bluuebunny/crossref_metadata_2025 huggingface dataset:
Realistic Precipitation Diurnal Cycle in Global Convection‐Permitting Models by Resolving Mesoscale Convective Systems
Authors: Song Jinyan , Song Fengfei , Feng Zhe , Leung L. Ruby , Li Chao , Wu Lixin
Published: July 2024

Accurately representing the precipitation diurnal cycle has long been a challenge for global climate models (GCMs). Here we evaluate the precipitation diurnal cycle in the DYAMOND global convection‐permitting models (CPMs) and CMIP6 HighResMIP models. Comparison of the high‐ (25–50 km) and low‐resolution (100–250 km) models with parameterized convection in HighResMIP shows that simply increasing model resolution does not noticeably improve the precipitation diurnal cycle. In contrast, CPMs can better capture the observed amplitude and timing of precipitation diurnal cycle. However, the simulated spatial variation of timing in CPMs is smaller than observed, leading to an exaggeration of the spatially averaged diurnal amplitude. The better‐simulated precipitation diurnal cycle in the CPMs is tied to mesoscale convective systems (MCSs), which contribute about half of the total precipitation. The observed life cycle of MCSs, including initiation and mature stages, is well captured in the CPMs, leading to a more realistic precipitation diurnal cycle.
Intensified Currents Associated With Benthic Storms Underneath an Eddying Jet
Authors: Chen Si‐Yuan Sean , Marchal Olivier , Gardner Wilford , Andres Magdalena
Published: July 2024

Benthic storms are episodes of intensified near‐bottom currents capable of sediment resuspension in the deep ocean. They typically occur under regions of high surface eddy kinetic energy (EKE), such as the Gulf Stream. Although they have long been observed, the mechanism(s) responsible for their formation and their relationships with salient features of the deep ocean, such as bottom mixed layers (BMLs) and benthic nepheloid layers (BNLs), remain poorly understood. Here we conduct idealized experiments with a primitive‐equation model to explore the impacts of the unforced instability of a surface‐intensified jet on near‐bottom flows of a deep zonal channel. Vertical resolution is increased near the bottom to represent the bottom boundary layer. We find that the unstable near‐surface jet develops meanders and evolves into alternating, deep‐reaching cyclones and anticyclones. Simultaneously, EKE increases near the bottom due to the convergence of vertical eddy pressure fluxes, leading to near‐bottom currents comparable to those observed during benthic storms. These currents in turn form BMLs with thickness of O(100 m) from enhanced velocity shears and turbulence production near the bottom. The deep cyclonic eddies transport fluid particles both laterally and vertically, from near the bottom through the entire BML and may contribute to the formation of the lower part of BNLs. A sloping bottom reduces both the intensity of the near‐bottom currents and the extent of vertical transport. Overall, our study highlights a significant response of the abyssal environment to near‐surface current instability, with potential implications for sediment transport in the deep ocean.
Riverine Influences and Seasonal Dynamics: Exploring Carbonate System Variations and Air‐Sea CO2 Fluxes in the Southern Yellow Sea and East China Sea
Authors: Li Bing‐Han , Gong Jiang‐Chen , Liu Chun‐Ying , Hu Jing‐Wen , Yang Gui‐Peng
Published: July 2024

In this work, the seasonal variations of the carbonate system and air‐sea CO2 fluxes were investigated by two cruises in the southern Yellow Sea (SYS) and the East China Sea (ECS), which were significantly influenced by the Changjiang riverine inputs across seasons. Biological‐mediated change of dissolved inorganic carbon (DIC) was first quantitated through a three end‐member mixing model from winter to spring. Our modeling results suggested that DIC addition through biological remineralization persisted in the SYS during winter and spring, while DIC removal was evident in the Changjiang River Plume and the offshore ECS triggered by river inputs in spring. Horizontal and vertical mixing together constituted the largest contribution to the interseasonal variability of partial pressure of CO2 (pCO2) in the SYS (−69.5%), the river plume (−59.3%), and the ECS offshore (−43.8%), followed by temperature effects in the plume area (29.4%), and biological processes in the ECS offshore (24.1%) and the SYS (−7.7%), with air‐sea CO2 exchange contributing the least in both three subregions. The SYS, the river plume, and the ECS offshore all acted as atmospheric CO2 sinks in both winter and spring. Furthermore, their ability to absorb atmospheric CO2 increased from winter to spring, as reflected in a ∼1.8‐fold increase in the overall spring air‐sea CO2 flux compared to winter estimation.
The Role and Lifetime of Dissociative Heterogeneous Processes in Improving Simulated Ozone on Mars
Authors: Brown M. A. J. , Patel M. R. , Lewis S. R. , Holmes J. A. , Lefèvre F. , Mason J. P. , Crismani M.
Published: July 2024

Ozone simulated in Mars Global Climate Models (MGCMs) is used to assess the underlying chemistry occurring in the atmosphere. Currently, ozone total column abundance (TCA) is under‐predicted in MGCMs by up to 120%, implying missing or inaccurate chemistry in models. Heterogeneous reactions of hydroxyl radicals (HOX) have been offered as an explanation for some of this bias, because they cause ozone to increase at locations where it's currently under‐predicted. We use four simulations to compare modeled ozone TCA with observations from the UVIS spectrometer aboard the ExoMars Trace Gas Orbiter to improve the representation of heterogeneous processes and their impact on ozone. We use a gas‐phase only run, a dissociative scheme, an adsorbed HOX retention scheme, and a hybrid scheme that combines the dissociative mechanism with the retention of HOX on water ice. We find retention of HOX is dependent on water ice sublimation, and ozone abundance increases when water ice persists for longer periods (1–20 sols). Over time, the loss of HOX causes a depletion in H2O2 concentration (HOX reservoir), and thus allows ozone concentration to increase. When adsorbed HOX are desorbed and dissociate into other by‐products, HOX are not immediately available to destroy ozone. This results in larger ozone concentrations than if desorbed HOX are released directly back into their gaseous states. When using the hybrid scheme, ozone TCA is increased up to 50% where the ozone deficit is greatest, demonstrating the best agreement with observations, and implying that HOX radicals are both retained when adsorbed and dissociate.
Robust Reconstruction of Historical Climate Change From Permafrost Boreholes
Authors: Groenke Brian , Langer Moritz , Miesner Frederieke , Westermann Sebastian , Gallego Guillermo , Boike Julia
Published: July 2024

Reconstructing historical climate change from deep ground temperature measurements in cold regions is often complicated by the presence of permafrost. Existing methods are typically unable to account for latent heat effects due to the freezing and thawing of the active layer. In this work, we propose a novel method for reconstructing historical ground surface temperature (GST) from borehole temperature measurements that accounts for seasonal thawing and refreezing of the active layer. Our method couples a recently developed fast numerical modeling scheme for two‐phase heat transport in permafrost soils with an ensemble‐based method for approximate Bayesian inference. We evaluate our method on two synthetic test cases covering both cold and warm permafrost conditions as well as using real data from a 100 m deep borehole on Sardakh Island in northeastern Siberia. Our analysis of the Sardakh Island borehole data confirms previous findings that GST in the region have likely risen by 5–9°C between the pre‐industrial period of 1750–1855 and 2012. We also show that latent heat effects due to seasonal freeze‐thaw have a substantial impact on the resulting reconstructed surface temperatures. We find that neglecting the thermal dynamics of the active layer can result in biases of roughly −1°C in cold conditions (i.e., mean annual ground temperature below −5°C) and as much as −2.6°C in warmer conditions where substantial active layer thickening (>200 cm) has occurred. Our results highlight the importance of considering seasonal freeze‐thaw in GST reconstructions from permafrost boreholes.
Constraining Displacement Magnitude on Crustal‐Scale Extensional Faults Using Thermochronology Combined With Flexural‐Kinematic and Thermal‐Kinematic Modeling: An Example From the Teton Fault, Wyoming, USA
Authors: Helfrich Autumn L. , Thigpen J. Ryan , Buford‐Parks Victoria M. , McQuarrie Nadine , Brown Summer J. , Goldsby Ryan C.
Published: July 2024

Constraining the geometry and displacement of crustal‐scale normal faults has historically been challenging, owing to difficulties with geophysical imaging and inability to identify precise cut‐offs at depth. Using a modified workflow previously applied to contractional systems, flexural‐kinematic (Move) and thermal‐kinematic (Pecube) models are integrated with apatite (U‐Th)/He (AHe) and apatite fission track (AFT) data from Teton footwall transects to constrain total Teton fault displacement (Dmax). Models with slip onset at ∼10 Ma and flexure parameters that best match the observed Teton flexural profile require Dmax > 8 km to produce young (<10 Ma) AHe ages observed at low elevation footwall positions in the Tetons. For the same slip onset, models with Dmax of 11–13 km provide the best match to observed AHe data, but displacements ≥16 km are required to produce observed AFT ages (13.6–12.0 Ma) at low elevations. A more complex model with slow slip onset at ∼25 Ma followed by faster slip at ∼10 Ma yields a good match between modeled and observed AHe ages at a Dmax of 13–15 km. However, this model predicts low elevation AFT ages 6–8 Ma older than observed ages, even at Dmax values of 16–17 km. Based on this analysis and integration with previous studies, we propose a unified evolution wherein the Teton fault likely experienced 11–13 km of Miocene‐recent displacement, with AFT data likely indicating a pre‐to early Miocene cooling history. Importantly, this study highlights the utility of using integrated flexural‐ and thermal‐kinematic models to resolve displacement histories in extensional systems.
Ultrasound sensing with optical microcavities
Authors: Cao Xuening , Yang Hao , Wu Zu-Lei , Li Bei-Bei
Published: July 2024

Ultrasound sensors play an important role in biomedical imaging, industrial nondestructive inspection, etc. Traditional ultrasound sensors that use piezoelectric transducers face limitations in sensitivity and spatial resolution when miniaturized, with typical sizes at the millimeter to centimeter scale. To overcome these challenges, optical ultrasound sensors have emerged as a promising alternative, offering both high sensitivity and spatial resolution. In particular, ultrasound sensors utilizing high-quality factor (Q) optical microcavities have achieved unprecedented performance in terms of sensitivity and bandwidth, while also enabling mass production on silicon chips. In this review, we focus on recent advances in ultrasound sensing applications using three types of optical microcavities: Fabry-Perot cavities, π-phase-shifted Bragg gratings, and whispering gallery mode microcavities. We provide an overview of the ultrasound sensing mechanisms employed by these microcavities and discuss the key parameters for optimizing ultrasound sensors. Furthermore, we survey recent advances in ultrasound sensing using these microcavity-based approaches, highlighting their applications in diverse detection scenarios, such as photoacoustic imaging, ranging, and particle detection. The goal of this review is to provide a comprehensive understanding of the latest advances in ultrasound sensing with optical microcavities and their potential for future development in high-performance ultrasound imaging and sensing technologies.
Photocascade chemoselective controlling of ambident thio(seleno)cyanates with alkenes via catalyst modulation
Authors: Hoque Injamam Ul , Samanta Apurba , Pramanik Shyamal , Chowdhury Soumyadeep Roy , Lo Rabindranath , Maity Soumitra
Published: July 2024

Controlling the ambident reactivity of thiocyanates in reaction manifolds has been a long-standing and formidable challenge. We report herein a photoredox strategy for installing thiocyanates and isothiocyanates in a controlled chemoselective fashion by manipulating the ambident-SCN through catalyst modulation. The methodology allows redox-, and pot-economical ‘on-demand’ direct access to both hydrothiophene and pyrrolidine heterocycles from the same feedstock alkenes and bifunctional thiocyanomalonates in a photocascade sequence. Its excellent chemoselectivity profile was further expanded to access Se- and N-heterocycles by harnessing selenonitriles. Redox capability of the catalysts, which dictates the substrates to participate in a single or cascade catalytic cycle, was proposed as the key to the present chemodivergency of this process. In addition, detailed mechanistic insights are provided by a conjugation of extensive control experiments and dispersion-corrected density functional theory (DFT) calculations.
Application of machine learning models for property prediction to targeted protein degraders
Authors: Peteani Giulia , Huynh Minh Tam Davide , Gerebtzoff Grégori , Rodríguez-Pérez Raquel
Published: July 2024

Machine learning (ML) systems can model quantitative structure-property relationships (QSPR) using existing experimental data and make property predictions for new molecules. With the advent of modalities such as targeted protein degraders (TPD), the applicability of QSPR models is questioned and ML usage in TPD-centric projects remains limited. Herein, ML models are developed and evaluated for TPDs’ property predictions, including passive permeability, metabolic clearance, cytochrome P450 inhibition, plasma protein binding, and lipophilicity. Interestingly, performance on TPDs is comparable to that of other modalities. Predictions for glues and heterobifunctionals often yield lower and higher errors, respectively. For permeability, CYP3A4 inhibition, and human and rat microsomal clearance, misclassification errors into high and low risk categories are lower than 4% for glues and 15% for heterobifunctionals. For all modalities, misclassification errors range from 0.8% to 8.1%. Investigated transfer learning strategies improve predictions for heterobifunctionals. This is the first comprehensive evaluation of ML for the prediction of absorption, distribution, metabolism, and excretion (ADME) and physicochemical properties of TPD molecules, including heterobifunctional and molecular glue sub-modalities. Taken together, our investigations show that ML-based QSPR models are applicable to TPDs and support ML usage for TPDs’ design, to potentially accelerate drug discovery.
Impacts of the global food system on terrestrial biodiversity from land use and climate change
Authors: Boakes Elizabeth H. , Dalin Carole , Etard Adrienne , Newbold Tim
Published: July 2024

The global food system is a key driver of land-use and climate change which in turn drive biodiversity change. Developing sustainable food systems is therefore critical to reversing biodiversity loss. We use the multi-regional input-output model EXIOBASE to estimate the biodiversity impacts embedded within the global food system in 2011. Using models that capture regional variation in the sensitivity of biodiversity both to land use and climate change, we calculate the land-driven and greenhouse gas-driven footprints of food using two metrics of biodiversity: local species richness and rarity-weighted species richness. We show that the footprint of land area underestimates biodiversity impact in more species-rich regions and that our metric of rarity-weighted richness places a greater emphasis on biodiversity costs in Central and South America. We find that methane emissions are responsible for 70% of the overall greenhouse gas-driven biodiversity footprint and that, in several regions, emissions from a single year’s food production are associated with global biodiversity loss equivalent to 2% or more of that region’s total land-driven biodiversity loss. The measures we present are relatively simple to calculate and could be incorporated into decision-making and environmental impact assessments by governments and businesses.
Start codon variant in LAG3 is associated with decreased LAG-3 expression and increased risk of autoimmune thyroid disease
Authors: Saevarsdottir Saedis , Bjarnadottir Kristbjörg , Markusson Thorsteinn , Berglund Jonas , Olafsdottir Thorunn A. , Halldorsson Gisli H. , Rutsdottir Gudrun , Gunnarsdottir Kristbjorg , Arnthorsson Asgeir Orn , Lund Sigrun H. , Stefansdottir Lilja , Gudmundsson Julius , Johannesson Ari J. , Sturluson Arni , Oddsson Asmundur , Halldorsson Bjarni , Ludviksson Björn R. , Ferkingstad Egil , Ivarsdottir Erna V. , Sveinbjornsson Gardar , Grondal Gerdur , Masson Gisli , Eldjarn Grimur Hjorleifsson , Thorisson Gudmundur A. , Kristjansdottir Katla , Knowlton Kirk U. , Moore Kristjan H. S. , Gudjonsson Sigurjon A. , Rognvaldsson Solvi , Knight Stacey , Nadauld Lincoln D. , Holm Hilma , Magnusson Olafur T. , Sulem Patrick , Gudbjartsson Daniel F. , Rafnar Thorunn , Thorleifsson Gudmar , Melsted Pall , Norddahl Gudmundur L. , Jonsdottir Ingileif , Stefansson Kari
Published: July 2024

Autoimmune thyroid disease (AITD) is a common autoimmune disease. In a GWAS meta-analysis of 110,945 cases and 1,084,290 controls, 290 sequence variants at 225 loci are associated with AITD. Of these variants, 115 are previously unreported. Multiomics analysis yields 235 candidate genes outside the MHC-region and the findings highlight the importance of genes involved in T-cell regulation. A rare 5’-UTR variant (rs781745126-T, MAF = 0.13% in Iceland) in LAG3 has the largest effect (OR = 3.42, P = 2.2 × 10−16) and generates a novel start codon for an open reading frame upstream of the canonical protein translation initiation site. rs781745126-T reduces mRNA and surface expression of the inhibitory immune checkpoint LAG-3 co-receptor on activated lymphocyte subsets and halves LAG-3 levels in plasma among heterozygotes. All three homozygous carriers of rs781745126-T have AITD, of whom one also has two other T-cell mediated diseases, that is vitiligo and type 1 diabetes. rs781745126-T associates nominally with vitiligo (OR = 5.1, P = 6.5 × 10−3) but not with type 1 diabetes. Thus, the effect of rs781745126-T is akin to drugs that inhibit LAG-3, which unleash immune responses and can have thyroid dysfunction and vitiligo as adverse events. This illustrates how a multiomics approach can reveal potential drug targets and safety concerns.
Periodic spinodal decomposition in double–strengthened medium–entropy alloy
Authors: Park Hyojin , Haftlang Farahnaz , Heo Yoon–Uk , Seol Jae Bok , Wang Zhijun , Kim Hyoung Seop
Published: July 2024

Achieving an optimal balance between strength and ductility in advanced engineering materials has long been a challenge for researchers. In the field of material strengthening, most approaches that prevent or impede the motion of dislocations involve ductility reduction. In the present study, we propose a strengthening approach based on spinodal decomposition in which Cu and Al are introduced into a ferrous medium–entropy alloy. The matrix undergoes nanoscale periodic spinodal decomposition via a simple one-step aging procedure. Chemical fluctuations within periodic spinodal decomposed structures induce spinodal hardening, leading to a doubled strengthening effect that surpasses the conventional precipitation strengthening mechanism. Notably, the periodic spinodal decomposed structures effectively overcome strain localization issues, preserving elongation and doubling their mechanical strength. Spinodal decomposition offers high versatility because it can be implemented with minimal elemental addition, making it a promising candidate for enhancing the mechanical properties of various alloy systems.
Unlocking the function promiscuity of old yellow enzyme to catalyze asymmetric Morita-Baylis-Hillman reaction
Authors: Wang Lei , Wu Yaoyun , Hu Jun , Yin Dejing , Wei Wanqing , Wen Jian , Chen Xiulai , Gao Cong , Zhou Yiwen , Liu Jia , Hu Guipeng , Li Xiaomin , Wu Jing , Zhou Zhi , Liu Liming , Song Wei
Published: July 2024

Exploring the promiscuity of native enzymes presents a promising strategy for expanding their synthetic applications, particularly for catalyzing challenging reactions in non-native contexts. In this study, we explore the promiscuous potential of old yellow enzymes (OYEs) to facilitate the Morita-Baylis-Hillman reaction (MBH reaction), leveraging substrate similarities between MBH reaction and reduction reaction. Using mass spectrometry and spectroscopic techniques, we confirm promiscuity of GkOYE in both MBH and reduction reactions. By blocking H- and H+ transfer pathways, we engineer GkOYE.8, which loses its reduction ability but enhances its MBH activity. The structural basis of MBH reaction catalyzed by GkOYE.8 is obtained through mutation studies and kinetic simulations. Furthermore, enantiocomplementary mutants GkOYE.11 and GkOYE.13 are obtained by directed evolution, exhibiting the ability to accept various aromatic aldehydes and alkenes as substrates. This study demonstrates the potential of leveraging substrate similarities to unlock enzyme functionalities, enabling the catalysis of new-to-nature reactions.
A joint diffusion/collision model for crystal growth in pure liquid metals
Authors: Men Hua
Published: July 2024

The kinetics of atomic attachments at the liquid/solid interface is one of the foundations of solidification theory, and to date one of the long-standing questions remains: whether or not the growth is thermal activated in pure liquid metals. Using molecular dynamics simulations and machine learning, I have demonstrated that a considerable fraction of liquid atoms at the interfaces of Al(111), (110) and (100) needs thermal activation for growth to take place while the others attach to the crystal without an energy barrier. My joint diffusion/collision model is proved to be robust in predicting the general growth behaviour of pure metals. Here, I show this model is able to quantitatively describe the temperature dependence of growth kinetics and to properly interpret some important experimental observations, and it significantly advances our understanding of solidification theory and also is useful for modelling solidification, phase change materials and lithium dendrite growth in lithium-ion battery.
The mouse multi-organ proteome from infancy to adulthood
Authors: Wang Qingwen , Ding Xinwen , Xu Zhixiao , Wang Boqian , Wang Aiting , Wang Liping , Ding Yi , Song Sunfengda , Chen Youming , Zhang Shuang , Jiang Lai , Ding Xianting
Published: July 2024

The early-life organ development and maturation shape the fundamental blueprint for later-life phenotype. However, a multi-organ proteome atlas from infancy to adulthood is currently not available. Herein, we present a comprehensive proteomic analysis of ten mouse organs (brain, heart, lung, liver, kidney, spleen, stomach, intestine, muscle and skin) at three crucial developmental stages (1-, 4- and 8-weeks after birth) acquired using data-independent acquisition mass spectrometry. We detect and quantify 11,533 protein groups across the ten organs and obtain 115 age-related differentially expressed protein groups that are co-expressed in all organs from infancy to adulthood. We find that spliceosome proteins prevalently play crucial regulatory roles in the early-life development of multiple organs, and detect organ-specific expression patterns and sexual dimorphism. This multi-organ proteome atlas provides a fundamental resource for understanding the molecular mechanisms underlying early-life organ development and maturation.
Tuning electronic structure of metal-free dual-site catalyst enables exclusive singlet oxygen production and in-situ utilization
Authors: Gu Chao-Hai , Wang Song , Zhang Ai-Yong , Liu Chang , Jiang Jun , Yu Han-Qing
Published: July 2024

Developing eco-friendly catalysts for effective water purification with minimal oxidant use is imperative. Herein, we present a metal-free and nitrogen/fluorine dual-site catalyst, enhancing the selectivity and utilization of singlet oxygen (1O2) for water decontamination. Advanced theoretical simulations reveal that synergistic fluorine-nitrogen interactions modulate electron distribution and polarization, creating asymmetric surface electron configurations and electron-deficient nitrogen vacancies. These properties trigger the selective generation of 1O2 from peroxymonosulfate (PMS) and improve the utilization of neighboring reactive oxygen species, facilitated by contaminant enrichment at the fluorine-carbon Lewis-acid adsorption sites. Utilizing these insights, we synthesize the catalyst through montmorillonite (MMT)-assisted pyrolysis (NFC/M). This method leverages the role of MMT as an in-situ layer-stacked template, enabling controlled decomposition of carbon, nitrogen, and fluorine precursors and resulting in a catalyst with enhanced structural adaptability, reactive site accessibility, and mass-transfer capacity. The NFC/M demonstrates an impressive 290.5-fold increase in phenol degradation efficiency than the single-site analogs, outperforming most of metal-based catalysts. This work not only underscores the potential of precise electronic and structural manipulations in catalyst design but also advances the development of efficient and sustainable solutions for water purification.
Metabolic profiling reveals circulating biomarkers associated with incident and prevalent Parkinson’s disease
Authors: Hu Wenyi , Wang Wei , Liao Huan , Bulloch Gabriella , Zhang Xiayin , Shang Xianwen , Huang Yu , Hu Yijun , Yu Honghua , Yang Xiaohong , He Mingguang , Zhu Zhuoting
Published: July 2024

The metabolic profile predating the onset of Parkinson’s disease (PD) remains unclear. We aim to investigate the metabolites associated with incident and prevalent PD and their predictive values in the UK Biobank participants with metabolomics and genetic data at the baseline. A panel of 249 metabolites was quantified using a nuclear magnetic resonance analytical platform. PD was ascertained by self-reported history, hospital admission records and death registers. Cox proportional hazard models and logistic regression models were used to investigate the associations between metabolites and incident and prevalent PD, respectively. Area under receiver operating characteristics curves (AUC) were used to estimate the predictive values of models for future PD. Among 109,790 participants without PD at the baseline, 639 (0.58%) individuals developed PD after one year from the baseline during a median follow-up period of 12.2 years. Sixty-eight metabolites were associated with incident PD at nominal significance (P < 0.05), spanning lipids, lipid constituent of lipoprotein subclasses and ratios of lipid constituents. After multiple testing corrections (P < 9$$\times$$
×
10−4), polyunsaturated fatty acids (PUFA) and omega-6 fatty acids remained significantly associated with incident PD, and PUFA was shared by incident and prevalent PD. Additionally, 14 metabolites were exclusively associated with prevalent PD, including amino acids, fatty acids, several lipoprotein subclasses and ratios of lipids. Adding these metabolites to the conventional risk factors yielded a comparable predictive performance to the risk-factor-based model (AUC = 0.766 vs AUC = 0.768, P = 0.145). Our findings suggested metabolic profiles provided additional knowledge to understand different pathways related to PD before and after its onset.
Competition between d-wave superconductivity and magnetism in uniaxially strained Sr2RuO4
Authors: Profe Jonas B. , Beck Sophie , Kennes Dante M. , Georges Antoine , Gingras Olivier
Published: July 2024

The pairing symmetry of Sr2RuO4 is a long-standing fundamental question in the physics of superconducting materials with strong electronic correlations. We use the functional renormalization group to investigate the behavior of superconductivity under uniaxial strain in a two-dimensional realistic model of Sr2RuO4 obtained with density functional theory and incorporating the effect of spin-orbit coupling. We find a dominant $${d}_{{{{{\rm{x}}}}}^{2}-{{{{\rm{y}}}}}^{2}}$$

d

x

2

−

y

2

superconductor mostly hosted by the dxy-orbital, with no other closely competing superconducting state. Within this framework, we reproduce the experimentally observed enhancement of the critical temperature under strain and propose a simple mechanism driven by the density of states to explain our findings. We also investigate the competition between superconductivity and spin-density wave ordering as a function of interaction strength. By comparing theory and experiment, we discuss constraints on a possible degenerate partner of the $${d}_{{{{{\rm{x}}}}}^{2}-{{{{\rm{y}}}}}^{2}}$$

d

x

2

−

y

2

superconducting state.
A voice and speech corpus of patients who underwent upper airway surgery in pre- and post-operative states
Authors: Hernández-García Estefanía , Guerrero-López Alejandro , Arias-Londoño Julián D. , Godino-Llorente Juan I.
Published: July 2024

Many research articles have explored the impact of surgical interventions on voice and speech evaluations, but advances are limited by the lack of publicly accessible datasets. To address this, a comprehensive corpus of 107 Spanish Castilian speakers was recorded, including control speakers and patients who underwent upper airway surgeries such as Tonsillectomy, Functional Endoscopic Sinus Surgery, and Septoplasty. The dataset contains 3,800 audio files, averaging 35.51 ± 5.91 recordings per patient. This resource enables systematic investigation of the effects of upper respiratory tract surgery on voice and speech. Previous studies using this corpus have shown no relevant changes in key acoustic parameters for sustained vowel phonation, consistent with initial hypotheses. However, the analysis of speech recordings, particularly nasalised segments, remains open for further research. Additionally, this dataset facilitates the study of the impact of upper airway surgery on speaker recognition and identification methods, and testing of anti-spoofing methodologies for improved robustness.
Human manipulation strategy when changing object deformability and task properties
Authors: Mazzeo A. , Uliano M. , Mucci P. , Penzotti M. , Angelini L. , Cini F. , Craighero L. , Controzzi M.
Published: July 2024

Robotic literature widely addresses deformable object manipulation, but few studies analyzed human manipulation accounting for different levels of deformability and task properties. We asked participants to grasp and insert rigid and deformable objects into holes with varying tolerances and depths, and we analyzed the grasping behavior, the reaching velocity profile, and completion times. Results indicated that the more deformable the object is, the nearer the grasping point is to the extremity to be inserted. For insertions in the long hole, the selection of the grasping point is a trade-off between task accuracy and the number of re-grasps required to complete the insertion. The compliance of the deformable object facilitates the alignment between the object and the hole. The reaching velocity profile when increasing deformability recalls the one observed when task accuracy and precision decrease. Identifying human strategy allows the implementation of human-inspired high-level reasoning algorithms for robotic manipulation.
Unveiling the nonlinear dynamics of player performance in China’s super league as a function of age
Authors: Cao Jun , Zhang Wei , Zhou Changjing
Published: July 2024

To explore the dynamics in physical and technical performance of professional football players and changes across age groups. Match statistics were collected from 1900 games across ten seasons (2012–2021) in the Chinese Super League. Generalized additive models visualized age-related trends in 12 key performance indicators including technical and physical variables. Revealed nonlinear trajectories characterized by rapid early declines, stable peak periods and accelerated late decreases. Physical indicators decreased progressively from the early 20 s before stabilizing briefly then declining further after 30. Conversely, technical metrics gradually improved into the late 20 s and early 30 s prior to decreasing again. This study provides novel evidence that football performance changes nonlinearly across age. Targeted training and development strategies should be tailored to the specific needs of different career stages.
Plasma metabolites are altered before and after diagnosis of preeclampsia or fetal growth restriction
Authors: Bartho Lucy A. , McKeating Daniel R. , Walker Susan P. , Nijagal Brunda , MacDonald Teresa M. , Pritchard Natasha , Hannan Natalie J. , Perkins Anthony V. , Tong Stephen , Kaitu’u-Lino Tu’uhevaha J.
Published: July 2024

Metabolomics is the study of small molecules (metabolites), within cells, tissues and biofluids. Maternal metabolites can provide important insight into the health and development of both mother and fetus throughout pregnancy. This study assessed metabolic profiles in the maternal circulation prior to and at the time of diagnosis of preeclampsia and fetal growth restriction. Maternal plasma samples were collected from two independent cohorts: (1) Established disease cohort: 50 participants diagnosed with early-onset preeclampsia (< 34 weeks’ gestation), 14 with early-onset fetal growth restriction, and 25 gestation-matched controls. (2) Prospective cohort, collected at 36 weeks’ gestation before diagnosis: 17 participants later developed preeclampsia, 49 delivered infants with fetal growth restriction (birthweight < 5th centile), and 72 randomly selected controls. Metabolic evaluation was performed by Metabolomics Australia on the Agilent 6545 QTOF Mass Spectrometer. In the established disease cohort, 77 metabolites were altered in circulation from participants with preeclampsia – increased l-cysteine (3.73-fold), l-cystine (3.28-fold), l-acetylcarnitine (2.57-fold), and carnitine (1.53-fold) (p < 0.05). There were 53 metabolites dysregulated in participants who delivered a fetal growth restriction infant—including increased levulinic acid, citric acid (1.93-fold), and creatine (1.14-fold) (p < 0.05). In the prospective cohort, 30 metabolites were altered in participants who later developed preeclampsia at term – reduced glutaric acid (0.85-fold), porphobilinogen (0.77-fold) and amininohippuric acid (0.82-fold) (p < 0.05) was observed. There were 5 metabolites altered in participants who later delivered a fetal growth restriction infant – including reduced 3-methoxybenzenepropanoic acid (p < 0.05). Downstream pathway analysis revealed aminoacyl-tRNA biosynthesis to be most significantly altered in the established cohort in preeclampsia (13/48 hits, p < 0.001) and fetal growth restriction (7/48 hits, p < 0.001). The predictive cohort showed no significant pathway alterations. This study observed altered metabolites in maternal plasma collected before and after diagnosis of a preeclampsia or fetal growth restriction. While a significant number of metabolites were altered with established disease, few changes were observed in the predictive cohort. Thus, metabolites measured in this study may not be useful as predictors of preeclampsia or fetal growth restriction.
Speech's syllabic rhythm and articulatory features produced under different auditory feedback conditions identify Parkinsonism
Authors: Piña Méndez Ángeles , Taitz Alan , Palacios Rodríguez Oscar , Rodríguez Leyva Ildefonso , Assaneo M. Florencia
Published: July 2024

Diagnostic tests for Parkinsonism based on speech samples have shown promising results. Although abnormal auditory feedback integration during speech production and impaired rhythmic organization of speech are known in Parkinsonism, these aspects have not been incorporated into diagnostic tests. This study aimed to identify Parkinsonism using a novel speech behavioral test that involved rhythmically repeating syllables under different auditory feedback conditions. The study included 30 individuals with Parkinson's disease (PD) and 30 healthy subjects. Participants were asked to rhythmically repeat the PA-TA-KA syllable sequence, both whispering and speaking aloud under various listening conditions. The results showed that individuals with PD had difficulties in whispering and articulating under altered auditory feedback conditions, exhibited delayed speech onset, and demonstrated inconsistent rhythmic structure across trials compared to controls. These parameters were then fed into a supervised machine-learning algorithm to differentiate between the two groups. The algorithm achieved an accuracy of 85.4%, a sensitivity of 86.5%, and a specificity of 84.3%. This pilot study highlights the potential of the proposed behavioral paradigm as an objective and accessible (both in cost and time) test for identifying individuals with Parkinson's disease.
Co-designing sustainable biochar business models with sub-Saharan African communities for inclusive socio-economic transformation
Authors: Mohammed Ssemwanga , Fatumah Nakiguli , Abasi Kigozi , Olupot Max , Egesa Morris , Rubhara Theresa , Augustyniak Aleksandra , O’Connor Tracey , Tsolakis Naoum , Gaffey James , McMahon Helena , Anastasiadis Foivos
Published: July 2024

Smallholder farmers in sub-Saharan Africa (SSA) encounter multiple livelihood challenges. Embracing circular bioeconomy principles, particularly considering agricultural and food processing residues, could enable inclusive, locally led, sustainable development pathways within rural communities. Biochar products are one such example of a bio-based material that can be generated using circular principles and deployed for sustainable community development, including among smallholder farmers. This research leverages empirical evidence from four SSA regions to explore the potential of inclusive and sustainable biochar business models, namely: (i) Northern Region, Ghana, (ii) Yamoussoukro, Côte d’Ivoire, (iii) Casamance, Senegal, and (iv) Western Region, Uganda. Co-creation workshops using the Triple-Layered Business Model Canvas framework were carried out in each region with local stakeholders to evaluate the social, ecological, and economic implications of four locally relevant biochar applications: water filtration, biogas purification, soil amendment, and cooking fuel briquettes. Data was analysed at an aggregate level for all regions and applications. The study describes this consolidated biochar business model and examines the implications for SSA communities. The resulting sustainable bio-based business model can guide value chain actors and policymakers in SSA communities towards rural sustainable development with a better understanding of the needs, opportunities, challenges, and impacts of biochar-based value chain development.
Cerium doping of 45S5 bioactive glass improves redox potential and cellular bioactivity
Authors: Ryu Jeong-Hyun , Kang Tae-Yun , Choi Sung-Hwan , Kwon Jae-Sung , Hong Min-Ho
Published: July 2024

45S5 Bioglass (BG) is composed of a glass network with silicate based on the component and can be doped with various therapeutic ions for the enhancement of hard tissue therapy. Nanoceria (CeO2) has been shown to indicate redox reaction and enhance the biological response. However, few studies focus on the proportion of CeO2-doped and its effect on the cellular bioactivity of CeO2-doped BG (CBG). In this study, we synthesized the CBG series with increasing amounts of doping CeO2 ranging (1 to 12) wt.%. The synthesized CBG series examined the characterization, mineralization capacity, and cellular activity against BG. Our results showed that the CBG series exhibited a glass structure and indicated the redox states between Ce3+ and Ce4+, thus they showed the antioxidant activity by characterization of Ce. The CBG series had a stable glass network structure similar to BG, which showed the preservation of bioactivity by exhibiting mineralization on the surface. In terms of biological response, although the CBG series showed the proliferative activity of pre-osteoblastic cells similar to BG, the CBG series augmented not only the alkaline phosphatase activity but also the osteogenic marker in the mRNA level. As stimulated the osteogenic activity, the CBG series improved the biomineralization. In conclusion, the CBG series might have a potential application for hard tissue therapeutic purposes.
Elevated SLC3A2 associated with poor prognosis and enhanced malignancy in gliomas
Authors: Xu Yuheng , Weng Wanqi , Weng Yuhao , Chen Danmin , Zheng Ziwen , Fan Zexian , Peng Chengxiang , Xiong Yuanyi , Pang Xiao , Cao Guobin , Wang Yezhong , Mo Quan , Wang Zhaotao , Zhang Shizhen
Published: July 2024

The role of SLC3A2, a gene implicated in disulfidptosis, has not been characterized in gliomas. This study aims to clarify the prognostic value of SLC3A2 and its influence on glioma. We evaluated the expression of SLC3A2 and its prognostic importance in gliomas using publicly accessible databases and our clinical glioma samples and with reliance on Meta and Cox regression analysis approaches. Functional enrichment analyses were performed to explore SLC3A2's function. Immune infiltration was evaluated using CIBERSORT, ssGSEA, and single-cell sequencing data. Additionally, Tumor immune dysfunction and exclusion (TIDE) and epithelial-mesenchymal transition scores were determined. CCK8, colony formation, migration, and invasion assays were utilized in vitro, and an orthotopic glioma xenograft model was employed in vivo, to investigate the role of SLC3A2 in gliomas. Bioinformatics analyses indicated high SLC3A2 expression correlates with adverse clinicopathological features and poor patient prognosis. Upregulated SLC3A2 influenced the tumor microenvironment by altering immune cell infiltration, particularly of macrophages, and tumor migration and invasion. SLC3A2 expression positively correlated with immune therapy indicators, including immune checkpoints and TIDE. Elevated SLC3A2 was revealed as an independent risk element for poor glioma prognosis through Cox regression analyses. In vitro experiments showed that reduced SLC3A2 expression decreased cell proliferation, migration, and invasion. In vivo, knockdown of SLC3A2 led to a reduction in tumor volume and prolonged survival in tumor-bearing mice. Therefore, SLC3A2 is a prognostic biomarker and associated with immune infiltration in gliomas.
Numerical simulation on transient electromagnetic response of separation layer water in coal seam roof
Authors: Yang Haiyan , Jiao Junjun , Wang Qiang , Liu Zhixin , Su Benyu , Xu Yunlei , Li Wenyu , Ran Huageng
Published: July 2024

Mining stress induces deformation and fracture of the overlaying rock, which will result in water filling the separation layer if the aquifer finds access to abscission space along the fracture channels. Accurate detection is crucial to prevent water hazards induced by water-bearing fractures. The 3-D time-domain finite-difference method with Yee’s grid was adopted to calculate full-space transient electromagnetic response; meanwhile, a typical geologic and geophysical model with a water-bearing block in an separation layer was built according to regional tectonics and stratigraphic developments. By using numerical simulation, the induced voltage and apparent resistivity for both vertical and horizontal components were acquired, and then an approximate inversion was carried out based on the “smoke ring” theory. The results indicate that the diffusion velocity of induced voltage is significantly affected by the water-bearing body in the fracture, and the horizontal velocity of induced voltage is lower than the vertical one. The induced voltage curves indicate that the horizontal response to an anomaly body is stronger than the vertical one, leading to a high apparent resistivity resolution of conductivity contrast and separation layer boundary in the horizontal direction. The results of 3-D simulation making use of a measured data model also demonstrate that the horizontal component of apparent resistivity can reflect the electrical structure in a better way; however, its ability to recognize the concealed and fine conductor is rather weak. Accordingly, the observation method or numerical interpolation method needs to be further improved for data processing and interpretation.
Prediction of frequency response of sub-frame bushing and study of high-order fractional derivative viscoelastic model
Authors: Chen Bao , Chen Lunyang , Zhou Feng , Huang Jiang , Huang Zehao
Published: July 2024

This paper presents experimental and dynamic modeling research on the rubber bushings of the rear sub-frame. The Particle Swarm Optimization algorithm was utilized to optimize a Backpropagation (BP) neural network, which was separately trained and tested across two frequency ranges: 1–40 Hz and 41–50 Hz, using wideband frequency sweep dynamic stiffness test data. The testing errors at amplitudes of 0.2 mm, 0.3 mm, and 0.5 mm were found to be 1.03%, 3.05%, and 1.96%, respectively. Subsequently, the trained neural network was employed to predict data within the frequency range of 51–70 Hz. To incorporate the predicted data into simulation software, a dynamic model of the rubber bushing was established, encompassing elastic, friction, and viscoelastic elements. Additionally, a novel model, integrating high-order fractional derivatives, was proposed based on the frequency-dependent model for the viscoelastic element. An enhanced Particle Swarm Optimization algorithm was introduced to identify the model's parameters using the predicted data. In comparison to the frequency-dependent model, the new model exhibited lower fitting errors at various amplitudes, with reductions of 3.84%, 3.61%, and 5.49%, respectively. This research establishes a solid foundation for subsequent vehicle dynamic modeling and simulation.
Selection and characterization of human scFvs targeting the SARS-CoV-2 nucleocapsid protein isolated from antibody libraries of COVID-19 patients
Authors: Lisi Simonetta , Malerba Francesca , Quaranta Paola , Florio Rita , Vitaloni Ottavia , Monaca Elisa , Bruni Ercole Bruno , Bitonti Angela Rachel , del Perugia Olga , Mignanelli Marianna , Perrera Paola , Sabbatella Raffaele , Raimondi Francesco , Piazza Carmen Rita , Moles Anna , Alfano Caterina , Pistello Mauro , Cattaneo Antonino
Published: July 2024

In 2019, the novel SARS-CoV-2 coronavirus emerged in China, causing the pneumonia named COVID-19. At the beginning, all research efforts were focused on the spike (S) glycoprotein. However, it became evident that the nucleocapsid (N) protein is pivotal in viral replication, genome packaging and evasion of the immune system, is highly immunogenic, which makes it another compelling target for antibody development alongside the spike protein. This study focused on the construction of single chain fragments variable (scFvs) libraries from SARS-CoV-2-infected patients to establish a valuable, immortalized and extensive antibodies source. We used the Intracellular Antibody Capture Technology to select a panel of scFvs against the SARS-CoV-2 N protein. The whole panel of scFv was expressed and characterized both as intrabodies and recombinant proteins. ScFvs were then divided into 2 subgroups: those that exhibited high binding activity to N protein when expressed in yeast or in mammalian cells as intrabodies, and those purified as recombinant proteins, displaying affinity for recombinant N protein in the nanomolar range. This panel of scFvs against the N protein represents a novel platform for research and potential diagnostic applications.