bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mg‐Ion Conducting Gel Polymer Electrolyte Based on High Flash Point Solvent Adiponitrile for Magnesium Ion Batteries
Authors: Kumari Pratibha , Yadav Neetu , Hashmi S. A. 
Published: September 2024

ABSTRACTDue to some specific properties of adiponitrile (ADN) including high oxidative stability and high flash point, it is proposed as co‐solvent with an ionic liquid (IL) as a promising electrolyte solvent for application in magnesium batteries. Herein, we report a flexible film of gel polymer electrolyte (GPE) comprising a polymer poly(vinylidene fluoride‐co‐hexafluoropropylene) (PVdF‐HFP) in which a liquid electrolyte of Mg‐trifluoromethane sulfonate (Mg‐triflate) in the mixture of ADN:IL (1‐ethyl‐3‐methylimidazolium triflate, EMITf) is immobilized for use in Mg‐batteries. The structural/morphological properties of the GPE film have been characterized via different physical techniques. The high ionic conductivity (σRT = 5.9 mS cm−1), wide potential range of oxidative stability (~4.18 V vs. Mg/Mg2+), high Mg‐ion transport number (tMg2+ = 0.67) and thermal stability up to ~160°C ascertain the compatibility of electrolyte film in magnesium batteries with high voltage cathode materials. The comparative studies of the interfacial‐stability and Mg‐stripping/plating tests on the two symmetrical cells with Mg and Mg/MWCNTs nanocomposite electrodes show the improved reversibility of the electrolyte film with Mg‐MWCNTs powder as anode material, compared with pure Mg‐powder. The overall results indicate that the GPE based on binary solvent mixture ADN:IL is high performance flexible electrolyte for Mg‐batteries with Mg‐MWCNTs powder as anode material.
Unveiling the Neurocognitive Impact of Food Aroma Molecules on Pleasantness Perception: Insights From EEG and Key Brain LFT Activation
Authors: Ke Qinfei , Zhang Jingzhi , Huang Taicheng , Huang Xin , Li Qian , Lu Zhiguo , Kou Xingran 
Published: September 2024

ABSTRACTFood aroma molecules have the potential to influence people's emotions through the olfactory pathway and are anticipated to emerge as a new method for regulating emotional states, owing to their simplicity and high acceptance. Current research on food aroma predominantly centres on the physicochemical properties and formation mechanisms of aroma components, neglecting the effects of aroma molecules in emotional regulation. Moreover, the evaluation of pleasantness, a pivotal dimension of emotions, lacks objective assessment methods. In this study, sensory assessments of pleasantness for 12 aroma compounds were gathered from 45 subjects, and their correlation with the brain's activity responses in the left frontal‐temporal lobe (LFT) and right frontal‐temporal lobe (RFT) using electroencephalogram (EEG) signals was analysed. The results revealed a close relationship between brain activity in the LFT and the perception of aroma pleasantness. Furthermore, a substantial correlation was observed between the α, β and γ frequency bands in the LFT and the subjective pleasantness scores. These findings demonstrate that the LFT plays a critical role in evaluating the pleasantness of aroma molecules, and that changes in the power of the α, β and γ bands serve as important evaluation indicators. Consequently, this method offers a new objective means for assessing pleasantness to find higher pleasantness aroma molecules and the emotional regulation of food aroma.
Walnut extract protects against hepatic inflammation and toxicity induced by a high‐fat diet
Authors: Ali Gauhar , Zeb Alam , Usman Muhammad , Al‐Babili Salim 
Published: September 2024

AbstractA high‐fat diet (HFD) is one of the main causes of obesity and metabolic diseases. The liver is particularly affected by HFD causing metabolic dysfunction associated with fatty liver disease. Therefore, different strategies are used to mitigate the negative effects of HFD. This study aimed to assess the protective effects of walnut extract against HFD‐induced toxicity in mice. The mice were fed HFD and walnut extract alone or in combination. The walnut extract was analyzed for composition using high‐performance liquid chromatography with a diode array detector (HPLC‐DAD) and ultra‐high‐performance liquid chromatography with mass spectrometry (UHPLC–MS/MS). Serum lipid profile; liver histology; hepatic antioxidants such as catalase (CAT), superoxide dismutase (SOD), glutathione peroxidase (GSH‐Px), lipid peroxidation (TBARS), and reduced glutathione (GSH); inflammatory markers like IL‐6 and TNF‐α; and phospholipids were determined. Results showed that phenolic acids, epicatechin, catechin, benzaldehyde, and juglone were the main constituents in the extract. The HFD group showed increased hepatic fat accumulation as evidenced by biochemical and histopathological examinations compared to the control animals. The HFD group mice also showed increased body and cardiac weights, modified lipid profiles, decreased antioxidant status, and increased levels of hepatic inflammatory markers. The weights of the body and heart, lipid profiles, antioxidant contents (CAT, SOD, GSH‐Px, TBARS, and GSH), and pro‐inflammatory cytokines (IL‐6 and TNF‐α) were all normalized by consuming walnut extract. Similarly, the HFD group had significantly high amounts of hepatic lipase, phospholipid, and lysophospholipid levels, which were improved by walnut extract. In conclusion, walnut extract has been shown to play a unique role in promoting the recovery of liver damage caused by a high‐fat diet.
Analysis of volatile flavor compounds in Antarctic krill paste with different processing methods based on GC‐IMS
Authors: Jiang Pengfei , Liu Yang , Huang Jiabo , Fu Baoshang , Wang Kaihua , Xu Zhe 
Published: September 2024

AbstractIn this study, shrimp paste was prepared using Antarctic krill and fermented Antarctic krill shrimp paste as raw materials. Two commonly used heating methods, stir‐fried and steaming, were analyzed, the main difference between the two methods being that stir‐frying involves putting the shrimp paste into a wok and stir‐frying it for different periods of time, while steaming involves putting the shrimp paste into a steamer and steaming it for different periods of time. The effects of different salt concentrations and processing techniques on the volatile flavor compounds of shrimp paste were also observed. Electronic nose and gas chromatography–ion mobility spectrometry (GC‐IMS) were employed to analyze the volatile flavor compounds. A total of 52 volatile flavor compounds were detected by GC‐IMS, of which 38 were identified (including monomers, dimers, and polymers). The identified compounds included 11 aldehydes, 6 ketones, 14 alcohols, 2 esters, 2 acids, 1 pyridine compound, and 2 sulfur compounds. In addition, 14 compounds were identifiable. Using the results of the electronic nose analysis, we were also able to differentiate between the volatile flavor compounds in shrimp pastes produced by different processing methods.
Treatment of onion skin waste using dielectric barrier discharge cold plasma processing
Authors: Senguler Berna , Kirkin Celale , Donmez Hilal , Unal Senanur 
Published: September 2024

AbstractOnion skin constitutes a major part of industrial food waste, and cold plasma technology can be employed in the treatment of onion skin. Onion skin waste was ground and exposed to dielectric barrier discharge cold plasma (DBDCP) at 40 kV for 10 or 20 min. Samples that were not DBDCP treated were used as the control. The changes in the color, microbial load, total phenolic content (TPC), and antioxidant activity of the onion skin waste upon treatment were evaluated. An increase in the b* and C* values of the onion skin powder (OSP) was obtained after the DBDCP treatment. The DBDCP process also decreased the total mesophilic aerobic bacteria and yeast–mold counts of the OSP by up to 0.92 and 0.97 log cfu/g (colony‐forming units per gram), respectively. In addition, the TPC and antioxidant activity, as determined by 2,2‐diphenyl‐2‐picrylhydrazyl (DPPH) scavenging activity and ferric‐reducing antioxidant power (FRAP) methods, were increased for up to 59% and 28%, respectively, depending on the treatment time. In conclusion, the findings of the study show that using DBDCP processing in the treatment of onion skin waste can reduce microbial count while enhancing TPC and antioxidant activity.
Common and unique brain aging patterns between females and males quantified by large‐scale deep learning
Authors: Du Yuhui , Yuan Zhen , Sui Jing , Calhoun Vince D. 
Published: September 2024

AbstractThere has been extensive evidence that aging affects human brain function. However, there is no complete picture of what brain functional changes are mostly related to normal aging and how aging affects brain function similarly and differently between males and females. Based on resting‐state brain functional connectivity (FC) of 25,582 healthy participants (13,373 females) aged 49–76 years from the UK Biobank project, we employ deep learning with explainable AI to discover primary FCs related to progressive aging and reveal similarity and difference between females and males in brain aging. Using a nested cross‐validation scheme, we conduct 4200 deep learning models to classify all paired age groups on the main data for females and males separately and then extract gender‐common and gender‐specific aging‐related FCs. Next, we validate those FCs using additional 21,000 classifiers on the independent data. Our results support that aging results in reduced brain functional interactions for both females and males, primarily relating to the positive connectivity within the same functional domain and the negative connectivity between different functional domains. Regions linked to cognitive control show the most significant age‐related changes in both genders. Unique aging effects in males and females mainly involve the interaction between cognitive control and the default mode, vision, auditory, and frontoparietal domains. Results also indicate females exhibit faster brain functional changes than males. Overall, our study provides new evidence about common and unique patterns of brain aging in females and males.
Obstetric management for pregnant women with Klippel–Trenaunay syndrome: A UK case report and review of the literature
Authors: Silva Correia Inês F. , Hussain Munawar , Johnson Jo‐Anne 
Published: September 2024

AbstractKlippel–Trenaunay Syndrome (KTS) is a rare congenital vascular disorder characterized by extensive capillary and venous malformations that pose unique challenges during pregnancy. This case report discusses the successful management of a 34‐year‐old pregnant woman with KTS who had two caesarean sections, resulting in the birth of two healthy babies. Despite the lack of evidence‐based guidelines for obstetrical management in KTS, a multidisciplinary team collaborated to devise a high‐risk thrombosis management plan, involving the use of compression stocking and low molecular weight heparin prophylaxis. The patient's elevated risk of thrombosis, exacerbated during pregnancy, informed the decision of caesarean sections, aligning with finding that in most KTS pregnancies, this method of delivery based on obstetric indications and arteriovenous malformations is chosen. This case highlights the importance of systematic and patient‐centered care, advocating for comprehensive obstetric management guidelines to address the unique challenges posed by KTS during pregnancy. Further research is warranted to enhance our understanding and refine guidelines for individuals with vascular abnormalities linked to KTS.
Study of the hydraulic characteristics of an airfoil‐shaped weir trough measurement and control integrated facility combined with numerical simulation
Authors: Su Peng , Zhang Wenzheng , Lv Mouchao , Qin Jingtao , Sun Bin 
Published: September 2024

AbstractIn this study, an integrated measurement and control facility with an airfoil weir as the primary overcurrent structure is proposed by considering the flow characteristics over different shapes of weir trough facilities as well as the approach of merging measurement and control functions. The incomplete self‐similarity theory and dimensional analysis are used to derive the stage‐discharge relationship. The hydraulic characteristics of the facility under different shape‐related parameters, weir crest heights (rotation angles), and flows are studied by combining model testing and numerical simulation. The findings demonstrate that changes in shape‐ related parameters and rotation angle do not affect the linear relationship between the water depths in the critical and reference sections. The mean error in the discharge formula derived by dimensional analysis is 2%. The Froude number is less than 0.25 under all the working conditions. From the backwater height and head loss, it can be seen that the larger the P/C (the maximum airfoil thickness P to the chord length C ratio) value of the facility under the premise of unifying the weir crest height, the better the overflow capacity. When the height of the weir crest is 0.3778 m, the negative pressure on the surface of the airfoil weir increases with increasing P/C value.
Clinical applications, safety profiles, and future developments of contrast agents in modern radiology: A comprehensive review
Authors: Najjar Reabal 
Published: September 2024

AbstractContrast agents have transformed the field of medical imaging, significantly enhancing the visualisation of internal structures and improving diagnostic accuracy across X‐rays, computed tomography, magnetic resonance imaging (MRI), and ultrasound. This review explores the historical development, physicochemical properties, and mechanisms of action of iodinated, gadolinium‐based, barium sulfate, microbubble, and nanoparticle contrast agents. It highlights key advancements, including the transition from high‐osmolar to low‐ and iso‐osmolar iodinated agents, the integration of gadolinium in MRI, and the innovative use of microbubbles and nanoparticles. The review critically examines the safety profiles and adverse reactions of these contrast agents, categorising them into hypersensitivity and physiological reactions. It outlines risk factors, common misconceptions, and management strategies for adverse reactions, emphasising the importance of personalised approaches in clinical practice. Additionally, it delves into broader implications, including ethical considerations, environmental impact, and global accessibility of contrast media. The review also discusses technological advancements such as targeted contrast agents and the integration of artificial intelligence to optimise contrast dosage. By synthesising current knowledge and emerging trends, this review underscores the pivotal role of contrast agents in advancing medical imaging. It aims to equip clinicians, researchers, and policymakers with a thorough understanding to enhance diagnostic efficacy, ensure patient safety, and address ethical and environmental challenges, thereby informing future innovations and regulatory frameworks to promote equitable access to advanced imaging technologies globally.
Poetry unveiled: Multimodality and aesthetic responses as a fresh approach to teaching and reading verse
Authors: Ahn Claire , Minuk Alexandra 
Published: September 2024

AbstractIn secondary English classrooms, poetry is often a text that is least liked because it is viewed as being “inaccessible,” reserved for the elite, and/or too abstract. Part of the reason for this also lies in the traditional, colonial structures of introducing poetry such as relying on canonical texts and close reading analysis. Yet, outside of the classroom poetry is used in more accessible and engaging manners. With the advancements of technology, there also includes multimodal ways in which to read and write poetry that could be much more interesting for both educators and youth. This paper opens a discussion to consider multimodal and aesthetic responses to including poetry such as using digital apps like PhoneMe, a free accessible platform that allows users to post their written poems, record themselves reciting poems, and pin their poems directly on to an interactive digital map. The uniqueness of PhoneMe—a layered multimodal approach—can provide a more engaging way to teach and learn poetry.
Quantum chemical investigation of electronic transitions of mitorubrin azaphilones
Authors: Saalim Muhammad , Clark Benjamin R. , Taylor Peter R. 
Published: September 2024

AbstractFungal azaphilones are a broad class of naturally‐occurring pigments with diverse applications. Among the azaphilone pigments, mitorubrins are well recognized for their antiviral, antibacterial, antifungal, antiprotozoal, antidiabetic, and antiaging activities in addition to their well‐known yellow‐orange color. This makes these pigments interesting candidates for use in foods, as cosmetics, and as medicines. In particular, if it is desired to modify the properties of mitorubrin‐based pigments, for example by derivatization, it is essential to have an understanding of the electronic spectra of the parent molecules. We have therefore undertaken a computational study of a series of mitorubrins, comparing our computed results with experimental UV/visible spectra. Both density‐functional theory (DFT) and coupled‐cluster (CC2) methods have been used, and in general, the results are in very good agreement with observation. In order to provide a simple and useful picture of the spectra we analyze the stronger transitions in terms of natural transition orbitals (NTOs).
Enhancing protein‐ligand binding affinity prediction through sequential fusion of graph and convolutional neural networks
Authors: Yang Yimin , Zhang Ruiqin , Lin Zijing 
Published: September 2024

AbstractPredicting protein‐ligand binding affinity is a crucial and challenging task in structure‐based drug discovery. With the accumulation of complex structures and binding affinity data, various machine‐learning scoring functions, particularly those based on deep learning, have been developed for this task, exhibiting superiority over their traditional counterparts. A fusion model sequentially connecting a graph neural network (GNN) and a convolutional neural network (CNN) to predict protein‐ligand binding affinity is proposed in this work. In this model, the intermediate outputs of the GNN layers, as supplementary descriptors of atomic chemical environments at different levels, are concatenated with the input features of CNN. The model demonstrates a noticeable improvement in performance on CASF‐2016 benchmark compared to its constituent CNN models. The generalization ability of the model is evaluated by setting a series of thresholds for ligand extended‐connectivity fingerprint similarity or protein sequence similarity between the training and test sets. Masking experiment reveals that model can capture key interaction regions. Furthermore, the fusion model is applied to a virtual screening task for a novel target, PI5P4Kα. The fusion strategy significantly improves the ability of the constituent CNN model to identify active compounds. This work offers a novel approach to enhancing the accuracy of deep learning models in predicting binding affinity through fusion strategies.
Physiologically Based Pharmacokinetic Modeling of Vancomycin and its Comparison with Population Pharmacokinetic Model in Neonates
Authors: Cao Ailing , Li Qiaoxi , Han Minzhen , Liu Qian , Liang Heng , Tan Lu , Guan Yanping 
Published: September 2024

AbstractVancomycin has a narrow therapeutic window and a high inter‐individual pharmacokinetic variability, especially in neonates with fast maturational and pathophysiological changes, that needs individualized dosing. Physiologically based pharmacokinetic (PBPK) model and population pharmacokinetic (PopPK) model are both useful tools in model‐informed precision dosing, while the former is under research in application of vancomycin in neonates. This study aimed to develop a PBPK model of vancomycin in adult and pediatric population, and compared it with published PopPK model (priori or Bayesian method) in predicting vancomycin concentration in 230 neonatal patients (postmenstrual age, PMA, 25‐45 weeks). The developed PBPK model showed a good fit between predictions and observations. PBPK model and PopPK model are complementary in different clinical scenarios of vancomycin application. The physiological‐change description of PBPK model showed a superior advantage in initial dosing optimization. As for subsequent dose optimization, PopPK Bayesian forecasting performed better than the PBPK estimation in neonates. However, initial precision dosing tools for early neonates (with PMA < 36 weeks) still need further exploitation.
Phycoremediation: a path towards heavy metal bioremediation from wastewater
Authors: Agoun Naila Amel , Avci Fatma Gizem 
Published: September 2024

AbstractHeavy metals (HMs) have emerged as a significant and complex water pollution problem globally. These pollutants are particularly concerning due to their teratogenic, mutagenic, poisonous and carcinogenic properties, as well as their non‐biodegradability. Traditional removal techniques often fall short in addressing these issues, leading to a search for more effective solutions. One promising alternative is the phycoremediation process, which employs microalgae to remove HMs from wastewater. This method is not only cost‐effective but also environmentally friendly, offering the additional benefits of nutrient recovery from polluted water and conversion into value‐added products. This review delves into the capabilities of microalgae in remediating HM‐polluted water, examining the various factors and methods that affect the process. Key improvements that can enhance the efficiency of phycoremediation include immobilizing microalgae to increase their stability and longevity, utilizing binary cultures to harness synergistic effects and implementing cellular and genetic modifications to boost HM uptake and resilience. Moreover, the integration of algorithms and artificial intelligence can optimize phycoremediation processes by predicting and controlling environmental conditions, enhancing the precision and effectiveness of HM removal. The combination of these advanced strategies holds promise for overcoming the limitations of conventional methods, positioning phycoremediation as a viable solution for mitigating HM contamination in water bodies. © 2024 The Author(s). Journal of Chemical Technology and Biotechnology published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry (SCI).