bluuebunny/crossref_metadata_2025 huggingface dataset:
Endothelial and smooth muscle cell interaction with hydrothermally treated titanium surfaces
Authors: Manivasagam Vignesh K. , Popat Ketul C.
Published: July 2024

Cardiovascular diseases (CVDs) remain the leading cause of death worldwide, and the most common form is coronary artery disease (CAD). Treatment options include coronary artery bypass surgery (CABG) or percutaneous heart intervention (PCI), but both have drawbacks. Bare metal stents (BMS) are commonly used to treat CAD; however, they lead to restenosis. Drug-eluting stents (DES) were developed to overcome this limitation; however, they lead to late thrombosis. Hence, there is an urgent need to engineer stent surfaces that selectively prevents smooth muscle cell adhesion and proliferation (restenosis), while promoting endothelial cell adhesion and differentiation (endothelialization), thus enhancing hemocompatibility. In this study, hydrothermal treatment with either sodium hydroxide or sulfuric acid was used to modify the surface of titanium. Titanium surface treated with sulfuric acid led to a micro-nano-surface morphology that selectively promoted endothelial cell adhesion and differentiation while prevented smooth muscle cell proliferation.
From Pre‐Darcy Flow to Darcy Flow in Porous Media: A Simple Unified Model
Authors: Cheng Hui , Wang Fugang , Li Shengwei , Cheng Zhongle , Yuan Yilong , Feng Guanhong
Published: July 2024

Extensive experiments have demonstrated that fluid flow in low‐permeability media deviates from Darcy's law at low pressure gradients, which is called pre‐Darcy flow. Although numerous pre‐Darcy flow models have been proposed, these models generally contain one or more empirical parameters with no clear physical meaning. In this paper, we present a simple unified model to describe pre‐Darcy flow in porous media by introducing the concept of loss permeability. The physical meaning of the loss permeability parameter and its relationship to permeability are analyzed. Based on the statistics of the loss permeability parameter results of 24 core samples, we found that there is a good positive correlation between the loss permeability parameter and the absolute permeability. A smaller loss permeability indicates a stronger fluid‐solid interaction and a stronger nonlinearity between the flow velocity and the pressure gradient. Taking a one‐dimensional linear unsteady flow of a slightly compressible fluid in a homogeneous porous medium as an example, we solve the pressure diffusion equation based on the proposed model using a finite difference method. Our results demonstrate that the rate of pressure propagation for pre‐Darcy flow is slower than that for Darcy flow for the entire observation period, which corrects previous conclusions. This study is highly important for improving the understanding of fluid flow in low‐permeability media.
Estimating Post‐Depositional Detrital Remanent Magnetization (pDRM) Effects for Several Lacustrine and Marine Sediment Records Using a Flexible Lock‐In Function Approach
Authors: Bohsung L. , Schanner M. , Korte M. , Holschneider M.
Published: July 2024

Geomagnetic field models over past millennia rely on two main data sources: archeomagnetic data provide snapshots of the geomagnetic field at specific locations, and sediment records deliver time series of the geomagnetic field at specific locations. The limited temporal and spatial coverage of archeomagnetic data necessitates the incorporation of sediment data especially when models go further back in time. When working with sediment data one should consider the post‐depositional detrital remanent magnetization (pDRM) process, which can cause delayed and smoothed signals. To address the distortion associated with the pDRM process a Bayesian modeling technique incorporating archeomagnetic data and a class of flexible parameterized lock‐in functions has been proposed. In this study, we investigate this method in more detail and apply it to declination and inclination of several lacustrine and marine sediment records. Data‐driven results support the hypothesis that the pDRM process can introduce distortions, including offsets and smoothing, in some lacustrine and marine sediment records. We demonstrate a correction approach to minimize the distortion caused by the pDRM process and its impact on geomagnetic field reconstructions. The variability in the results observed across the nine records points to a potential dependence on sedimentological characteristics. To explore this further, we plan to systematically apply our novel method to a larger number of records in future studies.
In vivo evaluation of guide-free Cas9-induced safety risks in a pig model
Authors: Ge Weikai , Gou Shixue , Zhao Xiaozhu , Jin Qin , Zhuang Zhenpeng , Zhao Yu , Liang Yanhui , Ouyang Zhen , Liu Xiaoyi , Chen Fangbing , Shi Hui , Yan Haizhao , Wu Han , Lai Liangxue , Wang Kepin
Published: July 2024

The CRISPR/Cas9 system has shown great potential for treating human genetic diseases through gene therapy. However, there are concerns about the safety of this system, specifically related to the use of guide-free Cas9. Previous studies have shown that guide-free Cas9 can induce genomic instability in vitro. However, the in vivo safety risks associated with guide-free Cas9 have not been evaluated, which is necessary for the development of gene therapy in clinical settings. In this study, we used doxycycline-inducible Cas9-expressing pigs to evaluate the safety risks of guide-free Cas9 in vivo. Our findings demonstrated that expression of guide-free Cas9 could induce genomic damages and transcriptome changes in vivo. The severity of the genomic damages and transcriptome changes were correlate with the expression levels of Cas9 protein. Moreover, prolonged expression of Cas9 in pigs led to abnormal phenotypes, including a significant decrease in body weight, which may be attributable to genomic damage-induced nutritional absorption and metabolic dysfunction. Furthermore, we observed an increase in whole-genome and tumor driver gene mutations in pigs with long-term Cas9 expression, raising the risk of tumor occurrence. Our in vivo evaluation of guide-free Cas9 in pigs highlights the necessity of considering and monitoring the detrimental effects of Cas9 alone as genome editing via the CRISPR/Cas9 system is implemented in clinical gene therapy. This research emphasizes the importance of further study and implementation of safety measures to ensure the successful and safe application of the CRISPR/Cas9 system in clinical practice.
Associations of methylmalonic acid and depressive symptoms with mortality: a population-based study
Authors: Cao Bing , Xiao Yefei , Liu Dan
Published: July 2024

Methylmalonic acid (MMA), a biomarker of mitochondrial dysfunction, has been reported to be associated with depression in specific populations (i.e., older adults and postpartum women). Our study aimed to investigate to what extent MMA was associated with depressive symptoms and mortality in the general population, and assess whether depressive symptoms mediate the relationship between MMA and mortality. We analyzed cross-sectional data from 8343 participants from the US National Health and Nutrition Examination Survey. MMA was measured by liquid chromatography-tandem mass spectrometry, while depressive symptoms were measured by the Patient Health Questionnaire-9. Mortality data were obtained through linkage with National Death Index records. Linear regression models were performed to assess the association between MMA and depressive symptoms. The Cox proportional hazard regression model was utilized to assess the association of MMA and depressive symptoms with mortality. Mediation analysis was conducted within the counterfactual framework. In this general population, each SD (around 0.49 μmol/L) increase in MMA was associated with a 0.03 SD (approximately 0.15 score) increase in depressive symptoms (β = 0.033, 95% CI: 0.010, 0.055, p = 0.005). Notably, this association was more pronounced in men and participants over 60 years old. Higher levels of MMA and having more depressive symptoms were associated with a higher risk of mortality. However, depressive symptoms do not mediate the relationship between MMA and mortality. Elevated MMA levels were associated with depressive symptoms and an increased risk of mortality. These findings suggest that mitochondrial dysfunction may contribute to the multifactorial etiology of depression.
Genomic and immune determinants of resistance to daratumumab-based therapy in relapsed refractory multiple myeloma
Authors: Ziccheddu Bachisio , Giannotta Claudia , D’Agostino Mattia , Bertuglia Giuseppe , Saraci Elona , Oliva Stefania , Genuardi Elisa , Papadimitriou Marios , Diamond Benjamin , Corradini Paolo , Coffey David , Landgren Ola , Bolli Niccolò , Bruno Benedetto , Boccadoro Mario , Massaia Massimo , Maura Francesco , Larocca Alessandra
Published: July 2024

Targeted immunotherapy combinations, including the anti-CD38 monoclonal antibody (MoAb) daratumumab, have shown promising results in patients with relapsed/refractory multiple myeloma (RRMM), leading to a considerable increase in progression-free survival. However, a large fraction of patients inevitably relapse. To understand this, we investigated 32 relapsed MM patients treated with daratumumab, lenalidomide, and dexamethasone (Dara-Rd; NCT03848676). We conducted an integrated analysis using whole-genome sequencing (WGS) and flow cytometry in patients with RRMM. WGS before and after treatment pinpointed genomic drivers associated with early progression, including RPL5 loss, APOBEC mutagenesis, and gain of function structural variants involving MYC and chromothripsis. Flow cytometry on 202 blood samples, collected every 3 months until progression for 31 patients, revealed distinct immune changes significantly impacting clinical outcomes. Progressing patients exhibited significant depletion of CD38-positive NK cells, persistence of T-cell exhaustion, and reduced depletion of regulatory T cells over time. These findings underscore the influence of immune composition and daratumumab-induced immune changes in promoting MM resistance. Integrating genomics and flow cytometry unveiled associations between adverse genomic features and immune patterns. Overall, this study sheds light on the intricate interplay between genomic complexity and the immune microenvironment driving resistance to Dara-Rd in patients with RRMM.
One-step syntheses of diaza-dioxa-fenestranes via the sequential (3 + 2) cycloadditions of linear precursors and their structural analyses
Authors: Fuse Shinichiro , Ishikawa Hiroki , Kitamura Hiroshi , Masui Hisashi , Takahashi Takashi
Published: July 2024

Fenestranes, in which four rings share one carbon atom, have garnered much attention because of their flattened quaternary carbon centers. In addition, the rigid and nonplanar structures of heteroatom-containing fenestranes are attractive scaffolds for pharmaceutical applications. We report one-step syntheses of diaza-dioxa-fenestranes via the sequential (3 + 2) cycloadditions. Our synthesis employs readily synthesizable, nonbranched acyclic allenyl precursors that facilitate sequential cycloaddition reactions. We report the synthesis of 22 heteroatom-containing and differently substituted fenestranes with rings of varying sizes. The prepared diaza-dioxa-fenestranes are subjected to X-ray crystallography and DFT calculations, which suggest that replacing the carbon atoms at the non-bridgehead positions in the fenestrane skeleton with nitrogen and oxygen atoms results in a slight flattening of the quaternary carbon center. Moreover, one of our synthesized c,c-[5.5.5.5]fenestranes containing two isoxazoline rings possesses the flattest quaternary carbon center among previously synthesized heteroatom-containing fenestrane versions.
Cytomegalovirus vaccine vector-induced effector memory CD4 + T cells protect cynomolgus macaques from lethal aerosolized heterologous avian influenza challenge
Authors: Malouli Daniel , Tiwary Meenakshi , Gilbride Roxanne M. , Morrow David W. , Hughes Colette M. , Selseth Andrea , Penney Toni , Castanha Priscila , Wallace Megan , Yeung Yulia , Midgett Morgan , Williams Connor , Reed Jason , Yu Yun , Gao Lina , Yun Gabin , Treaster Luke , Laughlin Amanda , Lundy Jeneveve , Tisoncik-Go Jennifer , Whitmore Leanne S. , Aye Pyone P. , Schiro Faith , Dufour Jason P. , Papen Courtney R. , Taher Husam , Picker Louis J. , Früh Klaus , Gale Michael , Maness Nicholas J. , Hansen Scott G. , Barratt-Boyes Simon , Reed Douglas S. , Sacha Jonah B.
Published: July 2024

An influenza vaccine approach that overcomes the problem of viral sequence diversity and provides long-lived heterosubtypic protection is urgently needed to protect against pandemic influenza viruses. Here, to determine if lung-resident effector memory T cells induced by cytomegalovirus (CMV)-vectored vaccines expressing conserved internal influenza antigens could protect against lethal influenza challenge, we immunize Mauritian cynomolgus macaques (MCM) with cynomolgus CMV (CyCMV) vaccines expressing H1N1 1918 influenza M1, NP, and PB1 antigens (CyCMV/Flu), and challenge with heterologous, aerosolized avian H5N1 influenza. All six unvaccinated MCM died by seven days post infection with acute respiratory distress, while 54.5% (6/11) CyCMV/Flu-vaccinated MCM survived. Survival correlates with the magnitude of lung-resident influenza-specific CD4 + T cells prior to challenge. These data demonstrate that CD4 + T cells targeting conserved internal influenza proteins can protect against highly pathogenic heterologous influenza challenge and support further exploration of effector memory T cell-based vaccines for universal influenza vaccine development.
Intramolecular dynamic coupling slows surface relaxation of polymer glasses
Authors: Tian Houkuan , Luo Jintian , Tang Qiyun , Zha Hao , Priestley Rodney D. , Hu Wenbing , Zuo Biao
Published: July 2024

Over the past three decades, studies have indicated a mobile surface layer with steep gradients on glass surfaces. Among various glasses, polymers are unique because intramolecular interactions — combined with chain connectivity — can alter surface dynamics, but their fundamental role has remained elusive. By devising polymer surfaces occupied by chain loops of various penetration depths, combined with surface dissipation experiments and Monte Carlo simulations, we demonstrate that the intramolecular dynamic coupling along surface chains causes the sluggish bulk polymers to suppress the fast surface dynamics. Such effect leads to that accelerated segmental relaxation on polymer glass surfaces markedly slows when the surface polymers extend chain loops deeper into the film interior. The surface mobility suppression due to the intramolecular coupling reduces the magnitude of the reduction in glass transition temperature commonly observed in thin films, enabling new opportunities for tailoring polymer properties at interfaces and under confinement and producing glasses with enhanced thermal stability.
AI-assisted discovery of high-temperature dielectrics for energy storage
Authors: Gurnani Rishi , Shukla Stuti , Kamal Deepak , Wu Chao , Hao Jing , Kuenneth Christopher , Aklujkar Pritish , Khomane Ashish , Daniels Robert , Deshmukh Ajinkya A. , Cao Yang , Sotzing Gregory , Ramprasad Rampi
Published: July 2024

Electrostatic capacitors play a crucial role as energy storage devices in modern electrical systems. Energy density, the figure of merit for electrostatic capacitors, is primarily determined by the choice of dielectric material. Most industry-grade polymer dielectrics are flexible polyolefins or rigid aromatics, possessing high energy density or high thermal stability, but not both. Here, we employ artificial intelligence (AI), established polymer chemistry, and molecular engineering to discover a suite of dielectrics in the polynorbornene and polyimide families. Many of the discovered dielectrics exhibit high thermal stability and high energy density over a broad temperature range. One such dielectric displays an energy density of 8.3 J cc−1 at 200 °C, a value 11 × that of any commercially available polymer dielectric at this temperature. We also evaluate pathways to further enhance the polynorbornene and polyimide families, enabling these capacitors to perform well in demanding applications (e.g., aerospace) while being environmentally sustainable. These findings expand the potential applications of electrostatic capacitors within the 85–200 °C temperature range, at which there is presently no good commercial solution. More broadly, this research demonstrates the impact of AI on chemical structure generation and property prediction, highlighting the potential for materials design advancement beyond electrostatic capacitors.
Visible light-induced chemoselective 1,2-diheteroarylation of alkenes
Authors: Guo Shi-Yu , Liu Yi-Peng , Huang Jin-Song , He Li-Bowen , He Gu-Cheng , Ji Ding-Wei , Wan Boshun , Chen Qing-An
Published: July 2024

Visible-light photocatalysis has evolved as a powerful technique to enable controllable radical reactions. Exploring unique photocatalytic mode for obtaining new chemoselectivity and product diversity is of great significance. Herein, we present a photo-induced chemoselective 1,2-diheteroarylation of unactivated alkenes utilizing halopyridines and quinolines. The ring-fused azaarenes serve as not only substrate, but also potential precursors for halogen-atom abstraction for pyridyl radical generation in this photocatalysis. As a complement to metal catalysis, this photo-induced radical process with mild and redox neutral conditions assembles two different heteroaryl groups into alkenes regioselectively and contribute to broad substrates scope. The obtained products containing aza-arene units permit various further diversifications, demonstrating the synthetic utility of this protocol. We anticipate that this protocol will trigger the further advancement of photo-induced alkyl/aryl halides activation.
Thermodynamic assessment of evaporation during molten steel testing onboard the International Space Station
Authors: Nawer Jannatun , Stanford Brian , Kolbe Matthias , Schneider Stephan , Gossé Stéphane , Wunderlich Rainer K. , Mohr Markus , Borzì Aurelio , Neels Antonia , Matson Douglas M.
Published: July 2024

Evaporation control is a critical facility resource during solidification experiments that limits processing time and must be tracked to ensure facility health. A thermodynamic analysis was performed on a ternary FeCrNi sample processed onboard the International Space Station (ISS) using ESA Electromagnetic Levitation (EML) facility in a microgravity environment. A non-ideal solution-based mathematical model was applied for the overall sample mass loss prediction during this study. The overall sample mass loss prediction is consistent with the post-flight mass loss measurements. The species-specific findings from this study were validated using post-mission SEM-EDX surface evaluations by three different facilities. The bulk composition prediction was validated using SEM-EDX and wet chemical analysis. The non-ideal solution model was then applied to predict the composition of the dust generated during EML testing. The thicknesses of the deposited layer on the EML coil at various locations were also calculated using the geometry of the facility and results were validated with near-real-time dust layer predictions from toxicity tracking software developed by the German Space Center (DLR) Microgravity User Support Center (MUSC).
The brittle star genome illuminates the genetic basis of animal appendage regeneration
Authors: Parey Elise , Ortega-Martinez Olga , Delroisse Jérôme , Piovani Laura , Czarkwiani Anna , Dylus David , Arya Srishti , Dupont Samuel , Thorndyke Michael , Larsson Tomas , Johannesson Kerstin , Buckley Katherine M. , Martinez Pedro , Oliveri Paola , Marlétaz Ferdinand
Published: July 2024

Species within nearly all extant animal lineages are capable of regenerating body parts. However, it remains unclear whether the gene expression programme controlling regeneration is evolutionarily conserved. Brittle stars are a species-rich class of echinoderms with outstanding regenerative abilities, but investigations into the genetic bases of regeneration in this group have been hindered by the limited genomic resources. Here we report a chromosome-scale genome assembly for the brittle star Amphiura filiformis. We show that the brittle star genome is the most rearranged among echinoderms sequenced so far, featuring a reorganized Hox cluster reminiscent of the rearrangements observed in sea urchins. In addition, we performed an extensive profiling of gene expression during brittle star adult arm regeneration and identified sequential waves of gene expression governing wound healing, proliferation and differentiation. We conducted comparative transcriptomic analyses with other invertebrate and vertebrate models for appendage regeneration and uncovered hundreds of genes with conserved expression dynamics, particularly during the proliferative phase of regeneration. Our findings emphasize the crucial importance of echinoderms to detect long-range expression conservation between vertebrates and classical invertebrate regeneration model systems.
Separation and concentration of CO2 from air using a humidity-driven molten-carbonate membrane
Authors: Metcalfe Ian S. , Mutch Greg A. , Papaioannou Evangelos I. , Tsochataridou Sotiria , Neagu Dragos , Brett Dan J. L. , Iacoviello Francesco , Miller Thomas S. , Shearing Paul R. , Hunt Patricia A.
Published: July 2024

Separation processes are substantially more difficult when the species to be separated is highly dilute. To perform any dilute separation, thermodynamic and kinetic limitations must be overcome. Here we report a molten-carbonate membrane that can ‘pump’ CO2 from a 400 ppm input stream (representative of air) to an output stream with a higher concentration of CO2, by exploiting ambient energy in the form of a humidity difference. The substantial H2O concentration difference across the membrane drives CO2 permeation ‘uphill’ against its own concentration difference, analogous to active transport in biological membranes. The introduction of this H2O concentration difference also results in a kinetic enhancement that boosts the CO2 flux by an order of magnitude even as the CO2 input stream concentration is decreased by three orders of magnitude from 50% to 400 ppm. Computational modelling shows that this enhancement is due to the H2O-mediated formation of carriers within the molten salt that facilitate rapid CO2 transport.
Genomic Reference Resource for African Cattle: Genome Sequences and High-Density Array Variants
Authors: Tijjani Abdulfatai , Kambal Sumaya , Terefe Endashaw , Njeru Regina , Ogugo Moses , Ndambuki Gideon , Missohou Ayao , Traore Amadou , Salim Bashir , Ezeasor Chukwunonso , D’andre H. Claire , Obishakin Emmanuel T. , Diallo Boubacar , Talaki Essodina , Abdoukarim Issaka Y. , Nash Oyekanmi , Osei-Amponsah Richard , Ravaorimanana Simeone , Issa Youssouf , Zegeye Tsadkan , Mukasa Christopher , Tiambo Christian , Prendergast James G. D. , Kemp Stephen J. , Han Jianlin , Marshall Karen , Hanotte Olivier
Published: July 2024

The diversity in genome resources is fundamental to designing genomic strategies for local breed improvement and utilisation. These resources also support gene discovery and enhance our understanding of the mechanisms of resilience with applications beyond local breeds. Here, we report the genome sequences of 555 cattle (208 of which comprise new data) and high-density (HD) array genotyping of 1,082 samples (537 new samples) from indigenous African cattle populations. The new sequences have an average genome coverage of ~30X, three times higher than the average (~10X) of the over 300 sequences already in the public domain. Following variant quality checks, we identified approximately 32.3 million sequence variants and 661,943 HD autosomal variants mapped to the Bos taurus reference genome (ARS-UCD1.2). The new datasets were generated as part of the Centre for Tropical Livestock Genetics and Health (CTLGH) Genomic Reference Resource for African Cattle (GRRFAC) initiative, which aspires to facilitate the generation of this livestock resource and hopes for its utilisation for complete indigenous breed characterisation and sustainable global livestock improvement.
Numerical analysis of stresses on angular contact ball bearing under the static loading with respect to race thickness and housing stiffness
Authors: Mose Bruno R. , Shin Dong-Kil , Nam Jeong-Hwan
Published: July 2024

A 3-dimensional model of the angular contact ball bearing (ACBB) was modeled using Abaqus/standard (Dassault systems- version 2017) to investigate the influence of race thickness on the bearing performance. It was found that the ability to support higher contact stress increased with race thickness. However, large deformations were found to occur on outer race with thickness of 3.3 mm and only small deformations were observed on outer race with a thickness of 9.9 mm. The large deformations induce higher shear stresses on thin races than on thick races. These stresses cause spall growth in bearings and propagate into a network of cracks. As a result of these findings, thin races are prone to failure compared with thick races.
Chronic liver disease is an important risk factor for worse outcomes in acute pancreatitis: a systematic review and meta-analysis
Authors: Hoferica Jakub , Borbély Ruben Zsolt , Aghdam Ali Nedjati , Szalai Eszter Ágnes , Zolcsák Ádám , Veres Dániel Sándor , Hagymási Krisztina , Erőss Bálint , Hegyi Péter , Bánovčin Peter , Hegyi Péter Jenő
Published: July 2024

Chronic liver diseases (CLD) affect 1.5 billion patients worldwide, with dramatically increasing incidence in recent decades. It has been hypothesized that the chronic hyperinflammation associated with CLD may increase the risk of a more severe course of acute pancreatitis (AP). This study aims to investigate the underlying impact of CLD on the outcomes of AP. A systematic search was conducted in Embase, Medline, and Central databases until October 2022. Studies investigating patients with acute pancreatitis and CLD, were included in the meta-analysis. A total of 14,963 articles were screened, of which 36 were eligible to be included. CLD was a risk factor for increased mortality with an odds ratio (OR) of 2.53 (CI 1.30 to 4.93, p = 0.01). Furthermore, renal, cardiac, and respiratory failures were more common in the CLD group, with ORs of 1.92 (CI 1.3 to 2.83, p = 0.01), 2.11 (CI 0.93 to 4.77, p = 0.062) and 1.99 (CI 1.08 to 3.65, p = 0.033), respectively. Moreover, the likelihood of developing Systemic Inflammatory Response Syndrome (SIRS) was significantly higher, with an OR of 1.95 (CI 1.03 to 3.68, p = 0.042). CLD is an important risk factor for worse outcomes in AP pancreatitis, leading to higher mortality and increased rates of local and systemic complications.
Robust AUC optimization under the supervision of clean data
Authors: Zhang Chenkang , Tian Haobing , Zhang Lang , Jiao Pengju
Published: July 2024

AUC (area under the ROC curve) is an essential metric that has been extensively researched in the field of machine learning. Traditional AUC optimization methods need a large-scale clean dataset, while real-world datasets usually contain massive noisy samples. To reduce the impact of noisy samples, many robust AUC optimization methods have been proposed. However, these methods only use noisy data and ignore the effect of clean data. To make full use of clean data and noisy data, in this paper, we propose a new framework for AUC optimization which uses clean samples to guide the processing of the noisy dataset based on the technology of self-paced learning (SPL). Innovatively, we introduce the consistency regularization term to reduce the negative impact of the data enhancement technology on SPL. Traditional SPL methods usually suffer from the high complexity of alternately solving the two critical sub-problems with respect to sample weights and model parameters. To speed up the training process, we propose a new efficient algorithm to solve our problem, which alternately updates sample weights and model parameters with the stochastic gradient method. Theoretically, we prove that our new optimization method can converge to a stationary point. Comprehensive experiments demonstrate that our robust AUC optimization (RAUCO) algorithm holds better robustness than existing algorithms.
Novel Janus gamma-Pb$$_2$$XY monolayers with high thermoelectric performance X=S, Se and Y=Se, Te X$$\ne $$Y
Authors: Mamani Flores Efracio , Ramirez Rivera Victor José , Mamani Gonzalo Fredy , Ordonez-Miranda Jose , Sambrano Julio R. , Lucio Moreira Mario , Piotrowski Maurício Jeomar
Published: July 2024

The quest for efficient thermoelectric materials has intensified with the advent of novel Janus monolayers exhibiting exceptional thermoelectric parameters. In this work, we comprehensively investigate the structural, electronic, transport, phonon, and thermoelectric properties of novel Janus $$\gamma $$
γ
-Pb$$_2$$

2

XY (X=S, Se; Y=Se, Te; X$$\ne $$
≠
Y) monolayers using density functional theory combined with the Boltzmann transport equation. Our findings unveil the energetic, dynamic, thermal, and mechanical stability of these monolayers, along with their remarkable thermoelectric performance. Remarkably, the p-type $$\gamma $$
γ
-Pb$$_2$$

2

SeTe monolayer exhibits an outstanding figure of merit (ZT) of 6.88 at 800 K, attributed to its intrinsically low lattice thermal conductivity of 0.162 Wm$$^{-1}$$

-
1

K$$^{-1}$$

-
1

arising from strong phonon scattering, low group velocity, low phonon relaxation time, and a high Grüneisen parameter. Furthermore, these monolayers demonstrate high Seebeck coefficients and electrical conductivities, making them promising for efficient charge transport and thermoelectric energy conversion. Our results highlight the immense potential of Janus $$\gamma $$
γ
-Pb$$_2$$

2

XY monolayers as promising candidates for high-temperature thermoelectric applications and open up exciting avenues for further exploration of these novel two-dimensional materials in energy-related technologies.
Immunological assay using a solid-state pore with a low limit of detection
Authors: Takei Hiroyasu , Nakada Tomoko , Leong lat Wai , Ito Atsuki , Hanada Kakeru , Maeda Hinako , Sohail Muhammad Shan , Tomiyasu Kazuhiko , Sakamoto Osamu , Naono Norihiko , Taniguchi Masateru
Published: July 2024

Emerging infectious diseases, cancer, and other diseases are quickly tested mainly via immune reactions based on specific molecular recognition between antigens and antibodies. By changing the diameter of solid-state pores, biomolecules of various sizes can be rapidly detected at the single-molecule level. The combination of immunoreactions and solid-state pores paves the way for an efficient testing method with high specificity and sensitivity. The challenge in developing this method is achieving quantitative analysis using solid-state pores. Here, we demonstrate a method with a low limit of detection for testing tumor markers using a combination of immunoreactions and solid-state pore technology. Quantitative analysis of the mixing ratio of two and three beads with different diameters was achieved with an error rate of up to 4.7%. The hybrid solid-state pore and immunoreaction methods with prostate-specific antigen (PSA) and anti-PSA antibody-modified beads achieved a detection limit of 24.9 fM PSA in 30 min. The hybrid solid-state pore and immunoreaction enabled the rapid development of easy-to-use tests with lower limit of detection and greater throughput than commercially available immunoassay for point-of-care testing.
Level set methods for gradient-free optimization of metasurface arrays
Authors: Saad-Falcon Alex , Howard Christopher , Romberg Justin , Allen Kenneth
Published: July 2024

Global optimization techniques are increasingly preferred over human-driven methods in the design of electromagnetic structures such as metasurfaces, and careful construction and parameterization of the physical structure is critical in ensuring computational efficiency and convergence of the optimization algorithm to a globally optimal solution. While many design variables in physical systems take discrete values, optimization algorithms often benefit from a continuous design space. This work demonstrates the use of level set functions as a continuous basis for designing material distributions for metasurface arrays and introduces an improved parameterization which is termed the periodic level set function. We explore the use of alternate norms in the definition of the level set function and define a new pseudo-inverse technique for upsampling basis coefficients with these norms. The level set method is compared to the fragmented parameterization and shows improved electromagnetic responses for two dissimilar cost functions: a narrowband objective and a broadband objective. Finally, we manufacture an optimized level set metasurface and measure its scattering parameters to demonstrate real-world performance.
Dynamic response mechanism of the hole subjected to the 3D point source disturbance in an isotropic formation
Authors: Hongwei Wang , Wei Du
Published: July 2024

Accurate estimation of the effects of dynamic disturbances on stress concentration is crucial for the stability of rock engineering and the corresponding analytical approaches are needed. This study presents an analytical approach to calculate the relative stress distribution with a point source inside and outside a hole using the linear theory of elasticity. The Helmholtz potentials and Sommerfeld integral are employed to describe the displacement and stress components, and then formulate the equilibrium equations to solve the equivalent stress distribution around the hole. Numerical examples demonstrate the impact of model parameters on the equivalent stress, such as frequency, hole radius, source location, etc. It is found that sometimes high frequencies can make the equivalent stress greater far from the source than that close to the source. Additionally, when the ratio of the distance between the source and the hole axis to the hole radius exceeds ten, the equivalent stress distribution around the hole remains nearly constant. This approach can be used for the design and assessment of underground engineering structures' stability under dynamic disturbances.
Formulation, preparation of niosome loaded zinc oxide nanoparticles and biological activities
Authors: Rezaei Hossein , Iranbakhsh Alireza , Sepahi Abbas Akhavan , Mirzaie Amir , Larijani Kambiz
Published: July 2024

In this study, zinc oxide nanoparticles (Zn-NPs) were prepared by the green synthesis method and loaded inside niosomes as a drug release system and their physicochemical and biological properties were determined. Zn-NPs were prepared by the eco-friendly green strategy, the structure, and morphological properties were studied and loaded into niosomes. Subsequently, different formulations of niosomes containing Zn-NPs were prepared and the optimal formulation was used for biological studies. Scanning electron microscope (SEM) and dynamic light scattering (DLS) were used to investigate the morphology and size of nanoparticles. Fourier transform infrared spectroscopy (FTIR) and UV–Vis were used to confirm the synthesis of Zn-NPs. Energy dispersive X-ray spectrometer (EDS) determined the elemental analysis of the Zn-NPs synthesis solution and the crystalline structure of Zn-NPs was analysed by XRD (X-Ray diffraction). Furthermore, Zn-NPs were loaded inside the niosomes, and their structural characteristics, entrapment efficiency (EE%), the release profile of Zn-NPs, and their stability also were assessed. Moreover, its antimicrobial properties against some microbial pathogens, its effect on the expression of biofilm genes, and its anticancer activity on the breast cancer cell lines were also determined. To study the cytocompatibility, exposure of niosomes against normal HEK-293 cells was carried out. In addition, the impact of niosomes on the expression of genes involved in the apoptosis (Bcl2, Casp3, Casp9, Bax) at the mRNA level was measured. Our findings revealed that the Zn-NPs have a round shape and an average size of 27.60 nm. Meanwhile, UV–Vis, FTIR, and XRD results confirmed the synthesis of Zn-NPs. Also, the EE% and the size of the optimized niosomal formulation were 31.26% and 256.6 ± 12 nm, respectively. The release profile showed that within 24 h, 26% of Zn-NPs were released from niosomes, while in the same period, 99% of free Zn-NPs were released, which indicates the slow release of Zn-NPs from niosomes. Antimicrobial effects exhibited that niosomes containing Zn-NPs had more significant antimicrobial and anti-biofilm effects than Zn-NPs alone, the antimicrobial and anti-biofilm effects increased 2 to 4 times. Cytotoxic effects indicated that when Zn-NPs are loaded into niosomes, the anticancer activity increases compared to Zn-NPs alone and has low cytotoxicity on cancer cells. Niosomes containing ZnNPs increased the apoptosis-related gene expression level and reduced the Bcl2 genes. In general, the results show that niosomes can increase the biological effects of free Zn-NPs and therefore can be a suitable carrier for targeted delivery of Zn-NPs.
Enhancing global maritime traffic network forecasting with gravity-inspired deep learning models
Authors: Song Ruixin , Spadon Gabriel , Pelot Ronald , Matwin Stan , Soares Amilcar
Published: July 2024

Aquatic non-indigenous species (NIS) pose significant threats to biodiversity, disrupting ecosystems and inflicting substantial economic damages across agriculture, forestry, and fisheries. Due to the fast growth of global trade and transportation networks, NIS has been introduced and spread unintentionally in new environments. This study develops a new physics-informed model to forecast maritime shipping traffic between port regions worldwide. The predicted information provided by these models, in turn, is used as input for risk assessment of NIS spread through transportation networks to evaluate the capability of our solution. Inspired by the gravity model for international trades, our model considers various factors that influence the likelihood and impact of vessel activities, such as shipping flux density, distance between ports, trade flow, and centrality measures of transportation hubs. Accordingly, this paper introduces transformers to gravity models to rebuild the short- and long-term dependencies that make the risk analysis feasible. Thus, we introduce a physics-inspired framework that achieves an 89% binary accuracy for existing and non-existing trajectories and an 84.8% accuracy for the number of vessels flowing between key port areas, representing more than 10% improvement over the traditional deep-gravity model. Along these lines, this research contributes to a better understanding of NIS risk assessment. It allows policymakers, conservationists, and stakeholders to prioritize management actions by identifying high-risk invasion pathways. Besides, our model is versatile and can include new data sources, making it suitable for assessing international vessel traffic flow in a changing global landscape.
Histological evaluation of cardiac remodelling in equine athletes
Authors: Nath L. C. , Saljic A. , Buhl R. , Elliott A. , La Gerche A. , Ye C. , Schmidt Royal H. , Lundgren Virklund K. , Agbaedeng T. A. , Stent A. , Franklin S.
Published: July 2024

Approximately 1–2 per 100,000 young athletes die from sudden cardiac death (SCD) and extreme exercise may be associated with myocardial scar and arrhythmias. Racehorses have a high prevalence of atrial fibrillation (AF) and SCD but the presence of myocardial scar and inflammation has not been evaluated. Cardiac tissues from the left (LAA) and right (RAA) atrial appendages, left ventricular anterior (LVAPM) and posterior (LVPPM) papillary muscles, and right side of the interventricular septum (IVS-R) were harvested from racehorses with sudden cardiac death (SCD, n = 16) or other fatal injuries (OFI, n = 17), constituting the athletic group (ATH, n = 33), and compared to sedentary horses (SED, n = 10). Horses in the ATH group had myocyte hypertrophy at all sites; increased fibrosis at all sites other than the LAA; increased fibroblast infiltration but a reduction in the overall extracellular matrix (ECM) volume in the RAA, LVAPM, and IVS-R compared to SED horses. In this horse model, athletic conditioning was associated with myocyte hypertrophy and a reduction in ECM. There was an excess of fibrocyte infiltration and focal fibrosis that was not present in non-athletic horses, raising the possibility of an exercise-induced pro-fibrotic substrate.
Large language models outperform mental and medical health care professionals in identifying obsessive-compulsive disorder
Authors: Kim Jiyeong , Leonte Kimberly G. , Chen Michael L. , Torous John B. , Linos Eleni , Pinto Anthony , Rodriguez Carolyn I.
Published: July 2024

Despite the promising capacity of large language model (LLM)-powered chatbots to diagnose diseases, they have not been tested for obsessive-compulsive disorder (OCD). We assessed the diagnostic accuracy of LLMs in OCD using vignettes and found that LLMs outperformed medical and mental health professionals. This highlights the potential benefit of LLMs in assisting in the timely and accurate diagnosis of OCD, which usually entails a long delay in diagnosis and treatment.
Bacterial envelope polysaccharide cues settlement and metamorphosis in the biofouling tubeworm Hydroides elegans
Authors: Freckelton Marnie L. , Nedved Brian T. , Hadfield Michael G.
Published: July 2024

Metamorphosis for many marine invertebrates is triggered by external cues, commonly produced by bacteria. For larvae of Hydroides elegans, lipopolysaccharide (LPS) from the biofilm-dwelling bacterium Cellulophaga lytica induces metamorphosis. To determine whether bacterial LPS is a common metamorphosis-inducing factor for this species, we compare larval responses to LPS from 3 additional inductive Gram-negative marine biofilm bacteria with commercially available LPS from 3 bacteria not known to induce metamorphosis. LPS from all the inductive bacteria trigger metamorphosis, while LPS from non-inductive isolated marine bacteria do not. We then ask, which part of the LPS is the inductive element, the lipid (Lipid-A) or the polysaccharide (O-antigen), and find it is the latter for all four inductive bacteria. Finally, we examine the LPS subunits from two strains of the same bacterial species, one inductive and the other not, and find the LPS and O-antigen to be inductive from only the inductive bacterial strain.
Unlocking the secrets of ideal fast ion conductors for all-solid-state batteries
Authors: Sau Kartik , Takagi Shigeyuki , Ikeshoji Tamio , Kisu Kazuaki , Sato Ryuhei , dos Santos Egon Campos , Li Hao , Mohtadi Rana , Orimo Shin-ichi
Published: July 2024

All-solid-state batteries (ASSBs) are promising alternatives to conventional lithium-ion batteries. ASSBs consist of solid-fast-ion-conducting electrolytes and electrodes that offer improved energy density, battery safety, specific power, and fast-charging capability. Despite decades of intensive research, only a few have high ionic conductivity at ambient temperature. Developing fast ion-conducting materials requires both synthesis of high-conducting materials and a fundamental understanding of ion transport mechanisms. However, this is challenging due to wide variations of the ionic conductivity, even within the same class of materials, indicating the strong influence of structural modifications on ion transport. This Review discusses three selected material classes, namely layered oxides, polyhedral connections, and cluster anion types, as promising fast ion conductors. Emphasis is placed on the inherent challenges and the role of the framework structure on mobile ion conduction. We elucidate strategies to address these challenges by leveraging theoretical frameworks and insights from materials science.
Mediterranean diet and associations with the gut microbiota and pediatric-onset multiple sclerosis using trivariate analysis
Authors: Mirza Ali I. , Zhu Feng , Knox Natalie , Black Lucinda J. , Daly Alison , Bonner Christine , Van Domselaar Gary , Bernstein Charles N. , Marrie Ruth Ann , Hart Janace , Yeh E. Ann , Bar-Or Amit , O’Mahony Julia , Zhao Yinshan , Hsiao William , Banwell Brenda , Waubant Emmanuelle , Tremlett Helen
Published: July 2024

Background

The interplay between diet and the gut microbiota in multiple sclerosis (MS) is poorly understood. We aimed to assess the interrelationship between diet, the gut microbiota, and MS.

Methods

We conducted a case-control study including 95 participants (44 pediatric-onset MS cases, 51 unaffected controls) enrolled from the Canadian Pediatric Demyelinating Disease Network study. All had completed a food frequency questionnaire ≤21-years of age, and 59 also provided a stool sample.

Results

Here we show that a 1-point increase in a Mediterranean diet score is associated with 37% reduced MS odds (95%CI: 10%–53%). Higher fiber and iron intakes are also associated with reduced MS odds. Diet, not MS, explains inter-individual gut microbiota variation. Several gut microbes abundances are associated with both the Mediterranean diet score and having MS, and these microbes are potential mediators of the protective associations of a healthier diet.

Conclusions

Our findings suggest that the potential interaction between diet and the gut microbiota is relevant in MS.
Regulating the electron spin orbital by sulfur doping of Ti vacancies to manipulate spin flip for enhancing PEC water splitting performance
Authors: Gao Yixuan , Zhang Min , Zhao Qi , Liu Wen , Zheng Lirong , Ouyang Jin , Na Na
Published: July 2024

The electron spin orbital was regulated by sulfur doping of Ti vacancies, which efficiently manipulated spin flip for enhancing PEC water splitting performance.
Efficient siRNA delivery to murine melanoma cells via a novel genipin-based nano-polymer
Authors: Della Pelle Giulia , Bozic Tim , Vukomanović Marija , Sersa Gregor , Markelc Bostjan , Kostevšek Nina
Published: July 2024

A novel genipin and spermine based nanosized polymer exhibits excellent siRNA transfection ability and self-fluorescence properties. Size and surface charge can be tuned by glycine addition. The cytotoxicity was found to be remarkably low.
Scalable DNA recognition circuits based on DNA strand displacement
Authors: Wang Fang , Shi Beiyu , Chen Ying , Shi Xiaolong , Kou Zheng , Qiang Xiaoli
Published: July 2024

A scalable recognition circuit was designed and implemented using DNA and eventually a molecular comparator was constructed.
Unraveling the composition of each atomic layer in the MXene/MAX phase structure – identification of oxycarbide, oxynitride, and oxycarbonitride subfamilies of MXenes
Authors: Michałowski Paweł Piotr
Published: July 2024

SIMS profiling with atomic depth resolution enables qualitative characterization of MAX phase/MXene samples. With the deconvolution and calibration protocol, it is possible to quantify the composition of each atomic layer with 1% accuracy.
Solvent-free, deep eutectic system-assisted synthesis of nanoarchitectonics of hierarchical porous carbons for high rate supercapacitors
Authors: Wang Jiaxin , Feng Ying , Tian Binbin , Cheng Ye , Ou Encai , Li Huan , Rong Junfeng
Published: July 2024

Solvent-free, deep eutectic system-assisted synthesis of hierarchical porous carbons for high rate and high energy density supercapacitors.
Two pyrene-based cagearene constitutional isomers: synthesis, separation, and host–guest chemistry
Authors: Li Yating , Li Shang , Wang Mengbin , Shao Li , Fang Shuai , Hua Bin , Huang Feihe
Published: July 2024

Herein we successfully synthesize two pyrene-based cagearene constitutional isomers and separate them to investigate their host–guest properties.
Fluorescent probe for imaging intercellular tension: molecular force approach
Authors: Wang Xiao-Hong , Wang Ming , Pan Jian-bin , Zhu Jin-miao , Cheng Hu , Dong Hua-ze , Bi Wen-jie , Yang Shi-wei , chen Yuan-yuan , Xu Fan , Duan Xiao-jing
Published: July 2024

A method and principle for imaging intercellular forces.