bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular imprinting based sensor system developed using polymeric nanoparticles for detecting 17β‐estradiol in agricultural wastewater
Authors: Yaşar Esra , Özçelik Hilal , Güner Timuçin , Dokuzparmak Emre , Akgöl Sinan 
Published: September 2024

AbstractMicro pollutants pose a significant issue in water ecosystems. Particularly high concentrations of 17β‐estradiol (E2) have been identified in agricultural wastewater, which poses harmful effects on aquatic organisms and disrupts ecosystem balance. Therefore, effective determination of E2 from water sources is crucial. This study developed a biosensor capable of detecting E2 in wastewater using specific polymer nanoparticle synthesis through molecular imprinting. Est‐imp‐poly(multi‐walled carbon nanotubes‐glycidyl methacrylate [MWCNT‐GMA]) polymer nanoparticles were synthesized using a surfactant‐free emulsion polymerization method, and their characterization was conducted using FTIR and scanning electron microscopy (SEM) technologies. The Qmax value for Est‐imp‐poly(MWCNT‐GMA) nanoparticles in a 1 mg/mL E2 solution was determined to be 140 ppm. Comparing adsorption capacities, the molecularly imprinted nanoparticles (MIP) showed nearly five times higher E2 adsorption compared to non‐imprinted polymers (NIP). The Est‐imp‐poly(MWCNT‐GMA)‐Nafion/screen‐printed electrode (SPE) system was employed for analyzing wastewater samples. The current measurements taken at various concentrations in the wastewater consistently matched the E2 concentration calibration curve. The limit of detection (LoD) and limit of quantification (LoQ) were determined to be 0.042 and 0.12 μM, respectively. The biosensor demonstrated a linear working range from 0.12 to 50 μM, with a high correlation coefficient (R2 = 0.9927). These results highlight the potential of the developed biosensor for detecting E2 in real samples.
Tailoring N, N, N‐trimethyl chitosan nanospheres as an efficient drug carrier to overcome endothelial barrier
Authors: Lu Chao , Tang Howyn , Ouyang Jianying , Zhang Jin 
Published: September 2024

AbstractEndothelial barriers, integral components of tissue barriers, are densely packed with adherens junction and tight junction proteins, hindering the passage of drugs to target sites. Herein, a novel nanosphere comprising N, N, N‐trimethylated chitosan (TMC), with the size of 51 ± 8 nm and zeta potential of 13.2 ± 5.3 mV, has been engineered as a drug carrier to facilitate the transport of hydrophobic drugs, that is, curcumin, across endothelial barriers efficiently. The effects of pH value and temperature on the release kinetics of curcumin from TMC nanospheres have been studied. In addition, the transportation of TMC nanospheres across an in vitro endothelial barrier was evaluated over a 72‐h period. The integrity of the in vitro endothelial barrier was assessed before and after the transport of TMC nanospheres by using transepithelial electrical resistance measurements and immunofluorescence staining of tight junction proteins. The results reveal that TMC nanospheres significantly enhance the transport of curcumin across the endothelial barrier, with approximately 30% of curcumin released as compared to less than 3.3% across the barrier without the assistance of TMC nanospheres. This investigation underscores the potential of small‐sized TMC nanospheres to enhance the transport of hydrophobic drugs across endothelial barriers.
Constituent compatibility and physical properties of bio‐based EUG/EPDM blends
Authors: Yang Yunyi , Chen Shang , Li Youji , Yang Zhaoxia , Han Zhangying , Xia Haiqin , Shang Jiawei , Shao Yunzhe 
Published: September 2024

AbstractEucommia ulmoides gum (EUG)/ethylene propylene diene monomer (EPDM) blends were prepared using EUG with high and low molecular weight, respectively, and their physical properties and constituents compatibility were investigated. The blend exhibited superior physical properties and constituents compatibility when EUG with high molecular weight occupied 10 wt%. When its content increased further, the physical properties deteriorated gradually，the results of SEM, DSC, and DMA diagrams indicated poorer constituents compatibility. The blends prepared from EUG with low molecular weight can achieve better compatibility in a comprehensive range of blending ratio. When the EUG content was 20 wt%, the maximum tensile strength of the blend was observed, which was 49.9% higher than that of pure EPDM, its rebound resilience ascended by 5%, and the wear resistance remained nearly unchanged.
Automated Detection of Hillforts in Remote Sensing Imagery With Deep Multimodal Segmentation
Authors: Canedo Daniel , Fonte João , Dias Rita , do Pereiro Tiago , Gonçalves‐Seco Luís , Vázquez Marta , Georgieva Petia , Neves António J. R. 
Published: September 2024

ABSTRACTRecent advancements in remote sensing and artificial intelligence can potentially revolutionize the automated detection of archaeological sites. However, the challenging task of interpreting remote sensing imagery combined with the intricate shapes of archaeological sites can hinder the performance of computer vision systems. This work presents a computer vision system trained for efficient hillfort detection in remote sensing imagery. Equipped with an adapted multimodal semantic segmentation model, the system integrates LiDAR‐derived LRM images and aerial orthoimages for feature fusion, generating a binary mask pinpointing detected hillforts. Post‐processing includes margin and area filters to remove edge inferences and smaller anomalies. The resulting inferences are subjected to hard positive and negative mining, where expert archaeologists classify them to populate the training data with new samples for retraining the segmentation model. As the computer vision system is far more likely to encounter background images during its search, the training data are intentionally biased towards negative examples. This approach aims to reduce the number of false positives, typically seen when applying machine learning solutions to remote sensing imagery. Northwest Iberia experiments witnessed a drastic reduction in false positives, from 5678 to 40 after a single hard positive and negative mining iteration, yielding a 99.3% reduction, with a resulting F1 score of 66%. In England experiments, the system achieved a 59% F1 score when fine‐tuned and deployed countrywide. Its scalability to diverse archaeological sites is demonstrated by successfully detecting hillforts and other types of enclosures despite their typical complex and varied shapes. Future work will explore archaeological predictive modelling to identify regions with higher archaeological potential to focus the search, addressing processing time challenges.
Drug Binding and Delivery with Supramolecular System Based on Sodium Carboxymethylcellulose and Viologen Calix[4]resorcinol
Authors: Razuvayeva Yuliya , Kashapov Ruslan , Ziganshina Albina , Salnikov Vadim , Sapunova Anastasiia , Voloshina Alexandra , Zakharova Lucia 
Published: September 2024

AbstractIn the present work, a simple supramolecular approach was used to spontaneously form nanoparticles from sodium carboxymethylcellulose and viologen calix[4]resorcinol as a result of joint self‐assembly in water at room temperature. Supramolecular interactions between them led to the formation of nanoparticles, the morphology and properties of which depend on polymer/macrocycle ratio. When there is excess of macrocycle, the nanoparticles bind lipophilic oleic acid, and when there is excess of polymer, they bind hydrophilic doxorubicin. Interestingly, the solubilization of lipophilic quercetin into these nanoparticles was significantly increased compared to the pure polymer and macrocycle, regardless of their ratio. The nanoparticles of triple composition (polymer/macrocycle/drug) have a more effective penetration ability in tumorcells than those of double composition (polymer/drug). The presented results are the first step towards the creation of new nanotechnologies to improve the bioavailability and delivery of bioactive components.
Regional Shopping Objectives in British Grocery Retail Transactions Using Segmented Topic Models
Authors: Vega Carrasco Mariflor , Musolesi Mirco , O'Sullivan Jason , Prior Rosie , Manolopoulou Ioanna 
Published: September 2024

ABSTRACTUnderstanding the customer behaviours behind transactional data has high commercial value in the grocery retail industry. Customers generate millions of transactions every day, choosing and buying products to satisfy specific shopping needs. Product availability may vary geographically due to local demand and local supply, thus driving the importance of analysing transactions within their corresponding store and regional context. Topic models provide a powerful tool in the analysis of transactional data, identifying topics that display frequently‐bought‐together products and summarising transactions as mixtures of topics. We use the segmented topic model (STM) to capture customer behaviours that are nested within stores. STM not only provides topics and transaction summaries but also topical summaries at the store level that can be used to identify regional topics. We summarise the posterior distribution of STM by post‐processing multiple posterior samples and selecting semantic modes represented as recurrent topics, and employ Gaussian process regression to model topic prevalence across British territory while accounting for spatial autocorrelation. We implement our methods on a dataset of transactional data from a major UK grocery retailer and demonstrate that shopping behaviours may vary regionally and nearby stores tend to exhibit similar regional demand.
Integrating biochar production in biorefineries: towards a sustainable future and circular economy
Authors: Chettri Dixita , Boro Deepjyoti , Chirania Manisha , Verma Anil Kumar 
Published: September 2024

AbstractBiochar, a carbon‐rich material derived from organic biomass under low‐O2 conditions, has gained importance due to its role in mitigating climate change by sequestering carbon. It can be used as an alternative energy source and has applications in nutrient cycling, improving soil properties, and removing heavy metals and organic pollutants, thus contributing to sustainable agriculture and environmental remediation. In the face of alarming climate change, rising energy demand, and increasing pollution, the integration of biochar production into biorefineries is an important strategy to promote a sustainable and circular economy. Adopting a holistic approach to biomass utilization by developing strategies to maximize biochar production along with the production of other value‐added products while improving its quality can increase biorefineries' overall sustainability and efficiency. Fine‐tuning the biorefinery process from feedstock selection to co‐production, optimizing pyrolysis conditions, and integrating it with other technologies can help to achieve this goal while generating zero waste and diversified revenues. With the biochar market growing exponentially, further research into the long‐term impact of biochar on carbon sequestration and its application in the environment is the next step.
Catalytic evaluation of eggshell‐based calcium methoxide over Al2O3 for biodiesel generation from waste cooking oil
Authors: Camacho‐Valencia Fernando , Vázquez‐Rodríguez Gabriela , Tavizón‐Pozos J. Andrés 
Published: September 2024

AbstractShell‐derived materials are promising heterogeneous catalysts for biodiesel production due to their nontoxic and renewable nature, but they have the disadvantage of being highly leachable. To overcome this issue, Ca(OCH3)2 formed through the reaction of CaO with methanol, and supported in turn on Al2O3 is proposed as a catalytic system for the transesterification of fresh soybean oil and waste cooking oil (WCO). First, catalysts with several Al/Ca molar ratios (0.2, 0.5, and 0.8‐AC), as well as their precursors (CaO and Al2O3) alone, were tested at 60 °C, catalyst loading 6% wt, methanol‐to‐oil molar ratio (MOR) 10, for 1 h for fresh oil, and 3 h for WCO. The 0.2‐AC catalyst generated the highest biodiesel yield for both oils. The optimum operating conditions for WCO transesterification, determined by using a univariable approach, were 60 °C, 9 wt% catalyst loading, MOR of 12.5, and a reaction time of 3 h. These improved conditions led to yields higher than 90% for pure CaO and the 0.2, 0.5, and 0.8‐AC catalysts. The density, kinematic viscosity, and refractive index of the biodiesel obtained were measured.
Stock market reaction to mandatory sustainability reporting: Does carbon‐intensity and environmental, social, and governance reputation matter?
Authors: Pandey Dharen Kumar , Al‐ahdal Waleed M. , Hashim Hafiza Aishah 
Published: September 2024

AbstractWith a sample of 679 listed firms, integrating the event study method and cross‐sectional analysis, we examine the stock market reaction to mandatory sustainability reporting regulation in India. We find that (1) on average, investors react positively to such announcements; (2) the impact varies across different sectors; (3) affected and unaffected firms do not posit significant differences; (4) carbon‐intensive firms are positively impacted; and (5) high environmental, social, and governance (ESG) performance is negatively associated with the event‐induced cumulative abnormal returns (CAR). One standard deviation change in ESG leads to −0.77%, −0.45%, and −0.61% significant changes in [+1,+5], [−5,+5], and [−7,+7] CAR, respectively. The findings align with the value relevance idea and the reputational risk theory but contradict the reservoir of goodwill hypothesis.
Role of liquid–liquid phase separation in cancer: Mechanisms and therapeutic implications
Authors: Li Xuesong , Yu Zhuo 
Published: September 2024

AbstractLiquid–liquid phase separation (LLPS) has emerged as a pivotal biological phenomenon involved in various cellular processes, including the formation of membrane‐less organelles and the regulation of biomolecular condensates through precise spatiotemporal coordination of signaling pathways in cells. Dysregulation of LLPSs results in aberrant biomolecular condensates, which are widely implicated in tumorigenesis and cancer progression. Here, we comprehensively summarize the multifaceted roles of LLPS in tumor biology from the perspective of cancer hallmarks, including genomic stability, metabolic reprogramming progression, ferroptosis, and metastasis, to unveil the intricate mechanisms by which LLPS occurs in tumorigenesis. We discuss current discoveries related to therapeutic involvement and potential clinical applications of LLPS in cancer treatment, highlighting the potential of targeting LLPS‐driven processes as novel therapeutic strategies. Additionally, we discuss the challenges associated with new approaches for cancer treatment based on LLPS. This in‐depth discussion of the impact of LLPS on fundamental aspects of tumor biology provides new insights into overcoming cancer.
New Bis(pyrazolo[5,1‐b]quinazolines) and Bis(9H‐xanthenediones) Linked to Alkane Cores: One‐Pot Synthesis, Antibacterial Screening, and SAR Study
Authors: Mekky Ahmed E. M. , Sanad Sherif M. H. 
Published: September 2024

AbstractEffective one‐pot methods were used to synthesize some new alkane‐linked bis(pyrazolo[5,1‐b]quinazolines) and bis(9H‐xanthenediones). The first series was produced, in 80–88 % yields, via the reaction of one equivalent of the appropriate bis(aldehydes) with two equivalents of 1H‐pyrazole‐3,5‐diamine and dimedone in DMF at 150 °C for 5–6 h. The second series was prepared, in 82–89 % yields, via the reaction one equivalent of the appropriate bis(aldehydes) with four equivalents of dimedone in acetic acid at 120 °C for 4–5 h. The new products displayed a broad range of antibacterial activity against different bacterial strains. Generally, the antibacterial activity of the alkane‐linked bis(pyrazolo[5,1‐b]quinazoline) units is more than 2‐fold their bis(9H‐xanthenedione) analogues. The (p‐tolylthio)methyl)‐linked bis(pyrazolo[5,1‐b]quinazolines) demonstrate the best antibacterial activity with MIC/MBC values up to 3.3/6.6 μM.
Understanding Cytochrome P450 Enzyme Substrate Inhibition and Prospects for Elimination Strategies
Authors: Zhang Yisang , Zhang Guobin , Wang Taichang , Chen Yu , Wang Junqing , Li Piwu , Wang Ruiming , Su Jing 
Published: September 2024

AbstractCytochrome P450 (CYP450) enzymes, which are widely distributed and pivotal in various biochemical reactions, catalyze diverse processes such as hydroxylation, epoxidation, dehydrogenation, dealkylation, nitrification, and bond formation. These enzymes have been applied in drug metabolism, antibiotic production, bioremediation, and fine chemical synthesis. Recent research revealed that CYP450 catalytic kinetics deviated from the classic Michaelis–Menten model. A notable substrate inhibition phenomenon that affects the catalytic efficiency of CYP450 at high substrate concentrations was identified. However, the substrate inhibition of various reactions catalyzed by CYP450 enzymes have not been comprehensively reviewed. This review describes CYP450 substrate inhibition examples and atypical Michaelis–Menten kinetic models, and provides insight into mechanisms of these enzymes. We also reviewed 3D structure and dynamics of CYP450 with substrate binding. Outline methods for alleviating substrate inhibition in CYP450 and other enzymes, including traditional fermentation approaches and protein engineering modifications. The comprehensive analysis presented in this study lays the foundation for enhancing the catalytic efficiency of CYP450 by deregulating substrate inhibition.
Predictive action of oncomiR in suppressing TP53 signaling pathway in hypoxia‐conditioned colon cancer cell line HCT‐116
Authors: Susanti R. , Dafip Muchamad , Mustikaningtyas Dewi , Putra Agung 
Published: September 2024

AbstractHypoxia‐induced heterogeneity in colorectal cancer (CRC) significantly impacts patient survival by promoting chemoresistance. These conditions alter the regulation of miRNAs, key regulators of crucial processes like proliferation, apoptosis, and invasion, leading to tumor progression. Despite their promising potential as diagnostic and therapeutic targets, the underlying mechanisms by which miRNAs influence hypoxia‐mediated tumorigenesis remain largely unexplored. This study aims to elucidate the action of miRNAs in HCT‐116 colorectal cancer stem cells (CSCs) under hypoxia, providing valuable insights into their role in tumor adaptation and progression. MiRNA expression was determined using Nanostring nCounter, and bioinformatic analysis was performed to explain the molecular pathway. A total of 50 miRNAs were obtained with an average count of ≥ 20 reads for comparative expression analysis. The results showed that hypoxia‐affected 36 oncomiRs were increased in HCT‐116, and 14 suppressor‐miRs were increased in MSCs. The increase in miRNA expression occurred consistently from normoxia to hypoxia and significantly differed between mesenchymal stem cells (MSCs) and HCT‐116. Furthermore, miR‐16‐5p and miR‐29a‐3p were dominant in regulating the p53 signaling pathway, which is thought to be related to the escape mechanism against hypoxia and maintaining cell proliferation. More research with a genome‐transcriptome axis approach is needed to fully understand miRNAs’ role in adapting CRC cells and MSCs to hypoxia. Further research could focus on developing specific biomarkers for diagnosis. In addition, anti‐miR can be developed as a therapy to prevent cancer proliferation or inhibit the adaptation of cancer cells to hypoxia.
Comparative Electrocatalysis of Hydrogen Production and Oxidation: Technetium versus Rhenium Tris(thiolate) Complexes
Authors: Li Xuelian , Wang Yingke , Xu Cheng , Guo Zeyi , Lu Yazhu , Kong Deqing , Wang Junfei , Guan Jia , Tang Hao 
Published: September 2024

AbstractThe development of an efficient catalyst that can selectively activate and generate hydrogen molecules is in urgent demand. Inspired by the 5d rhenium‐tris(thiolate) complex that is capable of catalytically producing and oxidizing H2, the mechanisms of electrocatalytic H2 oxidation (HOR) and evolution (HER) catalyzed by the 4d technetium‐tri(thiolate) analogs, and [TcL3] (L = diphenylphosphinobenzenethiolate, a noninnocent ligand), were investigated by DFT calculations, aiming at elucidating the role of the metal in metal‐ligand cooperativity. DFT calculations anticipate high reactivity in both HOR and HER for [TcL3] beyond that of its Re counterparts. Substituting the Re metal for Tc in metal‐tris(thiolate) complexes results in a greater thiyl‐radical character in the Tc complex compared to that in Re. Even when both complexes evolve H2 with similar [ECEC] mechanisms, the proton relays behave with a distinct disparity, featuring the S ligand in the Tc species as compared to the metal‐hydride in Re. The HOR mechanism also bifurcates as [TcL3]2+ is predicted to mainly occur via the ligand‐based pathway, in contrast to the predominant metal and ligand‐based reactivity for Re. This study established the role of the metal in HER and HOR while emphasizing the utility of such metal‐DPPBT cooperativity in the catalytic process.
Hybrid Nanoparticles: Ni and Au Decorated with [FeFe]‐Hydrogenase Mimics
Authors: Aguado Sergio , Gallego‐Gamo Albert , Vicent Diego J. , Granados Albert , Mallón Laura , Gimbert‐Suriñach Carolina , García‐Antón Jordi , Casarrubios Luis , Vallribera Adelina , Sierra Miguel A. 
Published: September 2024

AbstractComplexes [(μ‐S₂C₂H₄NHR)Fe₂(CO)₆] (R = p‐C₆H₄‐OCO(CH₂)₉Br (3a); R = p‐C₆H₄‐OCO(CH₂)₈CH₃ (3b)) were used as stabilizing agents in the synthesis of Ni@3 and Au@3 nanoparticles (NPs), which are the first reported stable metallic NPs decorated with [(μ‐S₂C₂H₄NHR)Fe₂(CO)₆] moieties. Electrochemical analysis reveals that incorporating the hydrogenase mimic into the NPs lowers the overpotential and enhances proton reduction electrocatalytic activity in organic media. The NPs act similarly to the [Fe₄S₄] cluster in natural enzymes, functioning as an electron reservoir/relay.
Surface Nanojunction Enabled by Vapor‐Assisted π‐Conjugation Modification of Carbon Nitride for Enhanced Photocatalytic Water Splitting
Authors: Lin Xiaoxue , Peng Xiaoying , Wu Suqin , Ma Chen , Chen Dou , Peng Quanming , Yang Kai , Liu Fan , Yin Shungao , Peng Guiming 
Published: September 2024

AbstractThe unsatisfied visible light harvesting, slow charge separation, and limited practical surface area of carbon nitride (CN) constrain its performance in photocatalytic water splitting and environmental remediation. Herein, the thermal vapor‐assisted π‐conjugation modification of CN by grafting with p‐aminophenoxy groups was developed to tune the photophysical properties of CN to enhance its photocatalytic activity. Besides extending the light absorption, the surface modification constructed a nanojunction across the depth direction, which leads to facilitated charge separation and transfer. In addition, the thermal vapor modification process thermally etches and trims the pristine CN to be a highly holey structure, resulting to >10 times increase in specific surface area. Photocatalysis results showed that the obtained modified CN yielded hydrogen from photocatalytic water splitting at a rate of 7.82 mmol/g/h, over 7‐folds as that of pristine CN, with a quantum yield of 3.28% at 400 nm. The π‐conjugation modified CN also demonstrated enhanced photocatalytic environmental remediation application, exemplified by much faster photodegradation of tetracycline hydrochloride. This work provides the thermal vapor surface chemical modification of CN as a promising integrated pathway of multiple favorable photophysical properties toward efficient photocatalysis application.