bluuebunny/crossref_metadata_2025_split huggingface dataset:
Physical formula enhanced multi-task learning for pharmacokinetics prediction
Authors: Li Yuqiang , Li Ruifeng , Zhou Dongzhan , Shen Ancheng , Zhang Ao , Su Mao , Li Mingqian , Chen Hongyang , Chen Gang , Zhang Yin , Zhang Shufei , Ouyang Wanli 
Published: April 2024

Abstract
Artificial intelligence (AI) technology has demonstrated remarkable potential in drug discovery, where pharmacokinetics plays a crucial role in determining the dosage, safety, and efficacy of new drugs. A major challenge for AI-driven drug discovery (AIDD) is the scarcity of high-quality data, which often requires extensive wet-lab work. A typical example of this is pharmacokinetic experiments. In this work, we develop a physical formula enhanced multi-task learning (PEMAL) method that predicts four key parameters of pharmacokinetics simultaneously. By incorporating physical formulas into the multi-task framework, PEMAL facilitates effective knowledge sharing and target alignment among the pharmacokinetic parameters, thereby enhancing the accuracy of prediction. Our experiments reveal that PEMAL significantly lowers the data demand, compared to typical Graph Neural Networks. Moreover, we demonstrate that PEMAL enhances the robustness to noise, an advantage that conventional Neural Networks do not possess. Another advantage of PEMAL is its high flexibility, which can be potentially applied to other multi-task machine learning scenarios. Overall, our work illustrates the benefits and potential of using PEMAL in AIDD and other scenarios with data scarcity and noise.
Calculation of Drag Coefficient and Friction Factor of Non-Submerged Rigid Vegetation in Symmetric Compound Channel, Using Direct Measurement Method
Authors: Maturi Foad , Askar Mehdi Behdarvandi 
Published: April 2024

Abstract
Given that the most basic issue in the study of drag coefficient is the correct and accurate measurement of force, so the use of a method that can directly measure the force of flow is very important because it can provide a more realistic analysis of drag coefficient. Also, the results obtained from this method are compared with the results obtained from other methods .This research has calculated the drag coefficient and friction factor using the direct measurement method and physical modeling in a hydraulic knife-edge flume, which is a particular type of flume capable of directly measuring the flow force. In this study, five vegetation diameters, 20, 25, 30, 40, and 50 mm, as well as two types of ordered and non-ordered arrangement, and three vegetation positions in floodplains, main channel and simultaneously vegetation in main channel and floodplain, considering five inline spacing, and three Cross line spacing between vegetation, which included a total of 451 different experiments, were examined. In this paper, the value is between 0.0017-0.31, and the vegetation's Reynolds number is in the range 3512-29213. The results revealed that the method and calculations implemented in the field of drag coefficient are suitably similar to the drag coefficient obtained from the force balance equation; moreover to calculate drag coefficient and friction factor in the examined scope, and were achieved based on the vegetation parameter . The coefficients of considering the experiments and different position and arrangement of vegetation were presented.
Stiffness characteristics of angular contact ball bearing considering thermal - mechanical coupling
Authors: gao chen , xu tao , chen yu li , chen tao , zhang shou jing 
Published: April 2024

Abstract
When the rotor is rotating at high speed, the ball bearing stiffness exhibits strong nonlinear characteristics. This paper primarily investigates the influence of different speeds, axial loads, and other factors on the angular contact ball bearing stiffness. To address the inconvenience of simultaneously simulating dynamic temperature fields and deformation results using ANSYS software, a novel coupling method is proposed to achieve simulation results that closely resemble actual working conditions. By utilizing a MATLAB script program based on Palmgren's friction heat generation theory, real-time extraction of frictional heat generation in high-speed angular contact ball bearings under combined shaft action, radial load, and speed is achieved. The obtained heat generation results are then applied as boundary conditions in the finite element model of bearings to establish a coupling field for further analysis. Subsequently, Ansys Workbench simulates the impact of this coupling model on relative displacement between inner and outer rings under identical load and speed conditions to ultimately obtain dynamic stiffness results for angular contact ball bearings. A novel approach to calculating stiffness was introduced in the subsequent bearing stiffness test bench, wherein the radial load and relative displacement of the measured angular contact ball bearing were determined by converting material mechanics formulas. This method effectively addresses the inconvenience of measuring bearing stiffness in rotor systems and aligns with simulation results.The findings indicate that bearing dynamic stiffness increases with axial load at constant speed, with axial stiffness being greater than radial stiffness. Additionally, higher rotational speeds under coaxial loads result in more pronounced increases in frictional heat but lead to decreased overall stiffness. The feasibility of simulation results from thermal-mechanical coupling models has been demonstrated.
ActivinA modulates B-Acute Lymphoblastic Leukaemia cell communication and survival by inducing extracellular vesicles production
Authors: Licari Eugenia , Cricrì Giulia , Mauri Mario , Raimondo Francesca , Dioni Laura , Favero Chiara , Giussani Alice , Starace Rita , Nucera Silvia , Biondi Andrea , Piazza Rocco , Bollati Valentina , Dander Erica , D'Amico Giovanna 
Published: April 2024

Abstract
Extracellular vesicles (EVs) are a new mechanism of cellular communication, by delivering their cargo into target cells to modulate molecular pathways. EV-mediated crosstalk contributes to tumor survival and resistance to cellular stress. However, the role of EVs in B-cell Acute Lymphoblastic Leukaemia (B-ALL) awaits to be thoroughly investigated. We recently published that ActivinA increases intracellular calcium levels and promotes actin polymerization in B-ALL cells. These biological processes guide cytoskeleton reorganization, which is a crucial event for EV secretion and internalization. Hence, we investigated the role of EVs in the context of B-ALL and the impact of ActivinA on this phenomenon. We demonstrated that leukemic cells release a higher number of EVs in response to ActivinA treatment, and they can actively uptake EVs released by other B-ALL cells. Under culture-induced stress conditions, EVs coculture promoted cell survival in B-ALL cells in a dose-dependent manner. Direct stimulation of B-ALL cells with ActivinA or with EVs isolated from ActivinA-stimulated cells was even more effective in preventing cell death. This effect can be possibly ascribed to the increase of vesiculation and modifications of EV-associated microRNAs induced by ActivinA. These data demonstrate that ActivinA boosts EV-mediated B-ALL crosstalk, improving leukemia survival in stress conditions.
Adenoid Cystic Carcinoma of the Breast: A Case Report
Authors: Hercules Jose 
Published: April 2024

Abstract

Adenoid cystic carcinoma is a rare form of breast cancer accounting for 0.1%-1.0% of all mammary cancer malignancies. Breast cancer is characterized by an indolent clinical course and favorable prognosis, contrary to other breast cancers. Diagnostic mammogram and breast ultrasound play a pivotal role in the early detection and diagnosis of breast adenoid cystic carcinoma. Treatment may consist of lumpectomy and radiation therapy vs mastectomy alone. Although rare, late disease recurrence and metastasis have been reported in the literature; thus, long-term surveillance is of utmost importance for these patients. We will review the literature and discuss the case of a 52-year-old female who presented with a palpable lump of the right breast, which was pathologically proven to be adenoid cystic carcinoma of the breast.
Enhanced formation of nitrogenous organic aerosols and brown carbon after aging in the planetary boundary layer
Authors: Liu Dantong , Wu Yangzhou , Liu Quan , Tian Ping , Xu Weiqi , Wang Junfeng , Hu Kang , Li Siyuan , Jiang Xiaotong , Wang Fei , Huang Mengyu , Ding Deping , Yu Chenjie , Hu Dawei 
Published: April 2024

Abstract
Particulate organic nitrates (pON) significantly contribute to the mass of organic aerosol and influence the NOX cycle in the atmosphere, but their evolution and lifetime remain uncertain. This study performed simultaneous measurements on the anthropogenically affected surface site and the mountain site on top of the polluted planetary boundary layer (PBL). After aging in the PBL, organic nitrate was converted from primary sources (decreased from 8.7 % to 4.3 %) to secondary sources (increased from 6.3 % to 36.1 %), spanning from the surface to the mountain. The evaporation of more volatile inorganic nitrate and the production of secondary organic nitrate during aging in the PBL contributed to the enhanced pON fraction over the top of PBL. The contribution of light absorption by brown carbon increased by 43 % at the top of PBL compared to the surface, consistent with the higher fraction of nitrogenous organic aerosols over the mountain. The results provide field evidence that the nitrogenous OA may be preserved by adding into secondary OA and significantly contribute to the enhanced importance of brown carbon after aging the vertical transport in the PBL.
Effective removal of Eriochrome black T by a novel ZnxCu01-xFe2O4/C3N4 composite under simulated visible light irradiation
Authors: Liu Zhixiong , Liu Jiaqi , Hu Yiting , Tian Yuhang , Li Fei , Xian Yanhong 
Published: April 2024

Abstract

A new ZnxCu1−x Fe2O4/C3N4 composite was successfully prepared through a precipitation-assisted calcining technology. The characterization of the as-synthesized catalysts was performed using various analytical techniques. When compared with pure g-C3N4, pristine ZnFe2O4 and bare CuFe2O4, the ZnxCu1−xFe2O4/g-C3N4 composite exhibits higher photo-catalytic degradation of Eriochrome black T (EBT) under a visible light irradiation. When the molar ratio of Zn/Cu (1/1) and the mass ratio of ZnxCu01−xFe2O4 (50%) in the hybrid nanocomposite, ZnxCu1−xFe2O4/g-C3N4 composite exhibits high EBT removal efficiency of 99.73% by adding sodium persulfate (SPS) in waste water within 120 min of the photocatalytic degradation experiment. Enhanced the visible light absorption ability and the suppression of photoexcited charge carriers is also achieved by forming heterojunctions between Zn0.5Cu0.5Fe2O4 and g-C3N4. The Zn0.5Cu0.5Fe2O4/g-C3N4 exhibited 2.91 times higher degradation efficiency than Zn0.5Cu0.5Fe2O4 nanoparticles and 1.96 times higher degradation efficiency than g-C3N4. The trapping experiments were performed by adding different eliminating agents and it shows that the photodegradation of EBT was mainly caused by electron hole (h+), superoxide ion(·O2−) and sulfate radical (·SO4−). Among these resctive species, electron holes (h+) are the predominant reactive species. This study provided a promising approach for the treatment of contaminated water using ZnxCu1−xFe2O4/g-C3N4 as a photocatalyst.
Study the effect of Zn2SnO4/ZnO/SnO2 on the structural, optical, and electrical properties of PVA nanocomposites for promising applications
Authors: Saadeldin M. M. , Samir Ahmed , Desouky Fawzy G. El 
Published: April 2024

Abstract

This study details the successful incorporation of zinc tin oxide nanoparticle (ZTO-NPs) into polyvinyl alcohol (PVA) using the hydrothermal method. We introduce a streamlined and integrated synthesis approach, representing a novel direction for polymeric composite films with wide-ranging applications. This was achieved by creating a nanocomposite in a PVA matrix using ZTO-NPs composite as a filler at different concentrations that can be extended to use in many applications, such as optoelectronics. The study delves into the impact of ZTO-NPs loadings on the optical, electrical, and structural properties of PVA films across different concentrations. Structural analysis of ZTO-NPs and resulting ZTO/PVA nanocomposite films is performed using X-ray diffraction (XRD), while Fourier transform infrared (FT-IR) analysis confirms the interaction between ZTO-NPs and PVA. Atomic force microscopy (AFM) is employed to analyze surface morphology and roughness, while diffuse reflectance spectroscopy (DRS) reveals enhanced UV absorption and a red-shift with increased ZTO-NPs concentration. Moreover, the optical band-gap decreases with higher ZTO-NPs concentration. Electrical properties, including dielectric constant, dielectric loss, conductivity, and electric modulus, are investigated at room temperature across different frequencies, indicating an increase in dielectric constant with ZTO-NPs concentration.
WITHDRAWN: Parental Nutrition Literacy, Dental Anxiety and Children's Oral Health-Related Quality of Life: A Close Look
Authors: GONUL Busra ASLAN , CICEK Betul 
Published: April 2024

Abstract
The full text of this preprint has been withdrawn by the authors while they make corrections to the work. Therefore, the authors do not wish this work to be cited as a reference. Questions should be directed to the corresponding author.
Fungal Argonaute proteins act in bidirectional cross-kingdom RNA interference during plant infection
Authors: Weiberg Arne , Cheng An-Po , Huang Lihong , Oberkofler Lorenz , Johnson Nathan R , Salinas Francisco , Wange Lucas , Enard Wolfgang , Glodeanu Stefan-Adrian , Stillman Kyra 
Published: April 2024

Abstract

Argonaute (AGO) proteins bind to small RNAs to induce RNA interference (RNAi), a conserved gene regulatory mechanism in animal, plant, and fungal kingdoms. Small RNAs of the fungal plant pathogen Botrytis cinerea were previously shown to translocate into plant cells and bound to the host AGO, which induced cross-kingdom RNAi to promote infection. However, the role of pathogen AGOs during host infection stayed elusive. In this study, we revealed that members of fungal plant pathogen Botrytis cinerea BcAGO family contribute to plant infection and act in bidirectional cross-kingdom RNAi, from fungus to plant and vice versa. Providing these new mechanistic insights of pathogen AGOs promise to improve RNAi-based crop protection strategies.
Numerical modeling and DFT study for a CsPbCl3 lead-based perovskite solar cell using Zn-doped Cu2O as HTL
Authors: Hachimi Mohamed Amine , Tarbi Amal , El-Mrabet Mariam , Erguig Hassane , Chtouki Tarek 
Published: April 2024

Abstract
In recent years, inorganic perovskite solar cells have attracted increasing interest in the field of photovoltaics. This study focused on the optimization of these cells using CsPbCl3 as the absorber material through extensive simulations using SCAPS-1D software. In addition, first-principles calculations were performed using density functional theory (DFT) to explore the properties of CsPbCl3, such as its structure, energy band, total and partial density of states, and their optical properties. Different ETL layers, such as C60, ZnSe, PCBM, SnO2 and WS2, and an inorganic HTL composed of zinc-doped Cu2O (7%), were evaluated. The results showed that using SnO2 as the ETL yielded the best performance. The study also examined the impact of various critical parameters, such as the thickness and defect density of the absorber layer, donor doping density in this layer, series and shunt resistances, and operating temperatures, on the overall cell performance. The optimum device configuration, FTO/SnO2/CsPbCl3/Cu2O:Zn(7%)/Au, showed a PCE of 24.23%, FF of 88.45%, VOC of 1.567 V, and JSC of 17.48 mA/cm2. The results underline the crucial importance of CsPbCl3 for optical applications, particularly in solar energy conversion, highlighting the considerable potential of this material.
Construction of a predictive model for the risk of sepsis-related liver injury in the intensive care unit: a retrospective cohort study over 10 years
Authors: Lin Hairong , Lin Jiandong , Lin Xinxin , Liao Qiuxia , Zhou Ye , Lin Bingwen , Xiao Xiongjian 
Published: April 2024

Abstract

OBJECTIVE: Sepsis-associated liver injury (SALI) seriously affects the prognosis of patients in the intensive care unit, and there is still a lack of effective predictive tools. The aim of this study was to investigate the independent risk factors of SALI and to establish and validate an effective risk prediction model.
METHODS: Patients diagnosed with sepsis by the Medical Information Marketplace for Intensive Care (MIMIC-IV v2.2) were included. The least absolute shrinkage and selection operator (LASSO) logistic regression was used to identify independent risk factors for developing SALI. Risk prediction models were constructed and column-line plots were drawn. The predictive model was validated using receiver operating characteristic (ROC) curves, Hosmer-Lemeshow (H-L) test and decision curve analysis (DCA).
RESULTS: A total of 8549 sepsis patients were included in the final cohort. There were 4834 males and 3715 females; the mean age of the patients was 66.72 ± 16.18. A total of 1067 (12.48%) patients developed SALI. All patients were randomized into a training cohort and a validation cohort in a 7:3 ratio. The training cohort was analyzed using LASSO logistic regression with the final inclusion of eight indicators used to construct the predictive model: abdominal infection (OR =4.046,95% CI:3.236-5.059, P<0.001), vasopressin (OR=2.188, 95% CI:1.778-2.694 , P<0.001), continuous renal replacement therapy (CRRT) (OR=1.928, 95%CI:1.506-2.469, P<0.001), red blood cell distribution width (RDW) (OR=1.109, 95%CI:1.069-1.151, P<0.001), platelet ( OR=0.996, 95%CI:0.996-0.996, P< 0.001), prothrombin time (PT) (OR=1.042, 95%CI:1.034-1.051, P<0.001), lactate (OR=1.154, 95%CI:1.107-1.202 ,P<0.001) and SOFA score (OR=1.119, 95%CI:1.089-1.150 ,P <0.001). The area under the ROC curve (AUC) of the predictive model was 0.830 (95% CI:0.814-0.847) in the training cohort and 0.847 (95% CI:0.825-0.869) in the validation cohort. The calibration curves were in good agreement with the ideal curves in both the training cohort and the validation cohort. Decision curve analysis (DCA) showed the ability to obtain a net benefit from this model with good clinical applicability.
CONCLUSION: Abdominal infection, vasopressin, CRRT, RDW, platelet, PT, lactate, and SOFA score are independent risk factors for patients with SALI. The SALI prediction model constructed based on the above factors has certain clinical predictive value.
Spatial-temporal characteristics and hazard analysis of compound dry and hot events in N ortheast China
Authors: Li Ying , Liang Jihao , Liu Ziying , Zhang XueLing , Zhu Meiqi 
Published: April 2024

Abstract
Extreme hot and dry weather seriously threatens the human environment and food security in North-east China (NC). Analyzing compound dry and hot events (CDHE) can provide an accurate and targeted scientific basis for high-risk areas. Meteorological data from 108 weather stations between 1961 and 2020 was used to analyze NC compound dry and hot events. Daily maximum temperature, SPI, and duration were used to build a three-dimensional Copula model that analyzed the risk of CDHE. The results showed that the overall trend increased from 1961 to 2020. The frequencies of CDHE decreased from 1961 to 1990; increased from 1991 to 2020, and peaked in 2000. CDHE occurred in 1982, 1997, 2000, 2007, and 2017. The most pronounced increasing trends were observed in climate zones IICTb-c2, IIBTb-c, IICTb-c1, and IATa. The highest frequency and intensity occurred between 1991 and 2010, with a decreasing trend from 2011 to 2020. From 1961 to 2020, 6153 CDHE occurred, with an average duration of 4.7 days, an average temperature of 32.07°C, and an average SPI of -1.27. Moderate-intensity CDHE occurred with the highest frequency, accounting for 49.71% of all the CDHE. The spatial distribution of the frequency of CDHE was biased toward the middle, showing a decreasing trend from east to west. The frequency of CDHE from 1991 to 2020 showed an increasing trend, and high-frequency events gradually shifted to the northwestern part of the study area. The high-risk areas were mainly concentrated in western and central parts in climate zones IIATc-d, IIBTd, IICTb-c2, and IIDTd-e.
Analysis of the detection results of pulmonary nodules before and after the novel coronavirus epidemic——A multicenter retrospective analysis
Authors: he zemin , keting liu , Qiang Wei , Qingwei Shen 
Published: April 2024

Abstract

Objective:To analyse the screening results of pulmonary nodules before and after the COVID-19 epidemic to understand the influence of the COVID-19 epidemic on the detection rate of pulmonary nodules and the detection rate of malignant pulmonary nodules.Methods:A total of 18,906 cases of chest CT were completed from March to November 2022 and March to November 2023. In March-December 2022 was divided into pre-epidemic group, and subjects from March-December 2023 were divided into post-epidemic group. the detection rate of pulmonary nodules, suspected lung cancer and lung cancer nodules, different age group, sex group were analyzed.Results:A total of 11513 pulmonary nodules were detected in this screening. A total of 841 suspected lung cancer nodules were detected, The detection rate of solid nodules in the post-epidemic group was significantly higher than that in the pre-epidemic group . The detection rate of fibrosis changes in the post-epidemic group was significantly higher than that in the pre-epidemic group . The detection rate of pulmonary nodules after prevalence was significantly higher in 51 to 60 years and older than 61 years than in the pre-epidemic group, and the difference was statistically significant.Conclusion:The detection rate of pulmonary nodules increased after the prevalence of COVID-19, mainly dominated by the increase of solid pulmonary nodules.The increased detection rate of pulmonary nodules is concentrated in the medical subjects aged over 51 years, and the COVID-19 epidemic does not increase the detection rate of suspected lung cancer nodules.
Importance Estimate of Features via analysis of their Weight and Gradient profile
Authors: Chan Ho Tung Jeremy , Veas Eduardo 
Published: April 2024

Abstract

Understanding what is important and redundant within data can improve the modelling process of neural networks by reducing unnecessary model complexity, training time and memory storage. This information is however not always priorly available nor trivial to obtain from neural networks. There are existing feature selection methods which utilise the internal working of a neural network for selection, however further analysis and interpretation of the input features' significance is often limiting. We propose an approach that offers an extension that estimates the significance of features by analysing the gradient descent of a pairwise layer within a model. The changes that occur with the weights and gradients throughout training provide a profile that can be used to better understand the importance hierarchy between the features for ranking and feature selection.Additionally, this method is transferable to existing fully or partially trained models, which is beneficial for understanding existing or active models.The proposed approach is demonstrated empirically with a study which uses benchmark datasets from libraries such as MNIST and scikit-feat, as well as a simulated dataset and an applied real world dataset.This is verified with the ground truth where available, and if not, via a comparison of existing statistical based and deep learning based feature selection methods through the methodology of Reduce and Retrain.