bluuebunny/crossref_metadata_2025_split huggingface dataset:
Neurofilament light chain as a mediator between LRRK2 mutation and dementia in Parkinson’s disease
Authors: Yang Dehao , Xie Haobo , Wu Sheng , Ying Chenxin , Chen Yiqun , Ge Yaoying , Yao Ruotong , Li Kun , Jiang Zihan , Chen Guangyong 
Published: September 2023

AbstractElevated neurofilament light chain (NfL) levels have been associated with dementia in idiopathic Parkinson’s disease (iPD). To examine the baseline and longitudinal changes in NfL levels in GBA-PD, SNCA-PD, and LRRK2-PD and further investigate the association between these genetic mutations, NfL, and dementia in PD. We analyzed data from the Parkinson’s Progression Markers Initiative (PPMI), including 184 healthy controls (HC) and 617 PD categorized as iPD (n = 381), LRRK2-PD (n = 142), GBA-PD (n = 76) and SNCA-PD (n = 18). Analysis of covariance (ANCOVA) or linear mixed-effect models were used to compare the baseline or dynamic NfL levels between groups. We then explored the relationship between genetic mutations, serum NfL levels, and conversion to dementia using mediation analysis. After adjusting for confounding factors, SNCA-PD exhibited higher baseline serum NfL levels than iPD. Regarding longitudinal changes, SNCA-PD showed the highest increase rate in estimated NfL levels (2.43 pg/mL per year), while LRRK2-PD experienced the slowest increase rate (0.52 pg/mL per year). Mediation analysis indicated that higher estimated NfL level changes were associated with faster cognitive decline (β = 0.591, p = 0.026). Specifically, the relationship between LRRK2 and dementia was mediated by the estimated NfL level change (β = −0.717, p < 0.05). Longitudinal changes in serum NfL levels may serve as a biomarker for cognitive decline in Parkinson’s disease. Moreover, compared to iPD, the slower progression of dementia in LRRK2-PD may be partially attributed to a slower increase in NfL levels.
Review of visual analytics methods for food safety risks
Authors: Chen Yi , Wu Caixia , Zhang Qinghui , Wu Di 
Published: September 2023

AbstractWith the availability of big data for food safety, more and more advanced data analysis methods are being applied to risk analysis and prewarning (RAPW). Visual analytics, which has emerged in recent years, integrates human and machine intelligence into the data analysis process in a visually interactive manner, helping researchers gain insights into large-scale data and providing new solutions for RAPW. This review presents the developments in visual analytics for food safety RAPW in the past decade. Firstly, the data sources, data characteristics, and analysis tasks in the food safety field are summarized. Then, data analysis methods for four types of analysis tasks: association analysis, risk assessment, risk prediction, and fraud identification, are reviewed. After that, the visualization and interaction techniques are reviewed for four types of characteristic data: multidimensional, hierarchical, associative, and spatial-temporal data. Finally, opportunities and challenges in this area are proposed, such as the visual analysis of multimodal food safety data, the application of artificial intelligence techniques in the visual analysis pipeline, etc.
A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions
Authors: Spronk Steven A. , Glick Zachary L. , Metcalf Derek P. , Sherrill C. David , Cheney Daniel L. 
Published: September 2023

AbstractFast and accurate calculation of intermolecular interaction energies is desirable for understanding many chemical and biological processes, including the binding of small molecules to proteins. The Splinter [“Symmetry-adapted perturbation theory (SAPT0)protein-ligandinteraction”] dataset has been created to facilitate the development and improvement of methods for performing such calculations. Molecular fragments representing commonly found substructures in proteins and small-molecule ligands were paired into >9000 unique dimers, assembled into numerous configurations using an approach designed to adequately cover the breadth of the dimers’ potential energy surfaces while enhancing sampling in favorable regions. ~1.5 million configurations of these dimers were randomly generated, and a structurally diverse subset of these were minimized to obtain an additional ~80 thousand local and global minima. For all >1.6 million configurations, SAPT0 calculations were performed with two basis sets to complete the dataset. It is expected that Splinter will be a useful benchmark dataset for training and testing various methods for the calculation of intermolecular interaction energies.
Improved patient mortality predictions in emergency departments with deep learning data-synthesis and ensemble models
Authors: Son Byounghoon , Myung Jinwoo , Shin Younghwan , Kim Sangdo , Kim Sung Hyun , Chung Jong-Moon , Noh Jiyoung , Cho Junho , Chung Hyun Soo 
Published: September 2023

AbstractThe triage process in emergency departments (EDs) relies on the subjective assessment of medical practitioners, making it unreliable in certain aspects. There is a need for a more accurate and objective algorithm to determine the urgency of patients. This paper explores the application of advanced data-synthesis algorithms, machine learning (ML) algorithms, and ensemble models to predict patient mortality. Patients predicted to be at risk of mortality are in a highly critical condition, signifying an urgent need for immediate medical intervention. This paper aims to determine the most effective method for predicting mortality by enhancing the F1 score while maintaining high area under the receiver operating characteristic curve (AUC) score. This study used a dataset of 7325 patients who visited the Yonsei Severance Hospital’s ED, located in Seoul, South Korea. The patients were divided into two groups: patients who deceased in the ED and patients who didn’t. Various data-synthesis techniques, such as SMOTE, ADASYN, CTGAN, TVAE, CopulaGAN, and Gaussian Copula, were deployed to generate synthetic patient data. Twenty two ML models were then utilized, including tree-based algorithms like Decision tree, AdaBoost, LightGBM, CatBoost, XGBoost, NGBoost, TabNet, which are deep neural network algorithms, and statistical algorithms such as Support Vector Machine, Logistic Regression, Random Forest, k-nearest neighbors, and Gaussian Naive Bayes, as well as Ensemble Models which use the results from the ML models. Based on 21 patient information features used in the pandemic influenza triage algorithm (PITA), the models explained previously were applied to aim for the prediction of patient mortality. In evaluating ML algorithms using an imbalanced medical dataset, conventional metrics like accuracy scores or AUC can be misleading. This paper emphasizes the importance of using the F1 score as the primary performance measure, focusing on recall and specificity in detecting patient mortality. The highest-ranked model for predicting mortality utilized the Gaussian Copula data-synthesis technique and the CatBoost classifier, achieving an AUC of 0.9731 and an F1 score of 0.7059. These findings highlight the effectiveness of machine learning algorithms and data-synthesis techniques in improving the prediction performance of mortality in EDs.
36Cl, a new tool to assess soil carbon dynamics
Authors: Grapeloup Cécile , Cornu Sophie , Giraud Xavier , Pupier Julie , Team Aster , Guillou Valery , Ciffroy Philippe , Cabana Beatriz Lourino , Couegnas Cécile , Hatté Christine , Benedetti Lucilla 
Published: September 2023

AbstractSoil organic carbon is one of the largest surface pools of carbon that humans can manage in order to partially mitigate annual anthropogenic CO2 emissions. A significant element to assess soil sequestration potential is the carbon age, which is evaluated by modelling or experimentally using carbon isotopes. Results, however, are not consistent. The 14C derived approach seems to overestimate by a factor of 6–10 the average carbon age in soils estimated by modeling and 13C approaches and thus the sequestration potential. A fully independent method is needed. The cosmogenic chlorine nuclide, 36Cl, is a potential alternative. 36Cl is a naturally occurring cosmogenic radionuclide with a production that increased by three orders of magnitude during nuclear bomb tests. Part of this production is retained by soil organic matter in organochloride form and hence acts as a tracer of the fate of soil organic carbon. We here quantify the fraction and the duration of 36Cl retained in the soil and we show that retention time increases with depth from 20 to 322 years, in agreement with both modelling and 13C-derived estimates. This work demonstrates that 36Cl retention duration can be a proxy for the age of soil organic carbon.
miRNA-126a plays important role in myoblast and endothelial cell interaction
Authors: Mierzejewski Bartosz , Ciemerych Maria Anna , Streminska Wladyslawa , Janczyk-Ilach Katarzyna , Brzoska Edyta 
Published: September 2023

AbstractMuscle satellite cells (SCs) are stem cells and the main players in skeletal muscle reconstruction. Since satellite cells are located near or in direct contact with blood vessels their niche is formed, inter alia, by endothelial cells. The cross-talk between satellite cells and endothelial cells determines quiescence or proliferation of these cells. However, little is known about the role of miRNA in these interactions. In the present study we identified miRNA that were up-regulated in SC-derived myoblasts treated with stromal derived factor-1 (SDF-1) and/or down-regulated in cells in which the expression of CXCR4 or CXCR7, that is, SDF-1 receptors, was silenced. SDF-1 is one of the important regulators of cell migration, mobilization, skeletal muscle regeneration, and angiogenesis. We hypothesized that selected miRNAs affect SC-derived myoblast fate and interactions with endothelial cells. We showed that miR-126a-3p inhibited both, myoblast migration and fusion. Moreover, the levels of Cxcl12, encoding SDF-1 and Ackr3, encoding CXCR7, were reduced by miR-126a-3p mimic. Interestingly, the miR-126a-3p mimic significantly decreased the level of numerous factors involved in myogenesis and the miR-126a-5p mimic increased the level of Vefga. Importantly, the treatment of endothelial cells with medium conditioned by miR-126-5p mimic transfected SC-derived myoblasts promoted tubulogenesis.
Fatty acid challenge shifts cellular energy metabolism in a substrate-specific manner in primary bovine neonatal hepatocytes
Authors: Chandler T. L. , Kendall S. J. , White H. M. 
Published: September 2023

AbstractAdipose tissue mobilization increases circulating fatty acid (FA) concentrations, leads to increased hepatic FA uptake, and influences hepatic metabolism. Our objective was to trace carbon flux through metabolic pathways in primary bovine neonatal hepatocytes challenged with FA, and to examine the effect of FA challenge on oxidative stress. Primary bovine neonatal hepatocytes were isolated from 4 Holstein bull calves and maintained for 24 h before treatment with either 0 or 1 mM FA cocktail. After 21 h, either [1-14C]C16:0 or [2-14C]sodium pyruvate was added to measure complete and incomplete oxidation and cellular glycogen. Cellular and media triglyceride (TG), and glucose and ß-hydroxybutyrate (BHB) export were quantified, as well as reactive oxygen species and cellular glutathione (GSH/GSSH). Fatty acid treatment increased cellular, but not media TG, and although complete oxidation of [1-14C]C16:0 was not affected by FA, BHB export was increased. Reactive oxygen species were increased with FA treatment and GSSH was marginally increased such that the ratio of GSH:GSSG was marginally decreased. Glucose export increased, and cellular glycogen marginally increased with FA treatment while [2-14C]sodium pyruvate oxidation was decreased. These data suggest that FA treatment shifts cellular energy metabolism in a substrate-specific manner, spares pyruvate carbon from oxidation, and stimulates glucose synthesis.
Mine or my neighbours’ offspring: an experimental study on parental discrimination of offspring in a colonial seabird, the little auk Alle alle
Authors: Kidawa Dorota , Wojczulanis-Jakubas Katarzyna , Jakubas Dariusz , Palme Rupert , Barcikowski Mateusz 
Published: September 2023

AbstractIndividual recognition (IR) abilities may result from various ecological and naturally selected features of a species. Complex IR mechanisms should develop when the risk of misidentification of a chick is high. For colonial seabirds, the ability to identify their own brood is crucial to ensure parental fitness. Vocalizations seem to be a key component of most parent–offspring interactions, although few studies have assessed the interindividual differences in seabird chick calls and their potential usage in IR. The little auk (Allealle), which breeds in dense colonies, constitutes a perfect model for testing IR. In this study, we (1) examined chick calls at different stages of the nesting period, and (2) cross-fostered chicks to examine the rate of acceptance/nonacceptance of chicks by parents. We found significant interindividual differences in chick begging and fledging calls. Surprisingly, all cross-fostered chicks in our experiments were accepted by their foster parents, and male parents were as equally likely to accept cross-fostered chicks as females, even though the sexes would be expected to differ in offspring recognition due to different postfledging interactions with the chick. The revealed individuality of chick calls suggests the potential for chick vocal recognition in the studied species, but parent birds may disregard the individual characteristics enabling chick discrimination. This may take place as long as the chick is found in the nest because of the high likelihood that the chick present there is the focal one. However, IR during and after fledging requires further study. Studying the complexity of IR mechanisms is important for better understanding various avian social relationships and interactions.
Synthesis and cytotoxicity evaluation of novel 1,8-acridinedione derivatives bearing phthalimide moiety as potential antitumor agents
Authors: Khatab Hassan A. , Hammad Sherif F. , El‐Fakharany Esmail M. , Hashem Ahmed I. , El-Helw Eman A. E. 
Published: September 2023

AbstractIn this study, we aimed to develop hybrid antitumor compounds by synthesizing and characterizing novel N-substituted acrididine-1,8-dione derivatives, designed as hybrids of phthalimide and acridine-1,8-diones. We employed a three-step synthetic strategy and characterized all compounds using IR, 1H NMR, 13C NMR, and LC–MS. The cytotoxicity and antitumor activity of five compounds (8c, 8f, 8h, 8i, and 8L) against four cancer cell lines (H460, A431, A549, and MDA-MB-231) compared to human skin fibroblast cells were evaluated. Among the synthesized compounds, compound 8f showed promising activity against skin and lung cancers, with favorable IC50 values and selectivity index. The relative changes in mRNA expression levels of four key genes (p53, TOP2B, p38, and EGFR) in A431 cells treated with the five synthesized compounds (8c, 8f, 8h, 8i, and 8L) were also investigated. Additionally, molecular docking studies revealed that compound 8f exhibited high binding affinity with TOP2B, p38, p53, and EGFR, suggesting its potential as a targeted anticancer therapy. The results obtained indicate that N-substituted acrididine-1,8-dione derivatives have the potential to be developed as novel antitumor agents with a dual mechanism of action, and compound 8f is a promising candidate for further investigation.
Ni-rich mineral nepouite explains the exceptional green color of speleothems
Authors: Vlieghe Martin , Rochez Gaëtan , Pire-Stevenne Stéphane , Storme Jean-Yves , Dekoninck Augustin , Vanbrabant Yves , Namur Olivier , Zhang Yishen , Van Ham-Meert Alicia , Donnadieu Jean-Pierre , Berbigé Michel , Hasbroucq Jean-Luc , Yans Johan 
Published: September 2023

AbstractSpeleothems are secondary mineral structures typically found in karstic caves and usually composed of calcite or aragonite. Despite being naturally white, some might exhibit unusual colors, such as blue, black, red, yellow or green. The causes of these exceptional colorations are poorly understood, especially for green speleothems, which are barely reported. Here we describe the occurrence of the green Ni-bearing serpentine nepouite in green aragonite and calcite speleothems, in the Aven du Marcou (Hérault, France). Nepouite is mainly found as flat lamellar crystals in the outer rim of green speleothems and crystallized alongside radially grown aragonite crystals. This supports nepouite beginning to crystallize recently, due to a change in the chemical composition of the water. Nepouite also exhibits extensive substitution between Ni, Mg and Zn. The various elements responsible for nepouite precipitation are thought to come from the weathering of pyrite crystals in the overlying rocks, which is consistent with the pH conditions of the cave and the Al-free composition of nepouite. This study explains the crystallization mechanisms and stability conditions of silicate minerals in colored caves.
Increased expression of HPV-E7 oncoprotein correlates with a reduced level of pRb proteins via high viral load in cervical cancer
Authors: Mir Bilal Ahmad , Ahmad Arif , Farooq Nighat , Priya M. Vishnu , Siddiqui A. H. , Asif M. , Manzoor Rouquia , Ishqi Hassan Mubarak , Alomar Suliman Y. , Rahaman P. F. 
Published: September 2023

AbstractHuman Papillomavirus (HPV) is the most common cause of sexually transmitted diseases and causes a wide range of pathologies including cervical carcinoma. Integration of the HR-HPV DNA into the host genome plays a crucial role in cervical carcinoma. An alteration of the pRb pathways by the E7 proteins is one of the mechanisms that’s account for the transforming capacity of high-risk papillomavirus. For the proper understanding of the underline mechanism of the progression of the disease, the present study investigate the correlation of concentration of host pRb protein, viral E7 oncoprotein and viral load in early and advanced stages of cervical carcinoma. It was found that the viral load in early stages (stage I and II) was less (log10 transformed mean value 2.6 and 3.0) compared to advanced stages (stage III and IV) (Log10 transformed value 5.0 and 5.8) having high expression of HPV E7 onco-protein and reduced level of pRb protein, signifying the role of viral load and expression level of E7 oncoprotein in the progression of cervical cancer.
Utilization of biosynthesized silver nanoparticles from Agaricus bisporus extract for food safety application: synthesis, characterization, antimicrobial efficacy, and toxicological assessment
Authors: Amr Maryam , Abu-Hussien Samah H. , Ismail Radwa , Aboubakr Asmaa , Wael Rahma , Yasser Mariam , Hemdan Bahaa , El-Sayed Salwa M. , Bakry Ashraf , Ebeed Naglaa M. , Elhariry Hesham , Galal Ahmed , Abd-Elhalim Basma T. 
Published: September 2023

AbstractThe emergence of antimicrobial resistance in foodborne bacterial pathogens has raised significant concerns in the food industry. This study explores the antimicrobial potential of biosynthesized silver nanoparticles (AgNPs) derived from Agaricus bisporus (Mushroom) against foodborne bacterial pathogens. The biosynthesized AgNPs were characterized using various techniques, including UV–visible spectroscopy, X-ray diffraction, Fourier transform infrared spectroscopy, high-resolution scanning electron microscopy with energy dispersive X-ray spectroscopy, dynamic light scattering, and zeta potential analysis. The antibacterial activity of the AgNPs was tested against a panel of foodborne bacterial strains, and their cytotoxicity was evaluated on normal human skin fibroblasts. Among the tested strains, Pseudomonas aeruginosa ATCC 27853 showed the highest sensitivity with an inhibition zone diameter (IZD) of 48 mm, while Klebsiella quasipneumoniae ATTC 700603 and Bacillus cereus ATCC 11778 displayed the highest resistance with IZDs of 20 mm. The silver cations released by AgNPs demonstrated strong bactericidal effects against both Gram-positive (G + ve) and Gram-negative (G − ve) bacteria, as evidenced by the minimum inhibitory concentration/minimum bactericidal concentration (MBC/MIC) ratio. Moreover, cytotoxicity testing on normal human skin fibroblasts (HSF) indicated that AgNPs derived from the mushroom extract were safe, with a cell viability of 98.2%. Therefore, AgNPs hold promise as an alternative means to inhibit biofilm formation in the food industry sector.
Sociodemographic correlates of discrimination against PLHIV in High HIV prevalence states of India, NFHS 2016–21
Authors: Singh Shri Kant , Shri Neha 
Published: September 2023

AbstractThis study investigates the socio-demographic correlates of HIV discrimination among individuals aged 15–49 years. This study also aims to assess the change in discriminatory attitudes towards PLHIV in high HIV prevalence states from 2016 to 2021 using data from the national Demographic Health Survey (4th and 5th). To identify factors associated with discriminatory attitudes, a multivariable logistic regression analysis was performed. Further, predicted probabilities and average marginal effects were computed, and the difference in discriminatory attitudes across both rounds was examined using a non-linear Fairlie decomposition. Mass media exposure, improved wealth index, and comprehensive knowledge significantly reduced the discriminatory attitudes towards PLHIV. Fairlie decomposition indicated that comprehensive knowledge, knowledge of mother-to-child transmission, and mass media exposure was significant contributor to the differences observed in the discriminatory attitude towards PLHIV across survey rounds. This study emphasizes the importance of spreading accurate information about HIV transmission modes and reinforces existing programmes and policies aimed at reducing stigma and discrimination against PLHIV. These programmes' efficiency and effectiveness can be ensured by linking them with community-level programmes and activities organized by Self Help Groups (SHGs), which have resulted in a paradigm shift in empowering women in India.