bluuebunny/crossref_metadata_2025_split huggingface dataset:
Transient Pulsed Discharge Preparation of Graphene Aerogel Supported Asymmetric Cu Cluster Catalysts Promote CO2 Reduction to Ethanol
Authors: Chen Wenxing , Liu Kaiyuan , Shen Hao , Sun Zhiyi , Zhou Qiang , Liu Guoqiang , Sun Zhongti , Gao Xin , Chen Pengwan 
Published: March 2024

Abstract

Precisely designing asymmetrical structure is an efficient strategy to optimize the performance of metallic catalysts for electrochemical carbon dioxide reduction reactions. Herein, a transient high-density current induced by pulsed discharge is used to rapidly construct graphene aerogel (GAs) supported asymmetric Cu cluster catalysts. Cu atoms decomposed by CuCl2 are converged on graphene surfaces in GAs together with oxygen originating from the intense current and instantaneous high temperature. The atomic and electronic structures of Cu nanoclusters exhibit asymmetric distribution due to lattice distortion and O-doping in Cu crystals. Typically, in CO2 reduction reactions, the selectivity and activity of ethanol are related to the asymmetric structure and strong interfacial interaction of Cu-O/C moieties, exhibiting an ideal Faradaic efficiency (ethanol 75.3% and C2+ products 90.5%) at -1.1 V vs reversible hydrogen electrode (RHE). Meanwhile, the benefit of the strong interaction between Cu nanoclusters and GA supports, the catalyst exhibits long-term stability. In situ XAFS reveals that the Cu4-Cu/C2O1 interaction displays the effective active sites in CO2RR. The pathways of corresponding products and the reaction mechanism on Cu4-Cu/C2O1 moieties are revealed through the in situ attenuated total reflectance Fourier transform infrared spectroscopy and the calculation of density functional theory. This work gives a new solution to solve the challenge for balancing the activity and stability of asymmetric-structure catalysts toward energy conversion reactions.
RETRACTED: Exploring Spatio-Temporal Heterogeneity and Inter-Domain Ecological Networks of biological community in a Marine Ranching Habitat: Implications for fishery resources conservation
Authors: Lei Zeng , Guobao Chen , Tingting Zheng , Yuxiang Chen , jie Yu , Wuhui Li 
Published: March 2024

Abstract

The authors have requested that this preprint be removed from Research Square.
Identification and validation of M2 macrophage-related differential genes in DLBCL
Authors: Cui Hongxia , Lou Xiaoli , Wang Zhiming , Xia Wei , Zhang Yongsheng , Sui Yiqun , Zhang Xinyun , Li Bingzong 
Published: March 2024

Abstract
DLBCL is the most prevalent non-Hodgkin lymphoma, with 30-40% of patients are refractory or relapse after conventional immunotherapy. Growing evidence indicate that alterations in tumor microenvironment (TME) play a pivotal role in DLBCL progression, including polarization of macrophages to M2 phenotype, fostering tumor immunosuppressive status. Therefore, exploring molecular TME biomarkers in DLBCL is essential.
In this study, we analyzed association between M2 macrophages with gene expression by CIBERSORT algorithm in 420 samples from the GSE10846 dataset.
GO and KEGG enrichment analyses revealed these differential genes involving in cytokine-mediated signaling pathways and cytokine activity. Univariate COX regression analysis determined 28 prognostic-related differential genes, with Hypoxia-inducible factor 1-alpha (HIF1a) being positively correlated.
A LASSO logistic regression model was then established with superior sensitivity and specificity. High-risk patients exhibited worse outcomes and GSEA analysis identified several pathways associated with the low-risk group, involving cytokine-cytokine receptor interaction.
Moreover, risk scores were significantly correlated with immune checkpoint genes.
RT-qPCR and immunostaining analyses on clinical sample and co-culture experiments further confirmed the downregulation of HIF1a in samples with higher content of M2 macrophages and adverse prognosis.
These findings highlight the importance of M2 macrophages and MDGs in DLBCL prognosis and suggest the potential clinical utility in predicting patient outcomes.
Liquiritin Ameliorates Painful Diabetic Neuropathy in SD Rats by Inhibiting NLRP3-MMP-9- mediated Reversal of Aquaporin-4 Polarity in The Glymphatic System
Authors: Jia Shuai-ying , Li Jiang , Xu Wen-mei , Yan Wei , Lin Jing-yan 
Published: March 2024

Abstract

Despite advancements in diabetes treatment, the management of painful diabetic neuropathy (PDN) remains challenging. Our previous research indicated a significant correlation between the expression and distribution of Aquaporin-4 (AQP4) in the spinal glymphatic system and PDN. However, the potential role and mechanism of liquiritin in PDN treatment remain uncertain. This study established a rat model of PDN using a combination of low-dose streptozotocin (STZ) and a high-fat, high-sugar diet. Rats were treated with liquiritin and MCC950 (an NLRP3 inhibitor). We monitored fasting blood glucose, body weight, and mechanical allodynia periodically. The glymphatic system's clearance function was evaluated using Magnetic Resonance Imaging (MRI), and changes in proteins including NLRP3, MMP-9, and AQP4 were detected through immunofluorescence and Western blot techniques. The results indicate that after treatment, PDN rats showed improvements in all measured parameters. Consequently, liquiritin may alleviate PDN by modulating AQP4 expression through the NLRP3-MMP-9 pathway.
Deep Learning for Green Chemistry: An AI-Enabled Pathway for Biodegradability Prediction and Organic Material Discovery
Authors: Gbadago Dela Quarme , Hwang Gyuyeong , Lee Kihwan , Hwang Sungwon 
Published: March 2024

Abstract

The increasing global demand for eco-friendly products is driving innovation in sustainable chemical synthesis, particularly the development of biodegradable substances. Herein, a novel method utilizing artificial intelligence (AI) to predict the biodegradability of organic compounds is presented, overcoming the limitations of traditional prediction methods that rely on laborious and costly density functional theory (DFT) calculations. We propose leveraging readily available molecular formulas and structures represented by simplified molecular-input line-entry system (SMILES) notation and molecular images to develop an effective AI-based prediction model using state-of-the-art machine learning techniques, including deep convolutional neural networks (CNN) and long-short term memory (LSTM) learning algorithms, capable of extracting meaningful molecular features and spatiotemporal relationships. The model is further enhanced with reinforcement learning (RL) to better predict and discover new biodegradable materials by rewarding the system for identifying unique and biodegradable compounds. The combined CNN-LSTM model achieved an 87.2% prediction accuracy, outperforming CNN- (75.4%) and LSTM-only (79.3%) models. The RL-assisted generator model produced approximately 60% valid SMILES structures, with over 80% being unique to the training dataset, demonstrating the model's capability to generate novel compounds with potential for practical application in sustainable chemistry. The model was extended to develop novel electrolytes with desired molecular weight distribution.
Evaluating the Performance and Robustness of PIR and QIR Maintenance strategies Using Monte Carlo Method
Authors: Cheikh Khamiss , Boudi EL Mostapha , Rabi Rabi , Mokhliss Hamza 
Published: March 2024

Abstract

In the literature, maintenance plan efficacy is often assessed based on the long-term predicted maintenance cost rate, indicating a performance-centric approach. However, this criteria doesn't account for the fluctuation in maintenance costs over renewal cycles, and typical solutions may not be adequate from a risk management standpoint, a robustness viewpoint. This study tries to rethink standard solutions considering both performance and robustness, and thus, offer more suitable maintenance options.Specifically, using the long-term expected maintenance cost rate as the performance metric and the variance of maintenance cost per renewal cycle as the robustness metric, the study examines two representatives of time-based and condition-based maintenance approaches: a block replacement strategy and a periodic inspection and replacement strategy. Mathematical cost models are created based on the homogeneous Gamma degradation process and probability theory.Comparative study of both maintenance techniques demonstrates that the higher-performing approach carries a larger amount of risk. Consequently, a full examination of both performance and resilience is required in selecting a more dependent maintenance option. These maintenance solutions, together with the employment of the Monte Carlo Method, are contrasted against each other using a unique criteria that analyzes the degree of performance and robustness of each adaptation in maintenance decision-making.
The structural studies of Escherichia coli CyaY at ambient and cryogenic temperatures
Authors: DeMirci Hasan , Shafiei Alaleh , Baldir Nilufer , Destan Ebru , Na Jongbum , Kim Jin Hae 
Published: March 2024

Abstract

Frataxin is a 23 KDa mitochondrial iron-binding protein that is involved in biogenesis of iron-sulfur clusters. A deficiency in frataxin can lead to Friedreich's ataxia, a progressive neurodegenerative disorder. The bacterial ortholog of eukaryotic mitochondrial frataxin, CyaY, is thought to play a role in iron-sulfur cluster assembly as an iron supplier, making it an important target for study. Here, we present the first ambient temperature X-ray crystal structure of CyaY protein from Escherichia coli, obtained using the Turkish Light Source “Turkish DeLight”. Furthermore, we determined the cryogenic structure under the same experimental conditions, allowing a detailed comparison between the two structures. This study reveals the structural characteristics of CyaY at near-to-physiological temperature and highlights the importance of temperature dependency in protein structure characterization and providing new insights into protein dynamics.
Surface hydrodynamic variations and their forcing mechanisms over the past ~412,000 years from the western equatorial Indian Ocean
Authors: Kumar Brijesh , Govil Pawan , Agrawal Shailesh , Kumar Pankaj , Verma Divya , Khan Hidayatullah 
Published: March 2024

Abstract

Indian Ocean's tropical region receives the most insulation and is influenced by factors such as the intensity of trade winds, global walker circulations, and teleconnections. The western equatorial Indian Ocean (WEIO) is crucial for studying the variability of Indian monsoons in the past. To better understand the changes in mixed layer hydrodynamics and productivity over the past ~ 412 ka, we examined the planktonic foraminifera Globigerinoides ruber (G. ruber) oxygen and carbon isotope record (δ18OG.ruber, δ13CG.ruber) in core VM29045-PC taken from the WEIO (6° 00’ S, 69° 02’ E; 2860 m water depth). The chronology was established using five radiocarbon (14C) dates and δ18OG.ruber compared with global isostack LR04. The values of δ18OG.ruber were lower during Marine isotopic stage (MIS )11, MIS 5, and MIS 1, indicating higher SST, precipitation, and a strong summer monsoon. In contrast, MIS 10 and MIS 2 showed much higher values corresponding to cool and dry periods. The cooling intensities and interstadial cycles in MIS 10 and MIS 2 would be due to the Indian Ocean Dipole (IOD)/ equatorial westerly wind variability. The record (δ18OG.ruber and δ13CG.ruber) was compared globally with the western Pacific warm pool (WPWP), Southern Agulhas Bank (SAB), and southeast Atlantic (SEA), which showed coherency with Indian and other Ocean basins and interstadial warming during the glacial periods MIS 10 and MIS 2. It showed less cooling during MIS 6, MIS 8, and lower productivity. Higher productivity was observed during mid-MIS 10 and 9, and MIS 3 − 1, corresponding to higher δ13CG.ruber values.
Can Airflow Manipulation Disrupt the Transmission of COVID-19 Variants and Highly Infectious Droplets?
Authors: Saad Mina A. , Hassan Amr Ali , Hanafy Ahmed A. , Salem Mahmoud H. , William Micheal A. 
Published: March 2024

Abstract

In the ongoing battle against new variants of COVID-19 and airborne-transmitted diseases, the focus on indoor air quality, particularly in enclosed spaces, has intensified. This study utilizes computational fluid dynamics (CFD) modelling to investigate how different air distribution setups can impact the spread of airborne COVID-19 particles. Air distribution systems are at the forefront of this research, specifically examining supply and exhaust diffuser placements and their effects on droplet dispersion dynamics. Results reveal a promising reduction (10–21%) in residual droplet mass over a 10-second period when exhaust diffusers are strategically located above cough sources. This underscores the pivotal role of ventilation design in curbing airborne transmission. Furthermore, the analysis sheds light on variations (2.7–8.9%) in droplet Sauter mean diameter across different configurations, underscoring the significance of airflow patterns in dictating droplet size distribution and infection control efficacy. The study also emphasizes the importance of maintaining social distancing measures, showcasing a substantial decrease (82–89%) in viral concentration at a 2-meter distance, despite ventilation imperfections. In summary, this study highlights the critical role of ventilation design in combating airborne COVID-19 transmission within office environments. These findings offer valuable insights into optimizing airflow patterns, enhancing overall safety measures, and informing effective strategies to tackle the pandemic.
Permeability of tight carbonate rocks from sensitivity-driven Evolutionary Polynomial Regression
Authors: Gomes Ruan G. S. , Gomes Guilherme J. C. , Vrugt Jasper , Vargas Euripedes 
Published: March 2024

Abstract

The permeability (K) of tight carbonate rocks is important to maximize the efficiency of hydrocarbon production and overall reservoir management. While such property is crucial for engineering design, conducting experimental tests to determine K can be both time-consuming and expensive. As such, reliable and high-fidelity models derived with soft computing techniques become useful for estimating K. Using a data set containing samples from 130 data points published in the literature, this work developed a sensitivity-driven evolutionary polynomial regression (EPR) model to predict K. The model computes the permeability, log10K (mD), as a function of three explanatory variables: porosity, ϕ (-), formation factor, F (-), and the characteristic pore throat diameter, dPT (m). One unique feature of our approachis that it considers the physical meaning of the variables that influence the investigated phenomenon during the construction of the model. Verification of the methodology was carried out using split-sampling cross-validation. The developed model showed attributes such as parsimony (lower number of parameters and input variables), good predictive capability (accurate tracking observed log10K), generalization ability (preserving physical meaning), and robustness (consistent performance under cross-validation). Sensitivity analysis revealed that the model can adequately simulate the increase in K with increasing ϕ and dPT, as well as its capacity to capture the non-linear relationship between log10K and F. Comparison of simulated K-values with results of models published in the literature, further validated the ability of our optimum EPR model structure. The proposed model shows potential as a promising method to estimate the permeability of tight carbonate rocks.
Unveiling the concealed reactivity of masked diformylmethane with RAHB-assisted enamines leads to dissymmetric di-meta-substituted pyridines
Authors: Park Seung Bum , Yi Sihyeong , Lee Ji Hyae , Cho Hana , Vaithegi Kannan , Yi Dawon , Noh Sijun 
Published: March 2024

Abstract
Pyridine, an essential structure in drug development, shows a wide array of bioactivities according to its substitution patterns. Among the bioactive pyridines, meta-substituted pyridines suffer from limited synthetic approaches despite their significance. In this study, we present a novel synthetic method enabling the facile incorporation of biologically relevant functional groups at the meta position of pyridine. This methodology unveiled the concealed reactivity of 3-formyl(aza)indoles as diformylmethane analogs for synthesizing dissymmetric di-meta-substituted pyridines without ortho and para substitutions. Furthermore, we uncovered resonance-assisted hydrogen bonding (RAHB) as the requirement for the in-situ generation of enamines, the key intermediates of this transformation. Successful development of the designed methodology linked to wide applications—core remodeling of natural products, drug–natural product conjugation, late-stage functionalization of drug molecules, and synthesis of an unprecedented regioisomer of CZC24832. Furthermore, we discovered anti-inflammatory agents through the functional evaluation of synthesized bi-heteroaryl analogs, signifying the utility of this methodology.
The Relationship of Sports Participation on School Bullying among College Students: The Mediating Role of Psychological resilience and the Moderating Role of Self-Esteem
Authors: Yiyi Ouyang , Jiong Luo , Rui Luo 
Published: March 2024

Abstract
Objective
To provide a reference for undergraduates to develop healthy and confident lifestyles through exploring the effects of Sports participation on school bullying among college students and their inherent mechanism.
Methods
The undergraduates from two universities in Southwest China region were selected as subjects in the manner of stratified and random sampling, and the data was processed by SPSS 19.0 and AM0S21.0 statistical software.
Results
1) Sports participation significantly and negative predicted the school bullying. 2) Psychological resilience played an intermediary role between sports participation and school bullying. 3) Self-esteem plays a regulatory role in the second half of the mediating effect of psychological resilience. With the rises of self-esteem, mediating effect of psychological resilience would gradually increase.
Conclusion
Sports participation can affect school bullying among college students through both direct and indirect paths, mediated by intermediary role of psychological resilience. Meanwhile, the effects of self-esteem on school bullying among college students are not ignorable. Therefore, self-esteem is believed to be another key factor influencing school bullying among college students in addition to sports participation and psychological resilience.
Successful large-scale and long-term kelp forest restoration by culling sea urchins with quicklime; and supported by crab predation
Authors: Christie Hartvig , Moy Frithjof E , Fagerli Camilla W , Rinde Eli , Strand Mette , Tveiten Lise A , Strand Hans K 
Published: March 2024

Abstract

In 2013 we initiated a large-scale (70 hectare) kelp forest restoration experiment in a sea urchin induced kelp barren that had been stable for 45 years. We used 200 tons of quicklime for sea urchin culling. The immediate high sea urchin mortality was followed by recovery of kelp species within a year. Quickliming did not significantly affect the abundance of nontarget species on the barrens. Whereas the kelps and other macroalgae recovered within a year after the quicklime treatment, the mobile kelp fauna community did not recover at the same rate, probably due to slower dispersal abilities and predation from increasing fish and crab populations. The monitoring period (2013-2021) encompassed the expansion of invasive red king crabs as a new urchin predator, leading to reduced sea urchin populations and kelp recovery also in the control areas from two years after the experimental culling. Even in the presence of high sea urchin recruitment, the restored kelp forest was sustained, and the area of recovered kelp forest increased in the following years, likely due to increased predation on the urchins. The study shows that quickliming can initiate kelp recovery within large urchin barrens, but it cannot conclude that the lime-initiated kelp forest would have persisted without predation by king crabs. We postulate that the recovery of kelps outside the limed areas was due to crab predation, and that successful kelp restoration in areas with recruitment of sea urchins depends on a persistent predator control, alternatively repeated culling or harvesting of the urchins.
TET1 was correlated with prognosis and immunity in glioma: analysis of the TET protein family
Authors: Li Man , Zhou Xingang , Feng Enshan , Zhang Liang , Qi Liming , Wang Peng , Liu Ting 
Published: March 2024

Abstract

Background
The ten-eleven translocation (TET) protein family, which includes TET1, TET2, and TET3, plays a crucial role in tumorigenesis by either activating or repressing the transcription of target genes in different cellular processes. However, the role of TET protein family in glioma is currently unclear.
Methods
We analyzed the expression level of TET protein family in pan-cancer and their correlation with prognosis using the GTEx and TCGA databases. We also acquired both genomic sequencing profiles and patients’ clinical details for healthy brain samples and glioma specimens from the databases of TCGA and CGGA. The differential expression of TET protein family in glioma and their correlation with prognosis were analyzed. The results have been subsequently confirmed using immunohistochemistry techniques. To evaluate risk elements associated with the occurrence and progression of glioma, we employed both univariate and multivariate Cox regression analyses. Furthermore, we performed analyses of functional enrichment, specifically focusing on genes related to TET1, using Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG). To evaluate the correlation between immune cell infiltration level and TET1 expression in glioma, we employed the single-sample GSEA (ssGSEA) approach. Moreover, we investigated the association between TET1 and drug sensitivity.
Results
Expression levels of TET protein family were markedly increased in glioma relative to normal tissue. The increase is more significant in IDH-mutant glioma compared to IDH-wildtype glioma, as confirmed by immunohistochemical analysis. TET1 expression levels correlate with tumor grades in glioma, regardless of IDH mutation status, but TET2 and TET3 expressions do not show a similar relationship. TET1 was also found to be an independent prognostic factor for glioma by univariate and multifactorial Cox analysis. Research on biological processes has revealed a strong correlation between TET1 and immunity. Additionally, the expression of TET1 showed a correlation with the presence of macrophages, neutrophils, eosinophils, T cells, and Tcm in tumor infiltration. Further study also revealed that TET1 is linked to drug sensitivity.
Conclusion
TET1, rather than TET2 and TET3, is a critical prognostic biomarker that is associated with the progression, prognosis, and immunity in glioma.