bluuebunny/crossref_metadata_2025 huggingface dataset:
Lesen Mädchen besser als Jungen?
Authors: Horbach Josefine , Günther Thomas
Published: October 2024

Zusammenfassung: Hintergrund: Durch internationale Bildungsstudien werden Geschlechterunterschiede zugunsten der Mädchen in der Lesekompetenz und ihre Auswirkungen für die schulische Leistungsfähigkeit diskutiert. In der vorliegenden Studie wird sich mit der Frage befasst, ob sich Mädchen und Jungen bereits im frühen Leseerwerb (1. Klasse) bis hin zum automatisierten Lesen (5. Klasse) gemessen an der Lesegeschwindigkeit sowie in komplexeren Aufgaben, dem Lesesinnverständnis, unterscheiden. Methode: Mithilfe von gemischten linearen Modellen wurden die Leseleistungen von Jungen und Mädchen mit guten und schwachen Leseleistungen über vier Zeitpunkte hinweg modelliert. Ergebnis: Die Ergebnisse zeigten keine Geschlechterunterschiede in der Entwicklung der Lesegeschwindigkeit sowohl beim Lesen von Wörtern als auch von Pseudowörtern. Mädchen wiesen im gesamten Zeitraum etwas bessere Leseverständnisleistungen auf als Jungen. Diese Effekte sind allerdings gering. Gute und schwache Leser unterschieden sich deutlich in ihrer Leseentwicklung, dieser Effekt war aber unabhängig vom Geschlecht. Diskussion: Die Geschlechterunabhängigkeit in der Lesegeschwindigkeit legt nahe, dass in der Diagnostik und der Förderung der Lesegeschwindigkeit keine geschlechterspezifischen Ansätze erforderlich sind. Da der Vorteil der Mädchen im Leseverständnis minimal ist und über die Zeit stabil bleibt, scheint dieser Unterschied im Alltag nicht relevant.
Dynamics and Detection of Pulsed Tremor at Whakaari (White Island), Aotearoa New Zealand
Authors: Steinke B. , Jolly A. D. , Girona T. , Caudron C. , Bramwell L. A. , Cronin S. J. , Illsley‐Kemp F. , Hughes E. C.
Published: October 2024

Volcanic tremor is a crucial indicator for assessing the state and hazard potential of volcanic systems. At Whakaari (White Island volcano, Aotearoa New Zealand), a pulsed tremor signal emerged after a hydrothermal explosion in August 2012. The tremor accompanied the extrusion of a lava dome, before gradually disappearing prior to the onset of renewed hydrothermal activity in January 2013. We interpret this seismic signal to represent discrete gas transfers from a magmatic intrusion toward a permeable cap—possibly a hydrothermal seal—in the upper layers of Whakaari's hydrothermal system. Such tremor may thus be associated with heightened potential for hazardous explosive activity but is difficult to detect using conventional seismic monitoring parameters. To highlight the emergence of subtle periodic signals, we experiment with Lomb‐Scargle periodograms (LS). LS detect the tremor 5 days before it becomes visible in seismograms, thus facilitating the recognition of such elusive seismic patterns.
Mechanism of Coupled Upper Troposphere and Boundary Layer Induces Two Types of Short‐Term Heavy Rainfall Along the Eastern Foothills of the Taihang Mountains
Authors: Li Yan , Wang Qingyu , Wei Yue , Tang Jianping
Published: October 2024

Using 11 years of hourly merged rainfall records and ERA reanalysis data, this paper reveals two major circulation modes leading to two types of short‐term heavy rainfall (STHR) along the Taihang Mountains' eastern foothills, and further explains their mechanisms. One circulation mode has a distinct warm anomaly at 300 hPa covering most areas of North China, together with the boundary‐layer westerly anomaly occurring in North China and its southern region (UTWA‐BLWA). UTWA‐BLWA effectively contributes to the reinforcement of the upper‐level divergence and the low‐level moisture convergence by promoting the strengthening of upper anticyclonic and low‐level southwesterly anomalies. The combined effects of low‐level jet (LLJ) and topographic uplift form the central‐northern STHR pattern. The other circulation structure has a 300‐hPa warm anomaly located to the southeastern Russia and a prominent 300‐hPa cold anomaly covering the south, together with the boundary‐layer easterly anomaly occurring over the whole region of eastern China (UTCA‐BLEA). The southern STHR pattern is attributed to the exit of the boundary‐layer jet (BLJ) over lower elevations due to moist transport and dynamic uplift associated with the easterly anomaly. The results indicate that the locations of STHR are related to the direction, intensity, and height of the LLJ. The findings highlight that the upper‐tropospheric temperature anomalies (UTTA) and boundary‐layer easterly flow jointly modulate heavy rainfall. Analysis of the coupled upper troposphere and boundary layer could help understand and forecast heavy rainfall.
Calving Dynamics and the Potential Impact of Mélange Buttressing at the Western Calving Front of Thwaites Glacier, West Antarctica
Authors: Crawford Anna , Åström Jan , Benn Douglas I. , Luckman Adrian , Gladstone Rupert , Zwinger Thomas , Robertsén Fredrik , Bevan Suzanne
Published: October 2024

The western region of the wide Thwaites Glacier terminus is characterized by a near‐vertical calving front. The grounding line at this western calving front (WCF) rests on a relatively high ridge, behind which exists a reverse‐sloping bed; retreat of the grounding line into this over‐deepening basin could therefore expose deep calving faces that may be subject to ice‐cliff failure. Here, we use the 3D Helsinki Discrete Element Model to identify the factors that control the calving dynamics in this location. We then focus on the ability of mélange to influence these dynamics given the wide embayment in which Thwaites Glacier terminates. We find that calving along the WCF is currently influenced by ice flow across the grounding line and consequent longitudinal tensile stress and rift formation. Calving is slowed in simulations that are initiated with a highly constricted mélange, with a thicker mélange suppressing calving entirely. We liken the constrained simulations to a scenario in which mélange piles behind a large grounded iceberg. In a future which may see calving become a more dominant control on the retreat of Thwaites Glacier, this type of blockage will be necessary for robust force chains to develop and transmit resistive forces to the terminus. The ability of the mélange to hinder calving at this location will be determined by the presence and rigidity of binding land‐fast sea ice and iceberg keel depths. Therefore, it is necessary to represent calving, mélange and sea ice in a single framework to predict the fate of Thwaites Glacier.
An Integrated Machine Learning Workflow to Estimate In Situ Stresses Based on Downhole Sonic Logs and Laboratory Triaxial Ultrasonic Velocity Data
Authors: Mustafa Ayyaz , Kelley Mark , Lu Guanyi , Bunger Andrew P.
Published: October 2024

The optimum performance of various subsurface operations such as stimulation treatments, wellbore drilling, horizontal well placement, underground mining, and tunneling rely on accurate estimation of the in situ stresses. This study presents an integrated machine learning (ML) workflow for the reliable determination of the in situ stress in subsurface rock formations. The study workflow was completed in three phases. In the first phase, six supervised ML regression techniques were employed to develop the stress prediction models using laboratory true triaxial ultrasonic velocity tests (labTUV) data of subsurface rock samples retrieved from well 16A(78)‐32 located at the Utah FORGE geothermal site. In the second phase, subsurface geological formations were classified into rock facies using an unsupervised K‐means clustering algorithm. Finally, in the third phase, the optimized ML models were employed for predicting the in situ stresses in the corresponding rock facies in the well 16A(78)‐32 using field sonic logs. A comparison of evaluation metrics revealed the superior performance of ANN models for horizontal and vertical stress predictions with root mean squared error of 1.5, 0.6, and 1.7 MPa, and determination coefficient (R2) of 0.98, 0.98, and 0.96, for the testing/validation phases, respectively. The generalization capability of ML models was explored by uncovering the underlying physics. The mathematical expressions of constitutive relations were extracted from three ANN models. Further, a total of five rock facies were identified in the subsurface geological formations. The novel workflow would be capable of delivering reliable in situ stress profiles in subsurface geological formations without performing expensive field tests.
Assessment of the Weimer Geomagnetic Perturbation Model for High‐Latitude Positioning and Navigation
Authors: Califf S. , Nair M. , Weimer D. , Zachman N. , Poedjono B.
Published: October 2024

The Geomagnetism Group at the National Centers for Environmental Information (NCEI), in collaboration with the Cooperative Institute for Research in Environmental Sciences (CIRES), along with various government and industry partners, specializes in developing and providing access to Earth's internal magnetic field models. These models are crucial for applications such as compass navigation and wellbore positioning, offering reference values for the geomagnetic field (total field, dip or inclination, and declination) at any location across the Earth. This study assesses the Weimer geomagnetic perturbation model, proposed by Weimer in 2013, which is an empirical model of magnetic field variations at high latitudes driven by solar wind measurements, as a candidate for capturing geomagnetic field variations in high‐latitude areas. We compare the geomagnetic field variations predicted by the Weimer model against data from the INTERMAGNET and SuperMAG observatory networks. Our findings indicate that the Weimer model achieves a reduction in the standard deviations of high‐latitude magnetic field variations by approximately 20%–30% once quiet‐time baselines are removed from the data set. Furthermore, we compare the performance of the Weimer model against the Space Weather Modeling Framework's Geospace model during specific geomagnetic storms in 2017 and 2018, and we find that the Weimer model is more effective in predicting magnetic variations at high latitudes than the Geospace model during these storms. Additionally, comparisons to magnetometer data collected from high‐latitude directional‐drilling operations align with the trends observed in comparisons with INTERMAGNET and SuperMAG observatory data, confirming the Weimer model's reliability and effectiveness for such applications.
USP10 drives cancer stemness and enables super-competitor signalling in colorectal cancer
Authors: Reissland Michaela , Hartmann Oliver , Tauch Saskia , Bugter Jeroen M. , Prieto-Garcia Cristian , Schulte Clemens , Loebbert Sinah , Solvie Daniel , Bitman-Lotan Eliya , Narain Ashwin , Jacomin Anne-Claire , Schuelein-Voelk Christina , Fuss Carmina T. , Pahor Nikolett , Ade Carsten , Buck Viktoria , Potente Michael , Li Vivian , Beliu Gerti , Wiegering Armin , Grossmann Tom , Eilers Martin , Wolf Elmar , Maric Hans , Rosenfeldt Mathias , Maurice Madelon M. , Dikic Ivan , Gallant Peter , Orian Amir , Diefenbacher Markus E.
Published: October 2024

The contribution of deubiquitylating enzymes (DUBs) to β-Catenin stabilization in intestinal stem cells and colorectal cancer (CRC) is poorly understood. Here, and by using an unbiassed screen, we discovered that the DUB USP10 stabilizes β-Catenin specifically in APC-truncated CRC in vitro and in vivo. Mechanistic studies, including in vitro binding together with computational modelling, revealed that USP10 binding to β-Catenin is mediated via the unstructured N-terminus of USP10 and is outcompeted by intact APC, favouring β-catenin degradation. However, in APC-truncated cancer cells USP10 binds to β-catenin, increasing its stability which is critical for maintaining an undifferentiated tumour identity. Elimination of USP10 reduces the expression of WNT and stem cell signatures and induces the expression of differentiation genes. Remarkably, silencing of USP10 in murine and patient-derived CRC organoids established that it is essential for NOTUM signalling and the APC super competitor-phenotype, reducing tumorigenic properties of APC-truncated CRC. These findings are clinically relevant as patient-derived organoids are highly dependent on USP10, and abundance of USP10 correlates with poorer prognosis of CRC patients. Our findings reveal, therefore, a role for USP10 in CRC cell identity, stemness, and tumorigenic growth by stabilising β-Catenin, leading to aberrant WNT signalling and degradation resistant tumours. Thus, USP10 emerges as a unique therapeutic target in APC truncated CRC.
Identifying the best candidate for focal therapy: a comprehensive review
Authors: Ghoreifi Alireza , Gomella Leonard , Hu Jim C. , Konety Badrinath , Lunelli Luca , Rastinehad Ardeshir R. , Salomon Georg , Taneja Samir , Tourinho-Barbosa Rafael , Lebastchi Amir H.
Published: October 2024

Background

Despite the evidence supporting the use of focal therapy (FT) in patients with localized prostate cancer (PCa), considerable variability exists in the patient selection criteria across current studies. This study aims to review the most recent evidence concerning the optimal approach to patient selection for FT in PCa.

Methods

PubMed database was systematically queried for studies reporting patient selection criteria in FT for PCa before December 31, 2023. After excluding non-relevant articles and a quality assessment, data were extracted, and results were described qualitatively.

Results

There is no level I evidence regarding the best patient selection approach for FT in patients with PCa. Current international multidisciplinary consensus statements recommend multiparametric magnetic resonance imaging (mpMRI) followed by MRI-targeted and systematic biopsy for all candidates. FT may be considered in clinically localized, intermediate risk (Gleason 3 + 4 and 4 + 3), and preferably unifocal disease. Patients should have an acceptable life expectancy. Those with prostate volume >50 ml and erectile dysfunction should not be excluded from FT. Prostate-specific antigen (PSA) level of < 20 (ideally < 10) ng/mL is recommended. However, the utility of other molecular and genomic biomarkers in patient selection for FT remains unknown.

Conclusions

FT may be considered in well-selected patients with localized PCa. This review provides a comprehensive insight regarding the optimal approach for patient selection in FT.
TP53: the unluckiest of genes?
Authors: Joerger Andreas C. , Stiewe Thorsten , Soussi Thierry
Published: October 2024

The transcription factor p53 plays a key role in the cellular defense against cancer development. It is inactivated in virtually every tumor, and in every second tumor this inactivation is due to a mutation in the TP53 gene. In this perspective, we show that this diverse mutational spectrum is unique among all other cancer-associated proteins and discuss what drives the selection of TP53 mutations in cancer. We highlight that several factors conspire to make the p53 protein particularly vulnerable to inactivation by the mutations that constantly plague our genome. It appears that the TP53 gene has emerged as a victim of its own evolutionary past that shaped its structure and function towards a pluripotent tumor suppressor, but came with an increased structural fragility of its DNA-binding domain. TP53 loss of function - with associated dominant-negative effects - is the main mechanism that will impair TP53 tumor suppressive function, regardless of whether a neomorphic phenotype is associated with some of these variants.
Oncometabolites at the crossroads of genetic, epigenetic and ecological alterations in cancer
Authors: Lanzetti Letizia
Published: October 2024

By the time a tumor reaches clinical detectability, it contains around 108–109 cells. However, during tumor formation, significant cell loss occurs due to cell death. In some estimates, it could take up to a thousand cell generations, over a ~ 20-year life-span of a tumor, to reach clinical detectability, which would correspond to a “theoretical” generation of ~1030 cells. These rough calculations indicate that cancers are under negative selection. The fact that they thrive implies that they “evolve”, and that their evolutionary trajectories are shaped by the pressure of the environment. Evolvability of a cancer is a function of its heterogeneity, which could be at the genetic, epigenetic, and ecological/microenvironmental levels [1]. These principles were summarized in a proposed classification in which Evo (evolutionary) and Eco (ecological) indexes are used to label cancers [1]. The Evo index addresses cancer cell-autonomous heterogeneity (genetic/epigenetic). The Eco index describes the ecological landscape (non-cell-autonomous) in terms of hazards to cancer survival and resources available. The reciprocal influence of Evo and Eco components is critical, as it can trigger self-sustaining loops that shape cancer evolvability [2]. Among the various hallmarks of cancer [3], metabolic alterations appear unique in that they intersect with both Evo and Eco components. This is partly because altered metabolism leads to the accumulation of oncometabolites. These oncometabolites have traditionally been viewed as mediators of non-cell-autonomous alterations in the cancer microenvironment. However, they are now increasingly recognized as inducers of genetic and epigenetic modifications. Thus, oncometabolites are uniquely positioned at the crossroads of genetic, epigenetic and ecological alterations in cancer. In this review, the mechanisms of action of oncometabolites will be summarized, together with their roles in the Evo and Eco phenotypic components of cancer evolvability. An evolutionary perspective of the impact of oncometabolites on the natural history of cancer will be presented.
Long non-coding RNA-encoded micropeptides: functions, mechanisms and implications
Authors: Xiao Yinan , Ren Yaru , Hu Wenteng , Paliouras Athanasios R. , Zhang Wenyang , Zhong Linghui , Yang Kaixin , Su Li , Wang Peng , Li Yonghong , Ma Minjie , Shi Lei
Published: October 2024

Long non-coding RNAs (lncRNAs) are typically described as RNA transcripts exceeding 200 nucleotides in length, which do not code for proteins. Recent advancements in technology, including ribosome RNA sequencing and ribosome nascent-chain complex sequencing, have demonstrated that many lncRNAs retain small open reading frames and can potentially encode micropeptides. Emerging studies have revealed that these micropeptides, rather than lncRNAs themselves, are responsible for vital functions, including but not limited to regulating homeostasis, managing inflammation and the immune system, moderating metabolism, and influencing tumor progression. In this review, we initially outline the rapidly advancing computational analytical methods and public tools to predict and validate the potential encoding of lncRNAs. We then focus on the diverse functions of micropeptides and their underlying mechanisms in the pathogenesis of disease. This review aims to elucidate the functions of lncRNA-encoded micropeptides and explore their potential applications as therapeutic targets in cancer.
Scalable watermarking for identifying large language model outputs
Authors: Dathathri Sumanth , See Abigail , Ghaisas Sumedh , Huang Po-Sen , McAdam Rob , Welbl Johannes , Bachani Vandana , Kaskasoli Alex , Stanforth Robert , Matejovicova Tatiana , Hayes Jamie , Vyas Nidhi , Merey Majd Al , Brown-Cohen Jonah , Bunel Rudy , Balle Borja , Cemgil Taylan , Ahmed Zahra , Stacpoole Kitty , Shumailov Ilia , Baetu Ciprian , Gowal Sven , Hassabis Demis , Kohli Pushmeet
Published: October 2024

Large language models (LLMs) have enabled the generation of high-quality synthetic text, often indistinguishable from human-written content, at a scale that can markedly affect the nature of the information ecosystem1–3. Watermarking can help identify synthetic text and limit accidental or deliberate misuse4, but has not been adopted in production systems owing to stringent quality, detectability and computational efficiency requirements. Here we describe SynthID-Text, a production-ready text watermarking scheme that preserves text quality and enables high detection accuracy, with minimal latency overhead. SynthID-Text does not affect LLM training and modifies only the sampling procedure; watermark detection is computationally efficient, without using the underlying LLM. To enable watermarking at scale, we develop an algorithm integrating watermarking with speculative sampling, an efficiency technique frequently used in production systems5. Evaluations across multiple LLMs empirically show that SynthID-Text provides improved detectability over comparable methods, and standard benchmarks and human side-by-side ratings indicate no change in LLM capabilities. To demonstrate the feasibility of watermarking in large-scale-production systems, we conducted a live experiment that assessed feedback from nearly 20 million Gemini6 responses, again confirming the preservation of text quality. We hope that the availability of SynthID-Text7 will facilitate further development of watermarking and responsible use of LLM systems.
A transcriptomic hourglass in brown algae
Authors: Lotharukpong Jaruwatana Sodai , Zheng Min , Luthringer Rémy , Liesner Daniel , Drost Hajk-Georg , Coelho Susana M.
Published: October 2024

Complex multicellularity has emerged independently across a few eukaryotic lineages and is often associated with the rise of elaborate, tightly coordinated developmental processes1,2. How multicellularity and development are interconnected in evolution is a major question in biology. The hourglass model of embryonic evolution depicts how developmental processes are conserved during evolution, and predicts morphological and molecular divergence in early and late embryogenesis, bridged by a conserved mid-embryonic (phylotypic) period linked to the formation of the basic body plan3,4. Initially found in animal embryos5–8, molecular hourglass patterns have recently been proposed for land plants and fungi9,10. However, whether the hourglass pattern is an intrinsic feature of all complex multicellular eukaryotes remains unknown. Here we tested the presence of a molecular hourglass in the brown algae, a eukaryotic lineage that has evolved multicellularity independently from animals, fungi and plants1,11,12. By exploring transcriptome evolution patterns of brown algae with distinct morphological complexities, we uncovered an hourglass pattern during embryogenesis in morphologically complex species. Filamentous algae without canonical embryogenesis display transcriptome conservation in multicellular stages of the life cycle, whereas unicellular stages are more rapidly evolving. Our findings suggest that transcriptome conservation in brown algae is associated with cell differentiation stages, but is not necessarily linked to embryogenesis. Together with previous work in animals, plants and fungi, we provide further evidence for the generality of a developmental hourglass pattern across complex multicellular eukaryotes.
Machine-guided design of cell-type-targeting cis-regulatory elements
Authors: Gosai Sager J. , Castro Rodrigo I. , Fuentes Natalia , Butts John C. , Mouri Kousuke , Alasoadura Michael , Kales Susan , Nguyen Thanh Thanh L. , Noche Ramil R. , Rao Arya S. , Joy Mary T. , Sabeti Pardis C. , Reilly Steven K. , Tewhey Ryan
Published: October 2024

Cis-regulatory elements (CREs) control gene expression, orchestrating tissue identity, developmental timing and stimulus responses, which collectively define the thousands of unique cell types in the body1–3. While there is great potential for strategically incorporating CREs in therapeutic or biotechnology applications that require tissue specificity, there is no guarantee that an optimal CRE for these intended purposes has arisen naturally. Here we present a platform to engineer and validate synthetic CREs capable of driving gene expression with programmed cell-type specificity. We take advantage of innovations in deep neural network modelling of CRE activity across three cell types, efficient in silico optimization and massively parallel reporter assays to design and empirically test thousands of CREs4–8. Through large-scale in vitro validation, we show that synthetic sequences are more effective at driving cell-type-specific expression in three cell lines compared with natural sequences from the human genome and achieve specificity in analogous tissues when tested in vivo. Synthetic sequences exhibit distinct motif vocabulary associated with activity in the on-target cell type and a simultaneous reduction in the activity of off-target cells. Together, we provide a generalizable framework to prospectively engineer CREs from massively parallel reporter assay models and demonstrate the required literacy to write fit-for-purpose regulatory code.
A subcortical feeding circuit linking an interoceptive node to jaw movement
Authors: Kosse Christin , Ivanov Jessica , Knight Zachary , Pellegrino Kyle , Friedman Jeffrey
Published: October 2024

The brain processes an array of stimuli, enabling the selection of appropriate behavioural responses, but the neural pathways linking interoceptive inputs to outputs for feeding are poorly understood1–3. Here we delineate a subcortical circuit in which brain-derived neurotrophic factor (BDNF)-expressing neurons in the ventromedial hypothalamus (VMH) directly connect interoceptive inputs to motor centres, controlling food consumption and jaw movements. VMHBDNF neuron inhibition increases food intake by gating motor sequences of feeding through projections to premotor areas of the jaw. When food is unavailable, VMHBDNF inhibition elicits consummatory behaviours directed at inanimate objects such as wooden blocks, and inhibition of perimesencephalic trigeminal area (pMe5) projections evokes rhythmic jaw movements. The activity of these neurons is decreased during food consumption and increases when food is in proximity but not consumed. Activity is also increased in obese animals and after leptin treatment. VMHBDNF neurons receive monosynaptic inputs from both agouti-related peptide (AgRP) and proopiomelanocortin neurons in the arcuate nucleus (Arc), and constitutive VMHBDNF activation blocks the orexigenic effect of AgRP activation. These data indicate an Arc → VMHBDNF → pMe5 circuit that senses the energy state of an animal and regulates consummatory behaviours in a state-dependent manner.
Anti-viral defence by an mRNA ADP-ribosyltransferase that blocks translation
Authors: Vassallo Christopher N. , Doering Christopher R. , Laub Michael T.
Published: October 2024

Host–pathogen conflicts are crucibles of molecular innovation1,2. Selection for immunity to pathogens has driven the evolution of sophisticated immunity mechanisms throughout biology, including in bacterial defence against bacteriophages3. Here we characterize the widely distributed anti-phage defence system CmdTAC, which provides robust defence against infection by the T-even family of phages4. Our results support a model in which CmdC detects infection by sensing viral capsid proteins, ultimately leading to the activation of a toxic ADP-ribosyltransferase effector protein, CmdT. We show that newly synthesized capsid protein triggers dissociation of the chaperone CmdC from the CmdTAC complex, leading to destabilization and degradation of the antitoxin CmdA, with consequent liberation of the CmdT ADP-ribosyltransferase. Notably, CmdT does not target a protein, DNA or structured RNA, the known targets of other ADP-ribosyltransferases. Instead, CmdT modifies the N6 position of adenine in GA dinucleotides within single-stranded RNAs, leading to arrest of mRNA translation and inhibition of viral replication. Our work reveals a novel mechanism of anti-viral defence and a previously unknown but broadly distributed class of ADP-ribosyltransferases that target mRNA.
STM-based symbolic regression for strength prediction of RC deep beams and corbels
Authors: Megahed Khaled
Published: October 2024

This study uses symbolic regression with a strut-and-tie model to predict the shear strength of reinforced concrete deep beams (RCDBs) and corbels (RCCs). Previous studies have proposed two distinct types of models for estimating shear capacity: explainable models based on theoretical derivations and black-box models derived from machine learning (ML) methods. This study proposes a hybrid model derived from the strut-and-tie model (STM), where the performance of STM is enhanced through the ML approach using genetic programming. This model is based on a comprehensive experimental database of 810 tests for the shear strength of RC deep beams and 371 tests for RC corbels from various research papers. The developed STM-based symbolic regression (SR-STM) integrates two distinct force-transferring mechanisms: the diagonal strut mechanism utilizing concrete strength and the truss mechanism utilizing orthogonal web reinforcement. The SR-STM model is both robust and interpretable, demonstrating high prediction accuracy with mean values of the prediction-to-actual ratios of 0.999 and 1.004 and coefficient of determination values of 0.913 and 0.862 for RCDBs and RCCs, respectively, while providing explainable mathematical expressions that align with the mechanical principles of STM. The developed SR-STM model is benchmarked against several state-of-the-art models and evaluated against the CatBoost ML technique, demonstrating acceptable performance. The results highlight the SR-STM model’s effectiveness in providing reliable predictions and valuable insights for practical engineering applications. Furthermore, a SHAP (Shapley Additive Explanations) analysis was performed, and its results align with the SR-STM model, confirming the model’s effectiveness in accurately capturing the key factors influencing the shear strength of RCDBs and RCCs.
Carriage and antimicrobial susceptibility of commensal Neisseria species from the human oropharynx
Authors: Miari Victoria F. , Bonnin Wesley , Smith Imogen K. G. , Horney Megan F. , Saint-Geris Samer J. , Stabler Richard A.
Published: October 2024

Commensal Neisseria (Nc) mainly occupy the oropharynx of humans and animals. These organisms do not typically cause disease; however, they can act as a reservoir for antimicrobial resistance genes that can be acquired by pathogenic Neisseria species. This study characterised the carriage and antimicrobial susceptibility profiles of Nc from the oropharynx of 50 participants. Carriage prevalence of Nc species was 86% with 66% of participants colonised with more than one isolate. Isolates were identified by MALDI-ToF and the most common species was N. subflava (61.4%). Minimum inhibitory concentrations (MICs) to penicillin, ceftriaxone, ciprofloxacin, azithromycin, tetracycline, and gentamicin were determined by agar dilution and E-test was used for cefixime. Using Ng CLSI/EUCAST guidelines, Nc resistance rates were above the WHO threshold of 5% resistance in circulating strains for changing the first line treatment empirical antimicrobial: 5% (CLSI) and 13 (EUCAST) for ceftriaxone and 29.3% for azithromycin. Whole genome sequencing of 30 Nc isolates was performed, which identified AMR genes to macrolides and tetracycline. Core gene MLST clustered Nc into three main groups. Gonococcal DNA uptake sequences were identified in two Nc clusters. This suggests that Nc have the potential AMR gene pool and transfer sequences that can result in resistance transfer to pathogenic Neisseria within the nasopharyngeal niche.
Automated classification in turtles genus Malayemys using ensemble multiview image based on improved YOLOv8 with CNN
Authors: Songpan Wararat , Chaianunporn Thotsapol , Lomthaisong Khemika , Keithmaleesatti Sarun
Published: October 2024

In Thailand, two snail-eating turtle species in the genus Malayemes (M. subtrijuga and M. macrocephala) are protected animals in which smuggling and trading are illegal. Recently, a new species M. khoratensis has been reported and it has not yet been considered as protected animal species. To enforce the law, species identification of Malayemes is crucial. However, it is quite challenging and requires expertise. Therefore, a simple tool, such as image analysis, to differentiate these three snail-eating species would be highly useful. This study proposes a novel ensemble multiview image processing approach for the automated classification of three turtle species in the genus Malayemys. The original YOLOv8 architecture was improved by utilizing a convolutional neural network (CNN) to overcome the limitations of traditional identification methods. This model captures unique morphological features by analyzing Malayemys species images from various angles, addressing challenges such as occlusion and appearance variations. The ensemble multiview strategy significantly increases the YOLOv8 classification accuracy using a comprehensive dataset, achieving an average mean average precision (mAP) of 98% for the genus Malayemys compared with the nonensemble multiview and single-view strategies. The species identification accuracy of the proposed models was validated by comparing genetic methods using mitochondrial DNA with morphological characteristics. Even though the morphological characteristics of these three species are ambiguous, the mitochondrial DNA sequences are quite distinct. Therefore, this alternative tool should be used to increase confidence in field identification. In summary, the contribution of this study not only marks a significant advancement in computational biology but also supports wildlife and turtle conservation efforts by enabling rapid, accurate species identification.
Prediction of total and regional body composition from 3D body shape
Authors: Qiao Chexuan , Rolfe Emanuella De Lucia , Mak Ethan , Sengupta Akash , Powell Richard , Watson Laura P. E. , Heymsfield Steven B. , Shepherd John A. , Wareham Nicholas , Brage Soren , Cipolla Roberto
Published: October 2024

Accurate assessment of body composition is essential for evaluating the risk of chronic disease. 3D body shape, obtainable using smartphones, correlates strongly with body composition. We present a novel method that fits a 3D body mesh to a dual-energy X-ray absorptiometry (DXA) silhouette (emulating a single photograph) paired with anthropometric traits, and apply it to the multi-phase Fenland study comprising 12,435 adults. Using baseline data, we derive models predicting total and regional body composition metrics from these meshes. In Fenland follow-up data, all metrics were predicted with high correlations (r > 0.86). We also evaluate a smartphone app which reconstructs a 3D mesh from phone images to predict body composition metrics; this analysis also showed strong correlations (r > 0.84) for all metrics. The 3D body shape approach is a valid alternative to medical imaging that could offer accessible health parameters for monitoring the efficacy of lifestyle intervention programmes.
Using the Candidacy Framework to understand individual, interpersonal, and system level factors driving inequities in women with breast cancer: a cross-sectional study
Authors: Estupiñán Fdez. de Mesa Mar , Marcu Afrodita , Ream Emma , Whitaker Katriina L.
Published: October 2024

Background

Persistent inequities in breast cancer outcomes exist. Understanding women’s experiences along the care pathway is the first step to finding solutions to tackle these inequities.

Methods

Secondary data analysis of the 2017/2018 English National Cancer Patient Experience Survey (n = 25,408) using logistic regression to explore inequities in care experience by sociodemographic factors (age, ethnicity, socioeconomic position, sexual orientation) across 59 survey questions. We used the Candidacy Framework to interpret and organise our findings.

Results

Compared to older (65–74) and White British women, young (35-44, OR = 0.55 [0.44, 0.69]), Asian (OR = 0.52 [0.41, 0.67]), Black (OR = 0.67 [0.46, 0.97]) and White Other (OR = 0.63 [0.49, 0.81]) women were more likely to rate their overall care experience less positively, respectively. Similar findings were observed along all domains of the cancer pathway. Through a candidacy lens, we identified multilevel factors related to this variation including prolonged help-seeking behaviours (individual), poor patient-provider communication (interpersonal), and variation in access to healthcare professionals and resources (system level).

Conclusion

Multilevel factors influence inequities in the experience of care along the breast cancer pathway for young women and women from minoritised groups. Interventions are necessary to ensure cancer care systems are responsive to women’s health needs and provide equity of care to all patients.
Understanding deNOx mechanisms in transition metal exchanged zeolites
Authors: Abdul Nasir Jamal , Beale Andrew M. , Catlow C. Richard A.
Published: October 2024

Transition metal-containing zeolites have received considerable attention, owing to their application in the selective catalytic reduction of NOx. To understand their chemistry, both structural and mechanistic aspects at the atomic level are needed.
Substituted 2-arylquinoline and 2-methyl-1,2,3,4-tetrahydroquinoline derivatives with selective anticancer activity: synthesis, structure–activity relationships, and molecular modelling insights
Authors: Meléndez Carlos M. , Barraza Gustavo A. , Sojo Felipe , Arvelo Francisco , Kouznetsov Vladimir V.
Published: October 2024

2-Arylquinolines and THQ derivatives (4–22) showed selective cytotoxicity, with HeLa and PC3 cells exhibiting the highest activity. Docking studies revealed potential strong binding to KDM proteins.
Amphiphilic, phosphonic acid-capped cadmium selenide quantum dots sensitize a thiomolybdate catalyst for hydrogen production
Authors: Kosko Ryan M. , Wang Qirui , Peter Chari Y. M. , Phinney Elizabeth O. , Krauss Todd D. , Bren Kara L. , Matson Ellen M.
Published: October 2024

Combining a molecular thiomolybdate cluster, [Mo3S13]2−, with cadmium selenide quantum dots capped with amphiphilic ligands results in a highly active photocatalytic system for the production of hydrogen under visible light irradiation.
Elucidating the backbone degradation mechanism of poly(7-oxa-2,3-diazanorbornene)
Authors: Zhang Na , Dong Lianqiang , Wang Yu , Wang Xiaoyang , Wen Yixing , Lu Xueguang , Dong Yuanchen , You Wei
Published: October 2024

The degradation mechanisms of poly(7-oxa-2,3-diazanorbornene), which is a backbone-degradable polymer produced by living ring-opening metathesis polymerization, under both acidic and neutral pH environments are elucidated.
Multiphase coacervates: mimicking complex cellular structures through liquid–liquid phase separation
Authors: Wei Minghao , Wang Xiaokang , Qiao Yan
Published: October 2024

This review summarizes recent advancements in the study of multiphase coacervates, focusing on design strategies, underlying mechanisms, structural control, and their applications in biomimetics.
Deacetylative cyanation: a cyanide-free route to thiocyanates and cyanamides
Authors: Kim Si Yeon , Lim Hee Nam
Published: October 2024

The use of N-hydroxy-2-oxopropanimidoyl chloride as a latent cyanide transfer agent is reported.
Ultra-high Li+ transfer efficiency of in situ grown membrane for high-performance batteries
Authors: Wang Jian , Ma Kang , Zhang Yanbo , Chen Jiawei , Song Xin , Zhang Jianmin
Published: October 2024

Lewis acid effect of in situ grown nano-Al2O3 promotes lithium salt dissociation to improve Li+ transport efficiency.
Blue photoluminescence of wide-bandgap polystyrenesulfonate materials
Authors: Zhang Wenqian , Wan Lu , Yang Dehua , Guo Jianxin , Zhou Xin , Yuan Xiaoyang , Chang Xuan , Zhang Cuili , Chen Jianhui
Published: October 2024

Blue photoluminescence (PL) was observed in polystyrene sulfonic acid solution (PSS) for the first time. And the diversity and tunability of its PL properties were revealed.
A chemoselective hydroxycarbonylation and 13C-labeling of aryl diazonium salts using formic acid as the C-1 source
Authors: Mondal Shuvam , Nandi Shantanu , Das Subhodeep , Jana Ranjan
Published: October 2024

A user-friendly, cost-effective palladium-catalyzed chemoselective aryl carboxylic acid synthesis and 13C labeling from diazonium salt using formic acid as a CO surrogate without special setup at ambient temperature is described.
Structure, dynamic, and free energy analyses of 5-hydroxymethylfurfural in aprotic solvents and imidazolium ionic liquids using all-atom molecular dynamics simulations
Authors: Jha Sweta , Sappidi Praveenkumar
Published: October 2024

5-Hydroxymethylfurfural (5-HMF) is an important chemical generated from lignocellulosic biomass (LCB) to produce a wide variety of value-added chemicals, biofuels, and biochemicals.
Structural evolution and electronic properties of anionic carbon–nitrogen clusters
Authors: Gao Yuanzhi , Huang Shu , Fu Peixin , Chen Chen , Ding Kewei , Lu Cheng
Published: October 2024

Strong π and σ bonds lead to remarkable stability of the ring CN6− cluster, suggesting a potential high-energy-density material.
Strategy for predicting catalytic activity of catalysts with hierarchical nanostructures
Authors: Zhu Zidi , Huan Daoming , Yuan Jingchao , Zhang Dan , Li Aijun , Zhang Jiujun
Published: October 2024

This study constructs a multiphysics model that successfully replicates experimental results, introducing an improved Thiele modulus to enhance the prediction of catalytic activity in hierarchical nanostructured SOFC electrodes.
Theoretical exploration of siloxy carbenes: photogeneration and [2+1] photocyclization mechanisms
Authors: Li Jianhao , Jiang Xiaohan , Liang Zixi , Tang Chao , Ma Lishuang , Lin Xufeng , Liu Xinmei , Chen Xuebo
Published: October 2024

Regulatory mechanisms for the photogeneration of singlet/triplet siloxy carbenes and their involvement in [2+1] photocyclizations have been thoroughly studied at the CASPT2//CASSCF/PCM level of theory.
Modeling the ionization mechanism of amorphous solid particles without an external energy source coupled to mass spectrometry
Authors: Consta Styliani , Wingen Lisa M. , Qin Yiming , Perraud Veronique , Finlayson-Pitts Barbara J.
Published: October 2024

Mechanistic analysis of ion desorption from glutaric acid particles used in the development of surface-sensitive mass spectroscopy ionization methods.
Combining Hammett σ constants for Δ-machine learning and catalyst discovery
Authors: Rakotonirina V. Diana , Bragato Marco , Heinen Stefan , von Lilienfeld O. Anatole
Published: October 2024

We present a simple and fast linear model for discovering organometallic catalysts for the Suzuki–Miyaura cross-coupling reaction, using a combinatorial approach.
Crystal size-dependent framework flexibility of a prototypical metal organic framework is related to metal content: zeolitic imidazolate framework-7
Authors: Ekanayake Akalanka B. , Tiba Al A. , MacGillivray Leonard R. , Tivanski Alexei V.
Published: October 2024

Reducing crystal size in ZIF-7 MOFs leads to significantly increased framework flexibility with smaller crystals exhibiting more point defects and lower metal content. Such size-dependent behaviour may enable rational design of various materials.
Unveiling the synergistic effect of an nZVI–SiO2–TiO2 nanocomposite for the remediation of dye contaminated wastewater
Authors: Namakka Murtala , Rahman Md Rezaur , Mohamad Bin Said Khairul Anwar , Kuok King Kuok , Md Yusof Fahmi Asyadi , Al-Saleem Muneera S. M. , Al-Humaidi Jehan Y. , Rahman Mohammed M.
Published: October 2024

Water contamination and scarcity pose critical global challenges.
Synergistic dual-layer passivation boosts efficiency and stability in perovskite solar cells using naphthol sulfonate
Authors: Liu Hao , Jiang Ning , Wang Jintao , Chen Shuming , Zhang Jian , Duan Yu
Published: October 2024

Synergistic dual-layer passivation enhances the quality of film formation, improves interlayer contact and optimizes energy level arrangement.
Short-range conjugated nitrogen-rich porous polymers for uranium(vi) photocatalysis
Authors: Hu Jiaxin , Sun Qihang , Li Baoyu , Liao Yunwen , Zhang Juan , Chang Jinming , Gao Hejun , Fu Hongquan
Published: October 2024

A nitrogen-rich porous polymer with short-range conjugation of π-units (Py-NPP) consisting of multilayered lamellar stacks has excellent reduction efficiency and optical properties, and achieves 89% removal of U(vi) under aerobic conditions.
Atoms and photons: how chemical sciences can catalyze the development of sustainable solutions powered by light
Authors: Nanda Govind
Published: October 2024

The essay summarizes how photonics can lead to solutions for modern sustainability challenges when viewed through the prism of the chemical sciences.
Advantageous electrochemical behaviour of new core–shell structured cathodes over nickel-rich ones for lithium-ion batteries
Authors: Jayamkondan Yuvashri , Markovsky Boris , Aurbach Doron , Nayak Prasant Kumar
Published: October 2024

A core–shell structured Ni-rich NMC oxide (NR-CS) exhibits a specific capacity of 212 mA h g−1 with 89% capacity retention compared to the 67% capacity retention for LiNi0.85Mn0.10Co0.05O2 (NMC85) after 120 cycles when tested at 20 mA g−1.
Electrochemical glucose-to-formic acid conversion coupled with alkaline hydrogen production over nanostructured CuCo2O4 catalysts
Authors: Lin Xinxuan , Xue Xiongbiao , Du Jing
Published: October 2024

CuCo2O4 nanoneedles were used as an electrocatalyst for the glucose oxidation reaction (GOR) and exhibited excellent electrocatalytic performance and high faradaic efficiency of formate.
Cell-specific spatial profiling of targeted protein expression to characterize the impact of intracortical microelectrode implantation on neuronal health
Authors: Druschel Lindsey N. , Kasthuri Niveda M. , Song Sydney S. , Wang Jaime J. , Hess-Dunning Allison , Chan E. Ricky , Capadona Jeffrey R.
Published: October 2024

Multiplex immunochemistry for proteins examining neuronal structure or function in NeuN+ regions adjacent intracortical microelectrodes (MEA) more closely matched historic intracortical MEA recording performance than traditional IHC quantification.
Research Progress of Biochar Materials in Heavy Metal Pollution Treatment Application
Authors: Hua Feixiang
Published: October 2024

To study the mechanism of the role of biochar in treating heavy metal contaminated water, different heavy metal treatment processes and their action principles were studied, the preparation methods, physicochemical properties and action mechanisms of biochar in heavy metal water pollution treatment were reviewed, different preparation methods (such as pyrolysis, hydrothermal carbonization) and activation methods of biochar were compared, and the impacts of the porosity, surface area, surface charge, and functional groups on the adsorption process as well as different adsorption mechanisms for heavy metals such as Pb, Cu, Ni have been discussed. Finally, it was pointed out that current research on biochar for treating water and soil contaminated with heavy metals is inadequate, and it was proposed that future research will be devoted to the pollution and recycling reapplication of the biochar itself.
Dynamic Evolution Analysis of Spatial Differences of Carbon Emissions in Beijing-Tianjin-Hebei Region from 1997 to 2017
Authors: Zhang Yange , Shi Yumeng , Gu Yanchun , Zhang Hongyue
Published: October 2024

Carbon emission is the main cause of climate change, and Beijing-Tianjin-Hebei (BTH), is one of the main region of carbon emission in China. In order to study the carbon emission characteristics in the BTH region, this paper uses the Geostatistical method to analyze the dynamic evolution of the spatial variations of carbon emissions from 1997 to 2017. (1) The global Moran’s I analysis indicates that carbon emissions take on a spatial agglomeration effect in BTH region. The global Moran’s I show a decreasing trend from 1997 to 2012, indicating that there is gradually weakening pressure between cities. However, from 2012 to 2017, the global Moran’s I show an increasing trend, indicating that there is gradually strengthening pressure between cities. (2) The hotspot areas have remained largely unchanged except Beijing. Beijing has transitioned from a hotspot area to a non-hotspot area. (3) Standard deviational ellipse analysis showed that that the carbon emission distribution in the BTH region basically exhibits a northeastsouthwest distribution pattern and has a very small variation.