzyme-linked immunosorbent assay (ELISA), and molecular tests, such as reverse transcription polymerase chain reaction (RT-PCR), in diagnosing rabies in humans. Similarly, immunological tests, rapid immunochromatographic tests (RIT), ELISA, and molecular tests (RT-PCR) were effective in diagnosing rabies in dogs. Compared to the direct fluorescent antibody test (DFAT), the area under the curve restricted to false positive rates (AUCFPR= 0.887) exhibited considerable variability and lower diagnostic accuracy. Both ELISA (AUCFPR= 0.909) and RT-PCR (AUCFPR= 0.905) offered more consistent and reliable results. Notably, RIT displayed the highest performance (AUCFPR= 0.949), with excellent sensitivity and specificity, underscoring the superior diagnostic capabilities of these methods over the traditional DFAT. Given the performance of the DFAT, it is imperative to reassess and modernize rabies diagnostic protocols by integrating advanced technological methodologies. Enhancing diagnostic precision for humans and dogs is essential for facilitating timely and effective interventions, curbing viral transmission, and ultimately decreasing mortality rates.
Visual preferences for communicating modelling: a global analysis of COVID-19 policy and decision makers
Authors: Hadley Liza , Rich Caylyn , Tasker Alex , Restif Olivier , Funk Sebastian
Published: November 2024

Effective communication of modelling results to policy and decision makers has been a longstanding challenge in times of crises. This communication takes many forms - visualisations, reports, presentations - and requires careful consideration to ensure accurate maintenance of the key scientific messages. Science-to-policy communication is further exacerbated when presenting fundamentally uncertain forms of science such as infectious disease modelling and other types of modelled evidence, something which has been understudied. Here we assess the communication and visualisation of modelling results to national COVID-19 policy and decision makers in 13 different countries. We present a synthesis of recommendations on what aspects of visuals, graphs, and plots policymakers found to be most helpful in their COVID-19 response work. This work serves as a first evidence base for developing guidelines on the communication and translation of modelling-to-policy.
Multiple roles for TFG ring complexes in neuronal cargo trafficking
Authors: Zhang Ziheng , Lettman Molly M. , Schuh Amber L. , Bhattacharyya Basudeb , Randolph Peter , Nandakumar Trisha , Kulkarni Ishan , Roach Alexander , Alvin James R. , Gengler Diane , Stagg Scott M. , Keck James L. , Audhya Anjon
Published: November 2024

Pathological variants in Trk-fused gene (TFG) have been implicated in a variety of neurodegenerative conditions. In particular, mutations within its amino-terminal PB1 domain have been suggested to cause hereditary spastic paraplegia (HSP), resulting in progressive lower limb spasticity and weakness. The structural basis for this effect is unknown. Here, we combine X-ray crystallography and cryo-electron microscopy to determine a structural model of TFG, demonstrating the mechanism by which it forms octameric ring complexes. A network of electrostatic and hydrophobic interactions defines the interface between protomers. Moreover, we show that mutations identified previously in HSP patients disrupt this interface, destabilizing octamers, which ultimately leads to axonopathy. Surprisingly, the impacts of these variants are not equivalent in vivo, highlighting the existence of multiple, distinct mechanisms by which TFG mutations contribute to neurodegenerative disease.
Structure of the microtubule anchoring factor NEDD1 bound to the γ-tubulin ring complex
Authors: Muñoz-Hernández Hugo , Xu Yixin , Zhang Daniel , Xue Allen , Aher Amol , Camardiel Aitor Pellicer , Walker Ellie , Marxer Florina , Kapoor Tarun M. , Wieczorek Michal
Published: November 2024

The γ-tubulin ring complex (γ-TuRC) is an essential multiprotein assembly, in which γ-tubulin, GCP2-6, actin, MZT1 and MZT2 form an asymmetric cone-shaped structure that provides a template for microtubule nucleation. The γ-TuRC is recruited to microtubule organizing centers (MTOCs), such as centrosomes and pre-existing mitotic spindle microtubules, via the evolutionarily-conserved attachment factor NEDD1. NEDD1 contains an N-terminal WD40 domain that binds to microtubules, and a C-terminal domain that associates with the γ-TuRC. However, the structural basis of the NEDD1-γ-TuRC interaction is not known. Here, we report cryo-electron microscopy (cryo-EM) structures of NEDD1 bound to the human γ-TuRC in the absence or presence of the activating factor CDK5RAP2, which interacts with GCP2 to induce conformational changes in the γ-TuRC and promote its microtubule nucleating function. We found that the C-terminus of NEDD1 forms a tetrameric α-helical assembly that contacts the lumen of the γ-TuRC cone, is anchored to GCP4, 5 and 6 via protein modules consisting of MZT1 & GCP3 subcomplexes, and orients its microtubule-binding WD40 domains away from the complex. We biochemically tested our structural models by identifying NEDD1 mutants unable to pull-downγ-tubulin from cultured cells. The structure of the γ-TuRC simultaneously bound to NEDD1 and CDK5RAP2 reveals that both factors can associate with the “open” conformation of the complex. Our results show that NEDD1 does not induce conformational changes in the γ-TuRC, but suggest that anchoring of γ-TuRC-capped microtubules by NEDD1 would be structurally compatible with the significant conformational changes experienced by the γ-TuRC during microtubule nucleation.
Multiplicity distributions in the eikonal and the
U
-matrix unitarization schemes
Authors: Luna E. G. S. , Ryskin M. G.
Published: November 2024

The multiplicity distribution of charged particles produced in the central rapidity (|η|<2.5) region is calculated for the eikonal and the U-matrix unitarization schemes using the Abramovsky-Gribov-Kancheli (AGK) cutting rules and compared with the ATLAS 13 TeV data. The data favors the eikonal approach.

Published by the American Physical Society
2024
Gravitational waves of nonextremal Kerr black holes from conformal symmetry
Authors: Nian Jun , Tian Weijie
Published: November 2024

In the low-energy limit, the near region of a generic Kerr black hole has been conjectured to be holographically dual to a two-dimensional conformal field theory. In this paper, we consider a test object orbiting in the near region of a nonextremal Kerr black hole. We first couple it to a massless scalar field. The resulting scalar radiation at the horizon is computed from the perspectives of gravity and dual conformal field theory. Considering the influence of nonzero temperature, the agreement of both computations is found. Then, we generalize the analysis to the gravitational radiation and find agreement again. The agreement supports the conjectured holography and provides a potential theoretical tool for gravitational wave computations.

Published by the American Physical Society
2024
Closing in on possible scenarios for infinite-layer nickelates: Comparison of dynamical mean-field theory with angular-resolved photoemission spectroscopy
Authors: Si Liang , Jacob Eric , Wu Wenfeng , Hausoel Andreas , Krsnik Juraj , Worm Paul , Di Cataldo Simone , Janson Oleg , Held Karsten
Published: November 2024

Conflicting theoretical scenarios for infinite-layer nickelate superconductors have been hotly debated, particularly regarding whether only a single Ni-3dx2−y2 band is relevant at low energies besides electron pockets or whether multiorbital physics including Ni-3dz2 is instead essential. The first scenario has emerged from density-functional theory plus dynamical mean-field theory (DFT + DMFT) calculations. Comparing the previous DFT + DMFT spectra to recent angular-resolved photoemission spectroscopy (ARPES) experiments, we find excellent agreement for both the Fermi surface and the strongly renormalized quasiparticle bands, supporting the first scenario. Our key findings further suggest that the “waterfalls” observed in ARPES might emerge from the quasiparticle-to-Hubbard-band crossover, and that additional spectral weight close to the A pocket likely originates from the Ni-3dxy orbital.

Published by the American Physical Society
2024
Optical Time-Domain Quantum State Tomography on a Subcycle Scale
Authors: Hubenschmid Emanuel , Guedes Thiago L. M. , Burkard Guido
Published: November 2024

Following recent progress in the experimental application of electro-optic sampling to the detection of the quantum fluctuations of the electromagnetic-field ground state and ultrabroadband squeezed states on a subcycle scale, we propose an approach to elevate broadband electro-optic sampling from a spectroscopic method to a full quantum tomography scheme, able to reconstruct a free-space quantum state directly in the time domain. By combining two recently developed methods to theoretically describe quantum electro-optic sampling, we analytically relate the photon-count probability distribution of the electro-optic signal to a transformed phase-space quasiprobability distribution of the sampled quantum state as a function of the time delay between the sampled midinfrared pulsed state and an ultrabroadband near-infrared probe pulse. We catalog and analyze sources of noise and show that in quantum electro-optic sampling with an ultrabroadband probe pulse one can expect to observe thermalization due to entanglement breaking. Mitigation of the thermalization noise enables a tomographic reconstruction of broadband quantum states while granting access to its dynamics on a subcycle scale.

Published by the American Physical Society
2024
Transiently Increased Coordination in Gene Regulation During Cell Phenotypic Transitions
Authors: Wang Weikang , Ni Ke , Poe Dante , Xing Jianhua
Published: November 2024

Phenotype transitions occur in many biological processes such as differentiation and reprogramming. A fundamental question is how cells coordinate switching of gene expression clusters. By analyzing single-cell RNA sequencing data within the framework of transition path theory, we studied the genome-wide expression program switching in five different cell transition processes. For each process we reconstructed a reaction coordinate describing the transition progression, and we inferred the gene regulatory network along this reaction coordinate. In all processes we observed a common pattern: the overall effective number and strength of regulation between different communities increase first and then decrease. This change is accompanied by similar changes in gene regulatory network frustration—defined as the overall conflict between the regulation received by genes and their expression states. Complementing previous studies suggesting that biological networks are modularized to contain perturbation effects locally, our analyses on the five cell transition processes likely reveal a general principle: during a cell phenotypic transition, intercommunity interactions increase to concertedly coordinate global gene expression reprogramming and canalize to specific cell phenotype, as Waddington visioned.

Published by the American Physical Society
2024
The cadmium oxidotellurates(IV) Cd5(TeO3)4(NO3)2 and Cd4Te5O14
Authors: Eder Felix , Weil Matthias
Published: November 2024

Monoclinic single crystals of Cd5(TeO3)4(NO3)2 (space group P21/c), pentacadmium tetrakis[oxidotellurate(IV)] dinitrate, and of Cd4Te5O14 (space group C2/c), tetracadmium pentaoxidotellurate(IV), were obtained under the same hydrothermal conditions. Whereas the crystal structure of Cd5(TeO3)4(NO3)2 is distinctively layered, that of Cd4Te5O14 exhibits a tri-periodic framework. In Cd5(TeO3)4(NO3)2, the three CdII atoms have coordination numbers (CN) of 7, 6 and 6. The two types of [CdO6] and the [CdO7] polyhedra [bond lengths range from 2.179 (3) to 2.658 (2) Å] share corners and edges, resulting in layers extending parallel to (100). Both TeIV atoms are coordinated by three oxygen atoms in a trigonal–pyramidal shape. The oxygen atoms of the isolated [TeO3] groups [bond lengths range from 1.847 (3) to 1.886 (3) Å] all are part of the cadmium–oxygen layer. The electron lone pairs ψ of the TeIV atoms are directed away from the layer on both sides. The available interlayer space is co-occupied by the nitrate group, which is directly connected with two of its O atoms to the layer whereas the third O atom is solely bonded to the N atom and points towards the adjacent layer. In Cd4Te5O14, all three unique CdII atoms are coordinated by six oxygen atoms, considering Cd—O distances from 2.235 (2) to 2.539 (2) Å. By edge- and corner-sharing, the distorted [CdO6] polyhedra form an open framework that is partially filled with three different stereochemically active TeIV atoms. All of them exhibit a CN of 4, with Te—O bonds in a range from 1.859 (2) to 2.476 (2) Å. The corresponding [TeO4] units are linked to each other by corner- and edge-sharing, forming infinite helical 1
∞[Te10O28] chains extending parallel to [203]. The connectivity in the chains can be described as (...–⋄–⋄=⋄–⋄–⋄–⋄–⋄=⋄–⋄–⋄–...)
n
where ‘⋄’ denotes a [TeO4] unit, ‘–’ a linkage via corners and ‘=’ a linkage via edges. Such a structural motif is unprecedented in the crystal chemistry of oxidotellurate(IV) compounds.
Crystal structure and Hirshfeld surface analysis of bis(benzoylacetonato)(ethanol)dioxidouranium(VI)
Authors: Jabborova Xolida , Tursinboyeva Xusnida , Ruzieva Bakhtigul , Turgunov Kambarali , Ashurov Jamshid , Tojiboev Akmaljon , Daminova Shahlo
Published: November 2024

A new uranium metal–organic complex salt, [U(C10H9O2)2O2(C2H6O)], with benzoyl acetone, namely, bis(benzoylacetonato)(ethanol)dioxidouranium(VI), was synthesized. The compound has monoclinic P21/n symmetry. The geometry of the seven-coordinate U atom is pentagonal bipyramidal, with the uranyl oxygen atoms in apical positions. In the complex, the ligands bind to the metal through oxygen atoms. Additional weak O—H...O contacts between the cations and anions consolidate the three-dimensional arrangement of the structure. On the Hirshfeld surface, the largest contributions come from the short contacts such as van der Waals forces, including H...H, O...H and C...H. Interactions including C...C and O...C contacts were also observed; however, their contribution to the overall cohesion of the crystal structure is minor. A packing analysis was performed to check the strength of the crystal packing.
Impact of firm’s supply chain network position on digital transformation: evidence from China
Authors: Yan Haifeng , Yang Xinyue
Published: November 2024

Purpose

Given the complexity and increasing interdependence of supply chain networks, a broader perspective beyond a simple binary relationship is needed to analyse the impact of supply chain networks on firms. Based on social network theory, this study aims to explore the relationship between firms’ network position in the supply chain network and digital transformation, as well as the moderating effects of structural holes and network partners’ digitalisation.

Design/methodology/approach

This study analyses a sample of Chinese A-share companies listed on the Shanghai and Shenzhen Stock Exchanges for the period 2011–2020 using regression analysis to test hypothesised relationships.

Findings

A firm’s centrality in the supply chain network is positively related to its digital transformation, and that the firm’s structural holes and the level of network partners’ digitalisation can both strengthen the positive influence of network centrality on digital transformation. Moreover, the heterogeneity analysis reveals that the positive effect of firms’ network centrality on digital transformation is more pronounced in non-SOEs and upstream firms.

Practical implications

In the pursuit of digital transformation, firms should recognise the significance of their position in the supply chain network and enhance their capability for information and resource acquisition by proactively strengthening their business cooperation with other network members. Moreover, firms should emphasise the value of open networks and their partners in supply chain networks.

Originality/value

This study applies social network theory to investigate the role of a firm’s external supply chain network in its digital transformation, clarifying the context and boundaries in which a firm’s position in the supply chain network influences digital transformation. The results extend the research and theoretical perspective on digital transformation and the consequences of supply chain networks.
A multi-objective constraint programming approach to address clustering problems in mine planning
Authors: Mariz Jorge Luiz Valença , Peroni Rodrigo de Lemos , Silva Ricardo Martins de Abreu , Badiozamani Mohammad Mahdi , Askari-Nasab Hooman
Published: November 2024

Purpose

The mine sequencing problem is NP-hard. Therefore, simplifying it is necessary. One way to do this is to employ clusters as input instead of individual blocks. The mining cut clustering problem has been little addressed in the literature, and the solutions used are almost always heuristic. We solve the mining cut clustering problem, which is NP-hard, through single- and multi-objective optimization, finding results that are local optima in acceptable computational time.

Design/methodology/approach

We first elaborate an ILP-based model to address the mining cut clustering problem. We employ a mono-objective approach and two multi-objective approaches, solving all these models by constraint programming. To choose the best solutions generated by multi-objective approaches, we employ two multi-criteria decision analysis approaches, considering different weight configurations. We developed a case study using real data.

Findings

We verified that the approaches based on multi-objective optimization performed better than the mono-objective approach for the economic return criterion. The weighted-sum multi-objective approach presented the best results considering all objective functions used. Once viable solutions were obtained through multi-objective optimization, multi-criteria decision analysis approaches almost always selected the same solution. We obtained solutions that are local optima in acceptable computational time.

Research limitations/implications

This study solves an instance with 80 blocks. Consequently, it is aimed at short-term mine planning. The methodology has not yet been evaluated in large instances related to medium- and long-term mine planning.

Originality/value

This is the first time that multi-objective optimization has been employed to solve the mining cut custering problem. Even other problems related to mine planning were, at most, solved by goal programming, so that multi-objective optimization is a knowledge that is not widespread among mining researchers. The results are consistent, and the study achieves the objective of finding quality solutions to an NP-hard problem in an acceptable computational time.
Pathways to motivation and learning in English language education: a case of two youths engaging in multiliteracies
Authors: Karjagdi Çolak Miranda
Published: November 2024

Purpose

This study investigates the effect of digital multimodal composing (DMC) on student motivation and literacy in English as a Foreign Language (EFL) contexts. It explores how students engaged in creating digital animations to respond to literary texts and the implications for integrating DMC into traditional literacy practices. Grounded in social semiotic theory and Self-Determination Theory, this study aims to understand how digital composing influences student engagement, motivation and literacy development.

Design/methodology/approach

Qualitative data were gathered over a six-month period using a combination of student surveys, semi-structured interviews, reflection logs and student-produced scripts/animations. This study focused on two university students who engaged in multimodal projects as part of their extracurricular EFL activities, examining their processes and reflections.

Findings

Students demonstrated strong intrinsic motivation during DMC processes, largely due to the social affordances provided by digital multimodal composing. By combining traditional literacy skills with digital practices, students experienced enhanced creative expression, enhanced meaning-making and a deeper understanding of literary texts through the production and sharing of animated videos. This process promoted both emotional and cognitive engagement, emphasizing the importance of teacher guidance and digital tools in creating a more dynamic and supportive learning environment.

Practical implications

This study outlines a practical approach to DMC through a structured process: selecting and reading a book, proposing a change as if requesting it from the author, creating and sharing a video on YouTube to explain the change and reflecting on the experience. This approach can guide educators in designing activities that deepen student engagement, enhance critical thinking and integrate digital tools with traditional learning methods.

Originality/value

This study contributes to the understanding of how digital technologies can transform traditional literacy practices, offering insights into the benefits of multimodal composition for language learning and motivation in EFL contexts. It provides practical examples of how students and teachers can leverage digital tools to enhance literacy education and prepare students for 21st-century challenges.
Examining the implementation of UN sustainable development goals in Brazilian universities
Authors: Rosa Marcos Roque da , Moggi Sara , Boscarioli Clodis , Freitas Zara Kátya Regina de
Published: November 2024

Purpose

This study aims to examine how Brazilian universities have implemented the sustainable development goals (SDGs) in institutional practices, curriculum and teaching, management and community outreach programs.

Design/methodology/approach

This study is based on content analysis of the data sets of Brazilian higher education courses and their link to SDGs. A literature review has also been developed to integrate the knowledge of sustainability practices in Brazilian universities. Dashboards will be used to present the related findings.

Findings

Brazilian universities’ practices have concentrated their efforts on SDGs, which include responsible consumption and production, sustainable cities and communities and quality education. The literature emphasizes energy efficiency, reflecting its prominence as a subject of study among universities.

Originality/value

This research highlights the innovative use of data analysis techniques to present the findings. It also provides examples of environmental, social and governance (ESG) practices, frameworks and tools that can help sustainability management in this sector.
Impact of sports brands’ activities: Are consumers willing to pay a price premium?
Authors: Ryu Min-Ah , Kim Han Soo , Chiu Weisheng , Lee Seomgyun
Published: November 2024

Purpose

The environmental, social and governance (ESG) movement has become a global phenomenon, penetrating even the sports branding industry. Accordingly, this study investigated whether ESG activities can lead to positive attitudes among customers and thereby affect their behavioral intentions.

Design/methodology/approach

We collected data by administering questionnaires to 154 consumers, after which we conducted partial least squares structural equation modeling to test the hypothesized relationships.

Findings

The results indicated that ESG activities favorably influenced brand image and brand loyalty. Brand loyalty was positively associated with the willingness to pay (WTP) for a price premium. The indirect effect of brand loyalty was confirmed in the association between ESG activities and WTP a price premium. ESG activities indirectly affected WTP a price premium via serial mediation through brand image and brand loyalty.

Originality/value

This research extends our understanding of the mechanism behind consumers’ decision-making processes on the basis of ESG activities and their impact on WTP a price premium.
Visual software defect prediction method based on improved recurrent criss-cross residual network
Authors: Chen Liqiong , Yunjie Lei , Huaiying Sun
Published: November 2024

Purpose

This study aims to solve the problems of large training sample size, low data sample quality, low efficiency of the currently used classical model, high computational complexity of the existing concern mechanism, and high graphics processing unit (GPU) occupancy in the current visualization software defect prediction, proposing a method for software defect prediction termed recurrent criss-cross attention for weighted activation functions of recurrent SE-ResNet (RCCA-WRSR). First, following code visualization, the activation functions of the SE-ResNet model are replaced with a weighted combination of Relu and Elu to enhance model convergence. Additionally, an SE module is added before it to filter feature information, eliminating low-weight features to generate an improved residual network model, WRSR. To focus more on contextual information and establish connections between a pixel and those not in the same cross-path, the visualized red as integer, green as integer, blue as integer images are inputted into a model incorporating a fused RCCA module for defect prediction.

Design/methodology/approach

Software defect prediction based on code visualization is a new software defect prediction technology, which mainly realizes the defect prediction of code by visualizing code as image, and then applying attention mechanism to extract the features of image. However, the challenges of current visualization software defect prediction mainly include the large training sample size and low sample quality of the data, and the classical models used today are not efficient, and the existing attention mechanisms have high computational complexity and high GPU occupancy.

Findings

Experimental evaluation using ten open-source Java data sets from PROMISE and five existing methods demonstrates that the proposed approach achieves an F-measure value of 0.637 in predicting 16 cross-version projects, representing a 6.1% improvement.

Originality/value

RCCA-WRSR is a new visual software defect prediction based on recurrent criss-cross attention and improved residual network. This method effectively enhances the performance of software defect prediction.
The Pijao Indians in the Colombian Andes: a legacy for organizational democracy
Authors: Perilla Maluche Ricardo Benjamín
Published: November 2024

Purpose

The purpose of this paper is to present the organizational and managerial practices of the Pijaos community as a segmentary organization located in the Colombian Andes, providing a cultural legacy through the effective management of power and authority, while establishing a bridge to organizational democracy (OD).

Design/methodology/approach

A review of books, papers and historiographies was conducted to collect historical data on the Pijaos.

Findings

It was found that the social organization of the Pijaos was devoid of power ambitions and abuses of authority, thanks to characteristics inherent in their economic system, parenting style, socio-political structure and authority based on rotation of leaders rather than supreme delegation under an inheritance scheme.

Originality/value

Management literature has not considered the ancestral Amerindian communities of the southern continent to rescue their organizational practices and relate them to the new management trends, as organizational democracy, which not only operates based on flat structures but also considers the rotation of individuals holding positions of power.
Presidential prerogative, congressional inaction, and the problem of presidential libraries
Authors: Guay Abigail
Published: November 2024

Purpose

In the context of an analysis of stopgap and reactionary presidential library and records act, the purpose of this paper is to consider how the separation of the Obama Presidential Library from the Obama Presidential Center illuminates fundamental flaws in the public-private model that demand a more comprehensive legislative solution.

Design/methodology/approach

Drawing upon government, academic and public sources, this paper examines the legislation of presidential records and libraries to gain perspective on the presidential library system and the Obama Presidential Center, the first post-Presidential Records Act institution to operate independently of the National Archives and Records Administration (NARA).

Findings

This paper traces the evolution of presidential library statutes and standards to reveal how the genesis of an independent Obama Presidential Center strained an already stressed system, creating significant questions about its future.

Originality/value

This paper offers an original treatment of the statutes governing NARA’s administration of presidential libraries, framing a cycle of calls and responses, with the acts of individual presidents eliciting acts of Congress. Also original, and timely, is the treatment in this paper of how these laws created the conditions for an independent Obama Presidential Center.
Assessing vertical seed dispersal through seed oxygen isotope ratios of Japanese larch (Larix kaempferi)
Authors: Naoe Shoji , Ubukata Masatoshi , Tsunamoto Yoshihiro , Tayasu Ichiro
Published: November 2024

Vertical seed dispersal, involving seed movement to higher or lower elevations, plays a vital role in plant adaptation to rising temperatures. However, its assessment has been limited owing to labor‐intensive processes. A recently developed method exploits the negative correlation between elevation and seed oxygen isotope ratios (18O/16O; hereafter δ18O) for efficient evaluation of vertical seed dispersal. Nevertheless, it remains unclear whether this method is suitable for conifers and whether plant size and age introduce noise into δ18O values, which would affect vertical seed dispersal estimations. In this study, we investigated the association between elevation and seed δ18O values of Japanese larch (Larix kaempferi) and explored the relationship among these oxygen isotope ratios, tree height, diameter at breast height (DBH), and age. Notably, we found a negative correlation between elevation and seed δ18O values of L. kaempferi but failed to detect any influence of tree height, DBH, and age on these oxygen isotope ratios. These findings suggest this method's potential for accurately estimating vertical seed dispersal across diverse plant lineages.