bluuebunny/crossref_metadata_2025_split huggingface dataset:
Developmental outcomes in Italian young cancer survivors: The effect of lack of social support in physical activity practice on quality of life and mental health
Authors: Gentile Ambra , Bartolo Luca Di , Ficarra Salvatore , Ortega‐Gómez Sonia , Jiménez‐Pavón David , Vantarakis Apostolos , Velissari Joanna , Tavares Paula , Gomes Beatriz , Thaller Joshua , Papakonstantinou Sofia , Kirkar Musa , Glorioso Francesca , Pusa Susanna , Galioto Marina , Bianco Antonino , Alesi Marianna 
Published: March 2024

AbstractLife expectancy among young cancer survivors has increased in the last decades. Unfortunately, young cancer survivors might still experience mental and physical issues due to cancer treatment. Moreover, although physical activity is a valid tool for increasing social support and reducing the risk of obesity, sedentary behaviour is very common among young cancer survivors. Therefore, the current pilot study aims to estimate lack of social support impact on physical activity practice on mental health and quality of life. A sample of 69 Italian young cancer survivors (60% females) were included in the study and physical activity, anxiety, depression and quality of life were assessed by self‐reported questionnaires. The results showed that a lack of social support for exercising was connected to higher depressive symptoms, while no influence was detected on anxiety. Concerning quality of life, the analysis of variance model showed a significant effect of the lack of social support on physical mobility but not on self‐care, usual activities, pain and discomfort and general health. In conclusion, integrating physical activity in young cancer survivors' lifestyle, considering cancer‐related side effects, might enhance their mental health and quality of life by providing social support at the same time. Healthcare professionals should evaluate the feasibility and support adapted physical activity programmes for young cancer survivors, to reduce the risk of depression and obesity, among others.
Antiplatelet and Anticoagulant Effects of Two New Phenylpropanoid Sucrose Esters and Other Secondary Metabolites from the Aerial Part of Canna edulis
Authors: Nguyen Thi Van Anh , Nguyen Thi Minh Hang , Ha Thi Thoa , Nguyen Thuy Duong , Bui Duc Huy 
Published: March 2024

AbstractThis study isolated pure compounds from Canna edulis aerial parts and assessed their antiplatelet and anticoagulant potential. Structural elucidation resulted in the identification of two new compounds: caneduloside A (1) and caneduloside B (2), and eleven known compounds: 6’‐acetyl‐3,6,2’‐tri‐p‐coumaroyl sucrose (3), 6′‐acetyl‐3,6,2′‐triferuloyl sucrose (4), tiliroside (5), afzelin (6), quercitrin (7), 2‐hydroxycinnamaldehyde (8), cinnamic acid (9), 3,4‐dimethoxycinnamic acid (10), dehydrovomifoliol (11), 4‐hydroxy‐3,5‐dimethoxybenzaldehyde (12), and (S)‐(−)‐rosmarinic acid (13). Compounds 3, 4, 6–9, 13 were previously reported for antithrombotic properties. Hence, antithrombotic tests were conducted for 1, 2, 5, 10–12. All tested compounds demonstrated a dose‐dependent antiaggregatory effect, and 10 and 12 were the most potent for both ADP and collagen activators. Additionally, 10 and 12 showed anticoagulant effects, with prolonged prothrombin time and activated partial thromboplastin time. The new compound 1 displayed antiplatelet and anticoagulant activity, while 2 mildly inhibited platelet aggregation. C. edulis is a potential source for developing antithrombotic agents.
Understanding the Performance of (Ni−Fe−Co−Ce)Ox‐Based Water Oxidation Catalysts via Explainable Artificial Intelligence Framework
Authors: Rossener Regonia Paul , Pelicano Christian Mark 
Published: March 2024

AbstractAmong the most active oxygen evolution reaction (OER) catalysts, mixed metal oxides based on Ni, Fe, and Co metals are recognized as economical yet excellent replacements for RuO2 and IrOx. However, tuning and searching for optimal compositions of multi–element–compound electrocatalysts is a big challenge in catalysis research. Conventional materials screening experiments and theoretical simulations are labor–intensive and time–consuming. Machine learning offers a promising paradigm for accelerating electrocatalyst research and simultaneously understanding composition–activity correlation. Herein, we introduce an Explainable AI (XAI) framework for predicting the electrocatalytic performance of OER catalysts. By integrating the robust Random Forest (RF) model for machine learning with the Shapley Additive Explanations (SHAP) method for model explanation, we achieved accurate predictions of the overpotential for various compositions of (Ni−Fe−Co−Ce)Ox catalysts (R2=0.8221). More importantly, we obtained valuable insights into how each metal and their interactions influence the overpotential of the catalysts. Our results highlight the versatility of the RF model with SHAP in identifying the optimal composition of (Ni−Fe−Co−Ce)Ox catalysts for electrocatalytic oxygen evolution, showing its potential applicability across various catalyst synthesis methods. Finally, we anticipate that this work will lead to exciting possibilities in designing highly active multi–element compound electrocatalysts with the aid of explainable AI.
Poisoning Mechanism of the CO and H2S Mixture on the Anode of Polymer Electrolyte Membrane Fuel Cell
Authors: Park Sunjin , Oh Hyeongkyun , Kim Hansung 
Published: March 2024

AbstractDespite the coexistence of CO and H2S in reformed hydrogen, studies on the interaction between impurities are lacking. In this study, the co‐poisoning effect of CO and H2S on a polymer electrolyte membrane fuel cell (PEMFC) is systematically investigated using a hydrogen reference electrode inserted into a membrane electrode assembly (MEA). Notably, when CO and H2S are present simultaneously, the poisoning rate is accelerated and is higher than the simple sum of the poisoning by the individual gases, suggesting a complex synergic effect between the two gases. This phenomenon can be attributed to the potential‐dependent behavior of H2S poisoning, whereas CO poisoning remains independent of the potential but depends on the total poisoning time. Therefore, the potential of the anode rises over time due to the time‐dependent CO poisoning, which accelerates the potential‐dependent H2S poisoning. As a result, the cell voltage decreases more rapidly in the CO and H2S mixture.
Inducing α‐Helicity in Peptides by Silver Coordination to Cysteine
Authors: Fischer Niklas , Tóth Annamária , Jancsó Attila , Thulstrup Peter , Diness Frederik 
Published: March 2024

AbstractShort peptide sequences consisting of two cysteine residues separated by three other amino acids display complete change from random coil to α‐helical secondary structure in response to addition of Ag+ ions. The folded CXXXC/Ag+ complex involves formation of multinuclear Ag+ species and is stable in a wide pH range from below 3 to above 8. The complex is stable through reversed‐phase HPLC separation as well as towards a physiological level of chloride ions, based on far‐UV circular dichroism spectroscopy. In electrospray MS under acidic conditions a peptide dimer with four Ag+ ions bound was observed, and modelling based on potentiometric experiments supported this to be the dominating complex at neutral pH together with a peptide dimer with 3 Ag+ and one proton at lower pH. The complex was demonstrated to work as a N‐terminal nucleation site for inducing α‐helicity into longer peptides. This type of silver‐mediated peptide assembly and folding may be of more general use for stabilizing not only peptide folding but also for controlling oligomerization even under acidic conditions.
Cellular Uptake of Cell‐Penetrating Peptides Activated by Amphiphilic p‐Sulfonatocalix[4]arenes
Authors: Huang Chusen , Liu Yan‐Cen , Oh Hyeyoung , Guo Dong‐Sheng , Nau Werner M. , Hennig Andreas 
Published: March 2024

AbstractWe report the synthesis of a series of amphiphilic p‐sulfonatocalix[4]arenes with varying alkyl chain lengths (CX4‐Cn) and their application as efficient counterion activators for membrane transport of cell‐penetrating peptides (CPPs). The enhanced membrane activity is confirmed with the carboxyfluorescein (CF) assay in vesicles and by the direct cytosolic delivery of CPPs into CHO−K1, HCT 116, and KTC‐1 cells enabling excellent cellular uptake of the CPPs into two cancer cell lines. Intracellular delivery was confirmed by fluorescence microscopy after CPP entry into live cells mediated by CX4‐Cn, which was also quantified after cell lysis by fluorescence spectroscopy. The results present the first systematic exploration of structure‐activity relationships for calixarene‐based counterion activators and show that CX4‐Cn are exceptionally effective in cellular delivery of CPPs. The dodecyl derivative, CX4‐C12, serves as best activator. A first mechanistic insight is provided by efficient CPP uptake at 4 °C and in the presence of the endocytosis inhibitor dynasore, which indicates a direct translocation of the CPP‐counterion complexes into the cytosol and highlights the potential benefits of CX4‐Cn for efficient and direct translocation of CPPs and CPP‐conjugated cargo molecules into the cytosol of live cells.
Identification of the Cirratiomycin Biosynthesis Gene Cluster in Streptomyces Cirratus: Elucidation of the Biosynthetic Pathways for 2,3‐Diaminobutyric Acid and Hydroxymethylserine
Authors: Sakata Shunki , Li Jiafeng , Yasuno Yoko , Shinada Tetsuro , Shin‐ya Kazuo , Katsuyama Yohei , Ohnishi Yasuo 
Published: March 2024

AbstractCirratiomycin, a heptapeptide with antibacterial activity, was isolated and characterized in 1981; however, its biosynthetic pathway has not been elucidated. It contains several interesting nonproteinogenic amino acids, such as (2S,3S)‐2,3‐diaminobutyric acid ((2S,3S)‐DABA) and α‐(hydroxymethyl)serine, as building blocks. Here, we report the identification of a cirratiomycin biosynthetic gene cluster in Streptomyces cirratus. Bioinformatic analysis revealed that several Streptomyces viridifaciens and Kitasatospora aureofaciens strains also have this cluster. One S. viridifaciens strain was confirmed to produce cirratiomycin. The biosynthetic gene cluster was shown to be responsible for cirratiomycin biosynthesis in S. cirratus in a gene inactivation experiment using CRISPR‐cBEST. Interestingly, this cluster encodes a nonribosomal peptide synthetase (NRPS) composed of 12 proteins, including those with an unusual domain organization: a stand‐alone adenylation domain, two stand‐alone condensation domains, two type II thioesterases, and two NRPS modules that have no adenylation domain. Using heterologous expression and in vitro analysis of recombinant enzymes, we revealed the biosynthetic pathway of (2S,3S)‐DABA: (2S,3S)‐DABA is synthesized from l‐threonine by four enzymes, CirR, CirS, CirQ, and CirB. In addition, CirH, a glycine/serine hydroxymethyltransferase homolog, was shown to synthesize α‐(hydroxymethyl)serine from d‐serine in vitro. These findings broaden our knowledge of nonproteinogenic amino acid biosynthesis.
Identification of Potential Inhibitors of the SARS‐CoV‐2 NSP13 Helicase via Structure‐Based Ligand Design, Molecular Docking and Nonequilibrium Alchemical Simulations
Authors: Di Paco Giorgio , Macchiagodena Marina , Procacci Piero 
Published: March 2024

AbstractWe have assembled a computational pipeline based on virtual screening, docking techniques, and nonequilibrium molecular dynamics simulations, with the goal of identifying possible inhibitors of the SARS‐CoV‐2 NSP13 helicase, catalyzing by ATP hydrolysis the unwinding of double or single‐stranded RNA in the viral replication process inside the host cell. The druggable sites for broad‐spectrum inhibitors are represented by the RNA binding sites at the 5’ entrance and 3’ exit of the central channel, a structural motif that is highly conserved across coronaviruses. Potential binders were first generated using structure‐based ligand techniques. Their potency was estimated by using four popular docking scoring functions. Common docking hits for NSP13 were finally tested using advanced nonequilibrium alchemical techniques for binding free energy calculations on a high‐performing parallel cluster. Four potential NSP13 inhibitors with potency from submicrimolar to nanomolar were finally identified.
Computation offloading techniques in edge computing: A systematic review based on energy, QoS and authentication
Authors: Kanupriya  , Chana Inderveer , Goyal Raman Kumar 
Published: March 2024

SummaryIn today's era, Internet of Things (IoT) devices generate a vast amount of data, which is typically stored in the cloud environment and can be accessed by edge and IoT devices. The data generated by these devices are offloaded through computation offloading (CO) techniques in an edge/cloud computing environment. This paper conducts a systematic literature review (SLR) to review the state‐of‐the‐art CO techniques in edge computing (EC) in the context of energy, Quality of Service (QoS), authentication and traceability. In this SLR, the evolution of offloading techniques is analyzed in detail. A total of 138 articles, spanning from 2016 to 2023 (till date), have been classified into QoS, energy, and authentication and traceability‐based CO techniques. The optimization‐based techniques are the most preferred choices to improve the QoS and reduce energy in the research field of CO in EC. In addition, this paper explores the significant issues and challenges that require further investigation. For future research, energy, QoS, and data provenance for dependent or dynamic task offloading in mobility scenarios can be explored further.
Direct Conjugation of Gallium‐(III)‐Corroles to Short Interfering RNA(siRNA) Providing Real‐Time siRNA Imaging and Gene Silencing
Authors: Giorgees Ifrodet , Affe Vanessa , Williams Islah , Desaulniers Jean‐Paul 
Published: March 2024

AbstractDiscovering new modifications for oligonucleotide therapeutics is essential for expanding its application to new targets and diseases. In this project, we focus on conjugating metaled ligands to short interfering RNAs (siRNAs) to investigate robust and simple conjugation methods for adding new properties such as real‐time imaging to the siRNA. Here we report the chemical synthesis of novel Ga‐(III)‐corroles for their direct conjugation to siRNAs. Ga‐(III)‐corrole‐siRNAs showed promising results when evaluated for gene silencing and live cell imaging. The knockdown activity of the firefly luciferase reporter gene was measured to evaluate gene silencing activity. Gene silencing studies from two 5’‐Ga‐(III)‐labeled‐siRNAs exhibited dose‐dependent knockdown with IC50s of 812.7 and 451.4 pM, which is comparable to wild‐type (IC50=439.7 pM) in the absence of red light, and IC50s of 562.9 and 354.5 pM, which is also comparable to wild‐type (IC50=337.4 pM), in the presence of red light. In addition, imaging studies with Ga‐(III)‐corrole‐modified siRNAs showed intense fluorescence in HeLa cells, highlighting that the Ga‐(III)‐corrole modification is an effective fluorophore for siRNA tracing and imaging. Moreover, the photodynamic activity of free base corrole vs the Ga‐(III)‐corrole was evaluated. Results show an increase of light cytotoxicity of the corrole ligand upon the addition of Ga‐(III); however, no phototoxicity was observed when Ga‐(III) ligands were linked to siRNA. In conclusion, Ga‐(III)‐corrole‐siRNAs show promising results for applications in simultaneous real‐time imaging and gene silencing.
Effect of Salts on Laccase‐Catalyzed Polymerization of Lignosulfonate
Authors: Mayr Sebastian A. , Rennhofer Harald , Gille Lars , Schwaiger Nikolaus , Nyanhongo Gibson S. , Weiss Renate , Guebitz Georg M. 
Published: March 2024

AbstractEnzymatic polymerization of lignosulfonate (LS) has a high potential for various applications ranging from coatings to adhesives. Here, the effect of different ions in low concentrations on enzymatic polymerization of LS was investigated, including salt solutions consisting of mono‐ and dicarboxylic acids, sulfate, phosphate and chloride with sodium as counter ion. LS polymerization was followed by viscometry and size exclusion (SEC) chromatography. Interestingly, there was only a small effect of ions on the activity of the laccase on standard substrate ABTS, while the effect on polymerization of LS was substantially different. The presence of acetate led to a 39 % higher degree of polymerization (DP) for LS. Small angle X‐ray scattering (SAXS) revealed that the structure of the enzyme was largely unaffected by the ions, while the determination of the zeta potential showed that those ions conveying higher negative surface charges onto LS particles showed lower DPs, than those not affecting the surface charge. Further, electron paramagnetic resonance (EPR) spectroscopy showed 5‐times higher intensity in phenoxyl radicals for the monovalent ions compared to the divalent ones. It was concluded that the DPs of LS could be tuned in the presence of certain ions, by facilitating the interaction between the laccase substrate‐binding site and the LS molecules.
Testing effects of bottom‐up factors, grazing, and competition on New Zealand rocky intertidal algal communities
Authors: Spiecker Barbara J. , Menge Bruce A. 
Published: March 2024

AbstractTop‐down and bottom‐up factors and their interaction highlight the interdependence of resources and consumer impacts on food webs and ecosystems. Variation in the strength of upwelling‐mediated ecological controls (i.e., light availability and herbivory) between early and late succession stages is less well understood from the standpoint of influencing algal functional group composition. We experimentally tested the effect of light, grazing, and disturbance on rocky intertidal turf‐forming algal communities. Studies were conducted on the South Island of New Zealand at Raramai on the east coast (a persistent downwelling region) and Twelve Mile Beach on the west coast (an intermittent upwelling region). Herbivory, light availability, and algal cover were manipulated and percent cover of major macroalgal functional groups and sessile invertebrates were measured monthly from October 2017 to March 2018. By distinguishing between algal functional groups and including different starting conditions in our design, we found that the mosaic‐like pattern of bare rock intermingled with diverse turf‐forming algae at Twelve Mile Beach was driven by a complex array of species interactions, including grazing, predation, preemptive competition and interference competition, colonization rates, and these interactions were modulated by light availability and other environmental conditions. Raramai results contrasted with those at Twelve Mile Beach in showing stronger effects of grazing and relatively weak effects of other interactions, low colonization rates of invertebrates, and light effects limited to crustose algae. Our study highlights the potential importance of an upwelling‐mediated 3‐way interaction among herbivory, light availability, and preemption in structuring contrasting low rocky intertidal macroalgal communities.
An ensemble model for stock index prediction based on media attention and emotional causal inference
Authors: Wang Juanjuan , Zhou Shujie , Liu Wentong , Jiang Lin 
Published: March 2024

AbstractElectronic and digital trading models have made stock trading more accessible and convenient, leading to exponential growth in trading data. With a wealth of trading data available, researchers have found opportunities to extract valuable insights by uncovering patterns in stock price movements and market dynamics. Deep learning models are increasingly being employed for stock price prediction. While neural networks offer superior computational capabilities compared with traditional statistical methods, their results often lack interpretability, limiting their utility in explaining stock price volatility and investment behavior. To address this challenge, we propose a causality‐based method that incorporates a multivariate approach, integrating news event attention sequences and sentiment index sequences. The goal is to capture the intricate and multifaceted relationships among news events, media sentiment, and stock prices. We illustrate the application of this proposed approach using a Global Database of Events, Language, and Tone global event database, demonstrating its benefits through the analysis of attention sequences and media sentiment index sequences for news events across various categories. This research not only identifies promising directions for further exploration but also offers insights with implications for informed investment decisions.
Text‐based corn futures price forecasting using improved neural basis expansion network
Authors: Wang Lin , An Wuyue , Li Feng‐Ting 
Published: March 2024

AbstractThe accurate forecasting of agricultural futures prices is critical for ensuring national food security. Therefore, this study proposes a text‐based deep learning forecasting model. This model first uses the ChineseBERT + a text convolution neural network to classify Weibo text and obtain a raw sentiment index. Then, complete ensemble empirical mode decomposition with adaptive noise, variational mode decomposition, correlation coefficient, and sample entropy are combined to decompose and reconstruct the raw sentiment index and obtain a denoised sentiment index. Subsequently, the neural basis expansion analysis with exogenous variables is improved by designing a weight coefficient and Optuna is used to optimize the designed weight coefficient and the hyperparameters. Finally, the SHapley Additive exPlanations value is used to increase the interpretability of prediction results. Corn futures prices for the Dalian Exchange are used in forecasting to validate the accuracy and stability of the proposed model. Experimental results show that the proposed denoising sentiment index contributes more to the improvement of predictive model performance than the raw sentiment index. The proposed text‐based deep predictive model demonstrates strong predictive ability for prediction horizons of 30 and 60 days. SHapley Additive exPlanations value analysis shows that the three features with greater effects on corn futures prices are as follows: “Corn Spot Price of Zhengzhou market,” “CBOT_corn_futures_price,” and “Pork futures price.”
Bitter melon extract mitigates heterocyclic aromatic amine formation in chicken thigh meat
Authors: Gumus Damla , Macit Arife , Guzel Bengu , Tengilimoglu‐Metin M. Merve , Kizil Mevlude 
Published: March 2024

AbstractThe purpose of the present research was to study the impact of bitter melon extract (BME) on the generation of heterocyclic aromatic amines (HAAs) in chicken thigh meat. Raw chicken samples were marinated overnight with various levels (0%, 0.5%, and 1%) of BME, and pan‐fried at 150, 200, and 250°C for a total of 10 min. IQx, IQ, MeIQx, MeIQ, 7,8‐DiMeIQx, 4,8‐DiMeIQx, PhIP, AαC, and MeAαC were detected in quantities that varied according to the cooking temperature and the concentration of BME. Notably, IQx, MeIQx, MeIQ, 7,8‐DiMeIQx, 4,8‐DiMeIQx, and AαC levels were reduced through the application of the marinade. Cooking at higher temperatures led to elevated levels of total HAAs. Total HAA levels were 0.98 ± 1.12 ng/g, 3.82 ± 2.12 ng/g, and 6.25 ± 3.35 ng/g in samples cooked at 150, 200, and 250°C, respectively (p < .01). BME demonstrated its effectiveness in mitigating total HAA levels, showing reductions ranging from 25.9% to 69.9%. The most effective concentration of BME in reducing total HAAs was 1% for all cooking temperatures, which might be attributed to its antioxidant activity. These results carry substantial implications for potentially incorporating natural extracts such as BME into chicken products as a viable strategy to reduce HAAs, thus enhancing the safety and quality of meat products.